smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408172895 1165500552 /nfs/dbraw/zinc/50/05/52/1165500552.db2.gz IWSZLRDFUZCIOZ-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229220 782731428 /nfs/dbraw/zinc/73/14/28/782731428.db2.gz HSDUSSNCDFQPKV-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)C[C@H]1C ZINC001106874934 783021619 /nfs/dbraw/zinc/02/16/19/783021619.db2.gz ZSRSSGUEQKHPGK-HUUCEWRRSA-N 2 1 318.465 2.338 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383155 783060814 /nfs/dbraw/zinc/06/08/14/783060814.db2.gz WVUVNMPSDQFJEA-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383155 783060819 /nfs/dbraw/zinc/06/08/19/783060819.db2.gz WVUVNMPSDQFJEA-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383155 783060825 /nfs/dbraw/zinc/06/08/25/783060825.db2.gz WVUVNMPSDQFJEA-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947494539 783151860 /nfs/dbraw/zinc/15/18/60/783151860.db2.gz ZBRYDXMFEQHOPE-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035701 790409420 /nfs/dbraw/zinc/40/94/20/790409420.db2.gz OYRNRXSRFJGSIS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125547 790472322 /nfs/dbraw/zinc/47/23/22/790472322.db2.gz AKMJLLPFGFKBTF-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351894 776942008 /nfs/dbraw/zinc/94/20/08/776942008.db2.gz RAWBPIFYOGMHFB-UHFFFAOYSA-N 2 1 318.465 2.459 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355084 777112551 /nfs/dbraw/zinc/11/25/51/777112551.db2.gz MVAFZCKGODBDCP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167627206 777406615 /nfs/dbraw/zinc/40/66/15/777406615.db2.gz LZUDKAJRYLEHFQ-CQSZACIVSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104777583 778173515 /nfs/dbraw/zinc/17/35/15/778173515.db2.gz QXDUGWWHKTZANX-BZUAXINKSA-N 2 1 318.465 2.239 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013808 778297125 /nfs/dbraw/zinc/29/71/25/778297125.db2.gz VFPNPCNPZIKVGX-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP [NH2+]=C(NCCCC[NH3+])Nc1cc(/C=N/O)cc(C(F)(F)F)c1 ZINC001167882795 778747006 /nfs/dbraw/zinc/74/70/06/778747006.db2.gz XPAZTBQPDUMGPS-DNTJNYDQSA-N 2 1 317.315 2.189 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460706 790669458 /nfs/dbraw/zinc/66/94/58/790669458.db2.gz KKWQRIYHBFIQSZ-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460677 790669594 /nfs/dbraw/zinc/66/95/94/790669594.db2.gz IGJBIMLJTLADOE-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705610 /nfs/dbraw/zinc/70/56/10/779705610.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705617 /nfs/dbraw/zinc/70/56/17/779705617.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107114 779705625 /nfs/dbraw/zinc/70/56/25/779705625.db2.gz HMEVEGIRMASBHY-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323396 779952091 /nfs/dbraw/zinc/95/20/91/779952091.db2.gz NDIWDDHPTYCXGA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041690 /nfs/dbraw/zinc/04/16/90/780041690.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041698 /nfs/dbraw/zinc/04/16/98/780041698.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876226 780041705 /nfs/dbraw/zinc/04/17/05/780041705.db2.gz MSMYUOCIOKNNKB-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518095 780731220 /nfs/dbraw/zinc/73/12/20/780731220.db2.gz QMFHMVUTAVVLGU-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947937041 783273700 /nfs/dbraw/zinc/27/37/00/783273700.db2.gz ZWYSFDOZGJWQEC-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901799 784192989 /nfs/dbraw/zinc/19/29/89/784192989.db2.gz NHFWOEIAPDEUHT-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855777 784620996 /nfs/dbraw/zinc/62/09/96/784620996.db2.gz AHHZILIVDMBILG-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855777 784621003 /nfs/dbraw/zinc/62/10/03/784621003.db2.gz AHHZILIVDMBILG-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928583 784657460 /nfs/dbraw/zinc/65/74/60/784657460.db2.gz OYHHSSVDPDCXCV-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928583 784657466 /nfs/dbraw/zinc/65/74/66/784657466.db2.gz OYHHSSVDPDCXCV-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928583 784657472 /nfs/dbraw/zinc/65/74/72/784657472.db2.gz OYHHSSVDPDCXCV-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086455989 784748201 /nfs/dbraw/zinc/74/82/01/784748201.db2.gz MNKROHHBLPGNLN-JFIYKMOQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334945 784890857 /nfs/dbraw/zinc/89/08/57/784890857.db2.gz YDYSNHPBWMOHHJ-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751407 784991953 /nfs/dbraw/zinc/99/19/53/784991953.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751407 784991959 /nfs/dbraw/zinc/99/19/59/784991959.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751407 784991962 /nfs/dbraw/zinc/99/19/62/784991962.db2.gz ZHGBGKNCLDFXOX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725482 785510920 /nfs/dbraw/zinc/51/09/20/785510920.db2.gz BGYBZOUMBNLMDQ-BBWFWOEESA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831696 785559348 /nfs/dbraw/zinc/55/93/48/785559348.db2.gz IZWDBBOEZPUMIR-KKUMJFAQSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109463939 785888235 /nfs/dbraw/zinc/88/82/35/785888235.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463939 785888244 /nfs/dbraw/zinc/88/82/44/785888244.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463939 785888255 /nfs/dbraw/zinc/88/82/55/785888255.db2.gz DRXGLQONLLHDIE-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966295 786333643 /nfs/dbraw/zinc/33/36/43/786333643.db2.gz WKVOAHNCZLBLQH-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001113546785 786677140 /nfs/dbraw/zinc/67/71/40/786677140.db2.gz LKKZGASHQDPYPF-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682931 786758826 /nfs/dbraw/zinc/75/88/26/786758826.db2.gz YRHDZWFWSBMBGS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060041 786882185 /nfs/dbraw/zinc/88/21/85/786882185.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060041 786882195 /nfs/dbraw/zinc/88/21/95/786882195.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060041 786882198 /nfs/dbraw/zinc/88/21/98/786882198.db2.gz RMFQHMGBEQIZTM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130189586 787310023 /nfs/dbraw/zinc/31/00/23/787310023.db2.gz QGKBUDJCKDJZFR-DLBZAZTESA-N 2 1 307.482 2.456 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207822 787965243 /nfs/dbraw/zinc/96/52/43/787965243.db2.gz XJTRXHFJYLETTO-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207822 787965252 /nfs/dbraw/zinc/96/52/52/787965252.db2.gz XJTRXHFJYLETTO-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207822 787965259 /nfs/dbraw/zinc/96/52/59/787965259.db2.gz XJTRXHFJYLETTO-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097106033 787982211 /nfs/dbraw/zinc/98/22/11/787982211.db2.gz NZCLPRCPPCKLAD-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097106033 787982217 /nfs/dbraw/zinc/98/22/17/787982217.db2.gz NZCLPRCPPCKLAD-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097106033 787982220 /nfs/dbraw/zinc/98/22/20/787982220.db2.gz NZCLPRCPPCKLAD-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517356 788107730 /nfs/dbraw/zinc/10/77/30/788107730.db2.gz BGOXFWVKCSUPED-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004725 788250177 /nfs/dbraw/zinc/25/01/77/788250177.db2.gz IORBKJYSYJFVEY-INIZCTEOSA-N 2 1 318.465 2.206 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121760 788288040 /nfs/dbraw/zinc/28/80/40/788288040.db2.gz KZCCXBPCCGAPPL-DLBZAZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166304 788304504 /nfs/dbraw/zinc/30/45/04/788304504.db2.gz SIZJFLHPYMMNFY-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP NC(=O)c1ccc(C(=[NH2+])Nc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC001171257087 791165160 /nfs/dbraw/zinc/16/51/60/791165160.db2.gz QBJQAQVOUKRPOW-UHFFFAOYSA-N 2 1 323.400 2.208 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706223 791344079 /nfs/dbraw/zinc/34/40/79/791344079.db2.gz BNXNABLZNJIVMJ-IRXDYDNUSA-N 2 1 315.461 2.015 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706223 791344084 /nfs/dbraw/zinc/34/40/84/791344084.db2.gz BNXNABLZNJIVMJ-IRXDYDNUSA-N 2 1 315.461 2.015 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147725072 791607177 /nfs/dbraw/zinc/60/71/77/791607177.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147725072 791607184 /nfs/dbraw/zinc/60/71/84/791607184.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001147725072 791607195 /nfs/dbraw/zinc/60/71/95/791607195.db2.gz RIMJEXCCHQQEBO-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091673077 791686389 /nfs/dbraw/zinc/68/63/89/791686389.db2.gz XZOMBXOZSDWJOE-APWZRJJASA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285464 791729308 /nfs/dbraw/zinc/72/93/08/791729308.db2.gz SNMFTSDAARGLIH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458395 791750238 /nfs/dbraw/zinc/75/02/38/791750238.db2.gz PPLMCRPHAVBFJZ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458395 791750239 /nfs/dbraw/zinc/75/02/39/791750239.db2.gz PPLMCRPHAVBFJZ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458395 791750242 /nfs/dbraw/zinc/75/02/42/791750242.db2.gz PPLMCRPHAVBFJZ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477588 791753277 /nfs/dbraw/zinc/75/32/77/791753277.db2.gz YULNXONQERIEJO-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748380 791799896 /nfs/dbraw/zinc/79/98/96/791799896.db2.gz QKXUBBZWLREXCS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748380 791799901 /nfs/dbraw/zinc/79/99/01/791799901.db2.gz QKXUBBZWLREXCS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748380 791799904 /nfs/dbraw/zinc/79/99/04/791799904.db2.gz QKXUBBZWLREXCS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758656 791813504 /nfs/dbraw/zinc/81/35/04/791813504.db2.gz HOEGNYKMEFUXJD-AOIWGVFYSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780500 791886472 /nfs/dbraw/zinc/88/64/72/791886472.db2.gz MZPKRTFXCIAMFV-NUJGCVRESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013195 791922683 /nfs/dbraw/zinc/92/26/83/791922683.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013195 791922689 /nfs/dbraw/zinc/92/26/89/791922689.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013195 791922694 /nfs/dbraw/zinc/92/26/94/791922694.db2.gz LNBVBLXMBSEOFK-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110907 792100754 /nfs/dbraw/zinc/10/07/54/792100754.db2.gz LTNKYUJRQOIWQI-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110907 792100757 /nfs/dbraw/zinc/10/07/57/792100757.db2.gz LTNKYUJRQOIWQI-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110907 792100761 /nfs/dbraw/zinc/10/07/61/792100761.db2.gz LTNKYUJRQOIWQI-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099162851 792122315 /nfs/dbraw/zinc/12/23/15/792122315.db2.gz XPSRWKNGSOTKRS-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001099162851 792122322 /nfs/dbraw/zinc/12/23/22/792122322.db2.gz XPSRWKNGSOTKRS-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093225274 792294279 /nfs/dbraw/zinc/29/42/79/792294279.db2.gz JZNNCJBQGMJNIA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093225274 792294287 /nfs/dbraw/zinc/29/42/87/792294287.db2.gz JZNNCJBQGMJNIA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093225274 792294301 /nfs/dbraw/zinc/29/43/01/792294301.db2.gz JZNNCJBQGMJNIA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980799 792954593 /nfs/dbraw/zinc/95/45/93/792954593.db2.gz GOMPYLWHPSEBLW-CGZBRXJRSA-N 2 1 309.498 2.393 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585472 793012765 /nfs/dbraw/zinc/01/27/65/793012765.db2.gz XLPDVXGUZCHCRJ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585472 793012772 /nfs/dbraw/zinc/01/27/72/793012772.db2.gz XLPDVXGUZCHCRJ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585472 793012783 /nfs/dbraw/zinc/01/27/83/793012783.db2.gz XLPDVXGUZCHCRJ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472224 793625711 /nfs/dbraw/zinc/62/57/11/793625711.db2.gz PJLRYNCECXXZJE-KURKYZTESA-N 2 1 321.509 2.060 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520882 793639397 /nfs/dbraw/zinc/63/93/97/793639397.db2.gz GEGQCCZCADHENB-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443713 794093484 /nfs/dbraw/zinc/09/34/84/794093484.db2.gz IIPNUFRFYKLGES-ZACQAIPSSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755484 794214648 /nfs/dbraw/zinc/21/46/48/794214648.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755484 794214651 /nfs/dbraw/zinc/21/46/51/794214651.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755484 794214655 /nfs/dbraw/zinc/21/46/55/794214655.db2.gz IRBBSAUEPBHJKO-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528986 794231647 /nfs/dbraw/zinc/23/16/47/794231647.db2.gz OSNQGZVORGJASJ-OAHLLOKOSA-N 2 1 306.454 2.457 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760104 794498558 /nfs/dbraw/zinc/49/85/58/794498558.db2.gz QAXPKXOPVGGYEG-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111904485 794521391 /nfs/dbraw/zinc/52/13/91/794521391.db2.gz GGFGZIMQVKLBCW-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111904485 794521396 /nfs/dbraw/zinc/52/13/96/794521396.db2.gz GGFGZIMQVKLBCW-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111904485 794521403 /nfs/dbraw/zinc/52/14/03/794521403.db2.gz GGFGZIMQVKLBCW-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267575 794629115 /nfs/dbraw/zinc/62/91/15/794629115.db2.gz SOHJHFIXZRQQEQ-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483538 794935003 /nfs/dbraw/zinc/93/50/03/794935003.db2.gz CLTFCSFNNGXJME-ROUUACIJSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001178752169 794988197 /nfs/dbraw/zinc/98/81/97/794988197.db2.gz ITLACQAPILSDCT-HUUCEWRRSA-N 2 1 304.438 2.356 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440899 795460953 /nfs/dbraw/zinc/46/09/53/795460953.db2.gz UXJMUOQBGQOBES-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470195 795467242 /nfs/dbraw/zinc/46/72/42/795467242.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470195 795467248 /nfs/dbraw/zinc/46/72/48/795467248.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470195 795467251 /nfs/dbraw/zinc/46/72/51/795467251.db2.gz PAYWHMNJAZKNNG-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623284 795713559 /nfs/dbraw/zinc/71/35/59/795713559.db2.gz GFOPKAKTKNHHNV-VQIMIIECSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614984 795722308 /nfs/dbraw/zinc/72/23/08/795722308.db2.gz SXYYUJLYKIKEOH-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055678 795722538 /nfs/dbraw/zinc/72/25/38/795722538.db2.gz GJMIIVHLFZLTPS-KZIPQDEESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177689 795733357 /nfs/dbraw/zinc/73/33/57/795733357.db2.gz IEYJHAHBTVOECJ-XLWKGDHDSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145931 796632452 /nfs/dbraw/zinc/63/24/52/796632452.db2.gz RMCDASHNGPANCG-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963327 796747450 /nfs/dbraw/zinc/74/74/50/796747450.db2.gz OHZNSMNEEMCKKN-IXDOHACOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660810 796868126 /nfs/dbraw/zinc/86/81/26/796868126.db2.gz XZWQXSDIKIJWDI-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660810 796868130 /nfs/dbraw/zinc/86/81/30/796868130.db2.gz XZWQXSDIKIJWDI-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660810 796868137 /nfs/dbraw/zinc/86/81/37/796868137.db2.gz XZWQXSDIKIJWDI-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870724 796894970 /nfs/dbraw/zinc/89/49/70/796894970.db2.gz DLAZCXOGTXWTDT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247920 796966906 /nfs/dbraw/zinc/96/69/06/796966906.db2.gz UNGTXUCHLJZCBN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247920 796966908 /nfs/dbraw/zinc/96/69/08/796966908.db2.gz UNGTXUCHLJZCBN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247920 796966910 /nfs/dbraw/zinc/96/69/10/796966910.db2.gz UNGTXUCHLJZCBN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190247919 796967770 /nfs/dbraw/zinc/96/77/70/796967770.db2.gz UNGTXUCHLJZCBN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247919 796967775 /nfs/dbraw/zinc/96/77/75/796967775.db2.gz UNGTXUCHLJZCBN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190247919 796967778 /nfs/dbraw/zinc/96/77/78/796967778.db2.gz UNGTXUCHLJZCBN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324776 796981140 /nfs/dbraw/zinc/98/11/40/796981140.db2.gz OMFCFVVWCNSOGD-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526421 797018433 /nfs/dbraw/zinc/01/84/33/797018433.db2.gz UJPZFIIITTZGDV-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742186 797067410 /nfs/dbraw/zinc/06/74/10/797067410.db2.gz BNAZBMNSBNMIOF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190742186 797067418 /nfs/dbraw/zinc/06/74/18/797067418.db2.gz BNAZBMNSBNMIOF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190742186 797067422 /nfs/dbraw/zinc/06/74/22/797067422.db2.gz BNAZBMNSBNMIOF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633444 797233179 /nfs/dbraw/zinc/23/31/79/797233179.db2.gz QTEQTDKZJLKUHT-HZPDHXFCSA-N 2 1 304.438 2.161 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387515 797332566 /nfs/dbraw/zinc/33/25/66/797332566.db2.gz FLTCTCNQNVWCRF-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916917 797470619 /nfs/dbraw/zinc/47/06/19/797470619.db2.gz GTSGWJHLASMGHP-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389334 797557610 /nfs/dbraw/zinc/55/76/10/797557610.db2.gz BCZBEXKYLPHBSV-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389334 797557614 /nfs/dbraw/zinc/55/76/14/797557614.db2.gz BCZBEXKYLPHBSV-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389334 797557615 /nfs/dbraw/zinc/55/76/15/797557615.db2.gz BCZBEXKYLPHBSV-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883930 797874185 /nfs/dbraw/zinc/87/41/85/797874185.db2.gz RBSSRZXLWQLWGW-SJORKVTESA-N 2 1 309.498 2.203 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C)CC1 ZINC001157092063 798142225 /nfs/dbraw/zinc/14/22/25/798142225.db2.gz IHJPWBIYUYHFON-QGZVFWFLSA-N 2 1 319.493 2.124 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477223 798192970 /nfs/dbraw/zinc/19/29/70/798192970.db2.gz DJSNEBKZESHKGS-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702428 798262296 /nfs/dbraw/zinc/26/22/96/798262296.db2.gz SQHIXLNGSPZLSR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702428 798262300 /nfs/dbraw/zinc/26/23/00/798262300.db2.gz SQHIXLNGSPZLSR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702428 798262302 /nfs/dbraw/zinc/26/23/02/798262302.db2.gz SQHIXLNGSPZLSR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364460 798321837 /nfs/dbraw/zinc/32/18/37/798321837.db2.gz VFPHWMDLTLCTBI-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158781411 798468639 /nfs/dbraw/zinc/46/86/39/798468639.db2.gz QEEPUNYCDKARGE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781411 798468643 /nfs/dbraw/zinc/46/86/43/798468643.db2.gz QEEPUNYCDKARGE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781411 798468645 /nfs/dbraw/zinc/46/86/45/798468645.db2.gz QEEPUNYCDKARGE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2c1ccn2C ZINC001159921205 798626247 /nfs/dbraw/zinc/62/62/47/798626247.db2.gz IUKVLQSHFYTEDS-AWEZNQCLSA-N 2 1 316.405 2.212 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577800 798652754 /nfs/dbraw/zinc/65/27/54/798652754.db2.gz HHSBIWZDXSVTRP-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643316 798660825 /nfs/dbraw/zinc/66/08/25/798660825.db2.gz BKMDKGYNVVKLNF-OAHLLOKOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644516 798666358 /nfs/dbraw/zinc/66/63/58/798666358.db2.gz NRTITKJKEBRGBH-HNNXBMFYSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)CCC=C)CC1 ZINC001201094998 798711975 /nfs/dbraw/zinc/71/19/75/798711975.db2.gz ZLGNZULGSWDPNJ-AEFFLSMTSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)CCC=C)CC1 ZINC001201094998 798711980 /nfs/dbraw/zinc/71/19/80/798711980.db2.gz ZLGNZULGSWDPNJ-AEFFLSMTSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986027 798774789 /nfs/dbraw/zinc/77/47/89/798774789.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986027 798774793 /nfs/dbraw/zinc/77/47/93/798774793.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986027 798774796 /nfs/dbraw/zinc/77/47/96/798774796.db2.gz KYCNZTKIHVLOGP-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161214251 798811698 /nfs/dbraw/zinc/81/16/98/798811698.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161214251 798811702 /nfs/dbraw/zinc/81/17/02/798811702.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161214251 798811705 /nfs/dbraw/zinc/81/17/05/798811705.db2.gz WBKBBCYCHLODMG-MRXNPFEDSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501071 799610303 /nfs/dbraw/zinc/61/03/03/799610303.db2.gz QEWPGVZSOBSDLD-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001095625070 799675202 /nfs/dbraw/zinc/67/52/02/799675202.db2.gz XWFGYXBQPUWAFH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001095625070 799675204 /nfs/dbraw/zinc/67/52/04/799675204.db2.gz XWFGYXBQPUWAFH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001095625070 799675210 /nfs/dbraw/zinc/67/52/10/799675210.db2.gz XWFGYXBQPUWAFH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001095625070 799675221 /nfs/dbraw/zinc/67/52/21/799675221.db2.gz XWFGYXBQPUWAFH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001165545284 799743588 /nfs/dbraw/zinc/74/35/88/799743588.db2.gz KJGAYMQWPGMIAQ-IRXDYDNUSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](C)CC)CC1 ZINC001165545284 799743591 /nfs/dbraw/zinc/74/35/91/799743591.db2.gz KJGAYMQWPGMIAQ-IRXDYDNUSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641231 800098216 /nfs/dbraw/zinc/09/82/16/800098216.db2.gz PQWSCCSHPBSDEL-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651173 800099067 /nfs/dbraw/zinc/09/90/67/800099067.db2.gz LWQVCIVBHDTMDB-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649318 800099350 /nfs/dbraw/zinc/09/93/50/800099350.db2.gz AJRCLHOOMXRZRH-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284186 800336863 /nfs/dbraw/zinc/33/68/63/800336863.db2.gz KAWWESATAZHOFN-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461893 800360030 /nfs/dbraw/zinc/36/00/30/800360030.db2.gz RPEPZAQNWHGYAW-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288512 800502483 /nfs/dbraw/zinc/50/24/83/800502483.db2.gz UNEYJKWFINOZBK-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](C)CC1)CCO2 ZINC001207397365 800743377 /nfs/dbraw/zinc/74/33/77/800743377.db2.gz KDSQNSLESRCOLB-RBUKOAKNSA-N 2 1 322.493 2.402 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073960 800906621 /nfs/dbraw/zinc/90/66/21/800906621.db2.gz QYYLQAKLOVPXFJ-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330941 800956619 /nfs/dbraw/zinc/95/66/19/800956619.db2.gz IBCACMNOLGCKGX-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335517 800957319 /nfs/dbraw/zinc/95/73/19/800957319.db2.gz UYLRHKQFCQNASP-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C\CC)C1 ZINC001208352622 800962435 /nfs/dbraw/zinc/96/24/35/800962435.db2.gz JYTMYDXEKSMHPO-SLXDBMQSSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C\CC)C1 ZINC001208352622 800962438 /nfs/dbraw/zinc/96/24/38/800962438.db2.gz JYTMYDXEKSMHPO-SLXDBMQSSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950268 801312024 /nfs/dbraw/zinc/31/20/24/801312024.db2.gz DMKZEYRUMIWQDB-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230035961 801353413 /nfs/dbraw/zinc/35/34/13/801353413.db2.gz ZCKOVZVCHXHZQE-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262904 801378037 /nfs/dbraw/zinc/37/80/37/801378037.db2.gz XMRCGOKMBXLZSV-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211270248 801540370 /nfs/dbraw/zinc/54/03/70/801540370.db2.gz YXSQCDAOZYNFBT-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611186 801739206 /nfs/dbraw/zinc/73/92/06/801739206.db2.gz SGTHUQJHTGGYHQ-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777155 802612781 /nfs/dbraw/zinc/61/27/81/802612781.db2.gz UUQXWRJNPXUBSX-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221920714 802627111 /nfs/dbraw/zinc/62/71/11/802627111.db2.gz SEAMMBXWESCSQJ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920714 802627114 /nfs/dbraw/zinc/62/71/14/802627114.db2.gz SEAMMBXWESCSQJ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920714 802627116 /nfs/dbraw/zinc/62/71/16/802627116.db2.gz SEAMMBXWESCSQJ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489275 802795139 /nfs/dbraw/zinc/79/51/39/802795139.db2.gz LPVGJSXOPQAINX-SQNIBIBYSA-N 2 1 319.493 2.053 20 30 DEEDMP C[NH+](C)CC[C@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccccc1 ZINC001224133224 802839820 /nfs/dbraw/zinc/83/98/20/802839820.db2.gz KDZQJVSWHQFABA-UIFYRBHJSA-N 2 1 316.445 2.308 20 30 DEEDMP C[NH+](C)CC[C@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224133224 802839825 /nfs/dbraw/zinc/83/98/25/802839825.db2.gz KDZQJVSWHQFABA-UIFYRBHJSA-N 2 1 316.445 2.308 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226772925 803156217 /nfs/dbraw/zinc/15/62/17/803156217.db2.gz AIHGSJQHJNXKRI-OAGGEKHMSA-N 2 1 316.449 2.354 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001330668317 1149245567 /nfs/dbraw/zinc/24/55/67/1149245567.db2.gz UDJLVVOXPFUKPU-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001328097743 1148719099 /nfs/dbraw/zinc/71/90/99/1148719099.db2.gz IMZZICVKAMRRKJ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097743 1148719109 /nfs/dbraw/zinc/71/91/09/1148719109.db2.gz IMZZICVKAMRRKJ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097743 1148719115 /nfs/dbraw/zinc/71/91/15/1148719115.db2.gz IMZZICVKAMRRKJ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001328097739 1148718820 /nfs/dbraw/zinc/71/88/20/1148718820.db2.gz IMZZICVKAMRRKJ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097739 1148718832 /nfs/dbraw/zinc/71/88/32/1148718832.db2.gz IMZZICVKAMRRKJ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097739 1148718844 /nfs/dbraw/zinc/71/88/44/1148718844.db2.gz IMZZICVKAMRRKJ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001368377875 1148428110 /nfs/dbraw/zinc/42/81/10/1148428110.db2.gz COGIZQPOKGHPDG-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001368377875 1148428114 /nfs/dbraw/zinc/42/81/14/1148428114.db2.gz COGIZQPOKGHPDG-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001499985412 1058416367 /nfs/dbraw/zinc/41/63/67/1058416367.db2.gz RXFYGVMRXMHHTE-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001501425081 1059504934 /nfs/dbraw/zinc/50/49/34/1059504934.db2.gz STEVERMJKCTLRI-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001501425081 1059504955 /nfs/dbraw/zinc/50/49/55/1059504955.db2.gz STEVERMJKCTLRI-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001501425081 1059504974 /nfs/dbraw/zinc/50/49/74/1059504974.db2.gz STEVERMJKCTLRI-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001501425081 1059504994 /nfs/dbraw/zinc/50/49/94/1059504994.db2.gz STEVERMJKCTLRI-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001502134976 1059980631 /nfs/dbraw/zinc/98/06/31/1059980631.db2.gz DRGBKUUVUNBURW-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479307495 1061378754 /nfs/dbraw/zinc/37/87/54/1061378754.db2.gz NFSRDIUDAZBNCG-BBWFWOEESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479565857 1061507090 /nfs/dbraw/zinc/50/70/90/1061507090.db2.gz VZUVRFXXUVWHTD-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448608 /nfs/dbraw/zinc/44/86/08/1062448608.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448611 /nfs/dbraw/zinc/44/86/11/1062448611.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001506866309 1062448616 /nfs/dbraw/zinc/44/86/16/1062448616.db2.gz ULSQLFHMUJAJLW-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385271 1062772369 /nfs/dbraw/zinc/77/23/69/1062772369.db2.gz ZMCANHLFJYEELH-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387904 1062777765 /nfs/dbraw/zinc/77/77/65/1062777765.db2.gz UVSVOZNXXWVCNR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001480728942 1063260487 /nfs/dbraw/zinc/26/04/87/1063260487.db2.gz BRDGHSDZAWOYCK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001480728942 1063260504 /nfs/dbraw/zinc/26/05/04/1063260504.db2.gz BRDGHSDZAWOYCK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001480728942 1063260519 /nfs/dbraw/zinc/26/05/19/1063260519.db2.gz BRDGHSDZAWOYCK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001480728942 1063260532 /nfs/dbraw/zinc/26/05/32/1063260532.db2.gz BRDGHSDZAWOYCK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480738529 1063268978 /nfs/dbraw/zinc/26/89/78/1063268978.db2.gz GJOKZNPEJNPFBF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480738529 1063268998 /nfs/dbraw/zinc/26/89/98/1063268998.db2.gz GJOKZNPEJNPFBF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480738529 1063269019 /nfs/dbraw/zinc/26/90/19/1063269019.db2.gz GJOKZNPEJNPFBF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508020134 1063499924 /nfs/dbraw/zinc/49/99/24/1063499924.db2.gz FNSZEDUTLBRYER-SJORKVTESA-N 2 1 321.509 2.393 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001508107016 1063559870 /nfs/dbraw/zinc/55/98/70/1063559870.db2.gz WMBPYTWXOUNROX-JCYILVPMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001508211818 1063612115 /nfs/dbraw/zinc/61/21/15/1063612115.db2.gz BRGAQVZGWUXEHB-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001493206129 1063634986 /nfs/dbraw/zinc/63/49/86/1063634986.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001493206129 1063634994 /nfs/dbraw/zinc/63/49/94/1063634994.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001493206129 1063635001 /nfs/dbraw/zinc/63/50/01/1063635001.db2.gz DVXBPYMFXZZPDO-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001493268322 1063679335 /nfs/dbraw/zinc/67/93/35/1063679335.db2.gz DKSXIBDCRQSKMX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001493268322 1063679346 /nfs/dbraw/zinc/67/93/46/1063679346.db2.gz DKSXIBDCRQSKMX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493268322 1063679353 /nfs/dbraw/zinc/67/93/53/1063679353.db2.gz DKSXIBDCRQSKMX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493268322 1063679357 /nfs/dbraw/zinc/67/93/57/1063679357.db2.gz DKSXIBDCRQSKMX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001493979405 1064058713 /nfs/dbraw/zinc/05/87/13/1064058713.db2.gz YHABJTCSQMMQBJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178458 1064160215 /nfs/dbraw/zinc/16/02/15/1064160215.db2.gz KDZDNEZSBABDHT-WMZOPIPTSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178458 1064160218 /nfs/dbraw/zinc/16/02/18/1064160218.db2.gz KDZDNEZSBABDHT-WMZOPIPTSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660317 1064325955 /nfs/dbraw/zinc/32/59/55/1064325955.db2.gz YDXMLQXWVDOFJH-QZTJIDSGSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660316 1064326102 /nfs/dbraw/zinc/32/61/02/1064326102.db2.gz YDXMLQXWVDOFJH-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567731989 1064383751 /nfs/dbraw/zinc/38/37/51/1064383751.db2.gz TXATWFMFCASCAR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567731989 1064383761 /nfs/dbraw/zinc/38/37/61/1064383761.db2.gz TXATWFMFCASCAR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567731989 1064383777 /nfs/dbraw/zinc/38/37/77/1064383777.db2.gz TXATWFMFCASCAR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567738651 1064391564 /nfs/dbraw/zinc/39/15/64/1064391564.db2.gz RFSVFNCHYTTZFC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494838459 1064500008 /nfs/dbraw/zinc/50/00/08/1064500008.db2.gz DHKCHEDSCZXQFK-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@H]1C ZINC001568043885 1064614634 /nfs/dbraw/zinc/61/46/34/1064614634.db2.gz QEVFAFQCGMPICH-SJLPKXTDSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568424572 1064861801 /nfs/dbraw/zinc/86/18/01/1064861801.db2.gz SOJUAPHWOQAWBL-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495397280 1064879991 /nfs/dbraw/zinc/87/99/91/1064879991.db2.gz RETVFCUWAVTSCN-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001495728881 1065078108 /nfs/dbraw/zinc/07/81/08/1065078108.db2.gz KCIJDKCSUGYRJV-HOCLYGCPSA-N 2 1 318.465 2.062 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569247393 1065393833 /nfs/dbraw/zinc/39/38/33/1065393833.db2.gz NOUDERPQNGYIPI-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001569450185 1065514740 /nfs/dbraw/zinc/51/47/40/1065514740.db2.gz RTVLXDNEYIOJDS-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001569450185 1065514751 /nfs/dbraw/zinc/51/47/51/1065514751.db2.gz RTVLXDNEYIOJDS-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001569450185 1065514762 /nfs/dbraw/zinc/51/47/62/1065514762.db2.gz RTVLXDNEYIOJDS-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569686028 1065671757 /nfs/dbraw/zinc/67/17/57/1065671757.db2.gz XHIVBZCUSMHSPJ-SFHVURJKSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001496782196 1065709753 /nfs/dbraw/zinc/70/97/53/1065709753.db2.gz WVDNXUUMXKCHDE-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802691 1065725824 /nfs/dbraw/zinc/72/58/24/1065725824.db2.gz YWSCEQMESOGBIP-AEFFLSMTSA-N 2 1 315.461 2.134 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570005678 1065876601 /nfs/dbraw/zinc/87/66/01/1065876601.db2.gz MJSAIPSICNNBBW-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570013573 1065881879 /nfs/dbraw/zinc/88/18/79/1065881879.db2.gz NFNJJEUHABUVNE-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP CCCCCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671188392 1078609955 /nfs/dbraw/zinc/60/99/55/1078609955.db2.gz PSFBFRDFHQFCRO-INIZCTEOSA-N 2 1 309.498 2.441 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534150 1067989808 /nfs/dbraw/zinc/98/98/08/1067989808.db2.gz CQXCXDXOLVALCA-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571560480 1068419977 /nfs/dbraw/zinc/41/99/77/1068419977.db2.gz ZQCUOAHCKUOIOO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267460459 1078869988 /nfs/dbraw/zinc/86/99/88/1078869988.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460459 1078869993 /nfs/dbraw/zinc/86/99/93/1078869993.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460459 1078870001 /nfs/dbraw/zinc/87/00/01/1078870001.db2.gz VUMJCVACXNNPBI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC1(CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[NH2+]C1 ZINC001574879739 1069283996 /nfs/dbraw/zinc/28/39/96/1069283996.db2.gz JQRGITYMTUVZDR-MRXNPFEDSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)nn1 ZINC001574921214 1069297957 /nfs/dbraw/zinc/29/79/57/1069297957.db2.gz USPOEAIRYOPIMV-KRWDZBQOSA-N 2 1 315.465 2.208 20 30 DEEDMP C=CC[N@H+](C)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235857855 1084550279 /nfs/dbraw/zinc/55/02/79/1084550279.db2.gz APKGLMOFVLKYEX-UHFFFAOYSA-N 2 1 324.266 2.477 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001483847928 1079149464 /nfs/dbraw/zinc/14/94/64/1079149464.db2.gz OJUVVNZKYVFKHU-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001483849491 1079150063 /nfs/dbraw/zinc/15/00/63/1079150063.db2.gz WXCQDALDPJKFAQ-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483944091 1079201003 /nfs/dbraw/zinc/20/10/03/1079201003.db2.gz OIMIJPLTJCNKBB-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC)CC1 ZINC001483989600 1079227866 /nfs/dbraw/zinc/22/78/66/1079227866.db2.gz PODFJZKPDWONQB-CALCHBBNSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001484021839 1079246886 /nfs/dbraw/zinc/24/68/86/1079246886.db2.gz GPTRQQXOROHQFX-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484021839 1079246895 /nfs/dbraw/zinc/24/68/95/1079246895.db2.gz GPTRQQXOROHQFX-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484021839 1079246900 /nfs/dbraw/zinc/24/69/00/1079246900.db2.gz GPTRQQXOROHQFX-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484124925 1079314206 /nfs/dbraw/zinc/31/42/06/1079314206.db2.gz KPBDKVHJSAIWSA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484160430 1079335429 /nfs/dbraw/zinc/33/54/29/1079335429.db2.gz FXIHHYQZQFRFQA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001565921526 1075077634 /nfs/dbraw/zinc/07/76/34/1075077634.db2.gz HNJFNKZFGCATBC-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001565815513 1075188408 /nfs/dbraw/zinc/18/84/08/1075188408.db2.gz JJTSNRMVSRGZML-UHFFFAOYSA-N 2 1 324.428 2.072 20 30 DEEDMP C#CC[N@@H+]1CCCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001565815513 1075188411 /nfs/dbraw/zinc/18/84/11/1075188411.db2.gz JJTSNRMVSRGZML-UHFFFAOYSA-N 2 1 324.428 2.072 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942637 1075209179 /nfs/dbraw/zinc/20/91/79/1075209179.db2.gz CNIXXPSYSJPEIM-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001566972119 1075404109 /nfs/dbraw/zinc/40/41/09/1075404109.db2.gz XBXIFKZBARJHDJ-SJUNHDGSSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566972119 1075404110 /nfs/dbraw/zinc/40/41/10/1075404110.db2.gz XBXIFKZBARJHDJ-SJUNHDGSSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566972119 1075404111 /nfs/dbraw/zinc/40/41/11/1075404111.db2.gz XBXIFKZBARJHDJ-SJUNHDGSSA-N 2 1 319.493 2.118 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054173 1075423890 /nfs/dbraw/zinc/42/38/90/1075423890.db2.gz LSCWLGBVDUQVJO-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339102 1079549616 /nfs/dbraw/zinc/54/96/16/1079549616.db2.gz STMRKCXKDWWDGG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001267865487 1079551943 /nfs/dbraw/zinc/55/19/43/1079551943.db2.gz WWAGZNDWZZNQRO-QGZVFWFLSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001484563605 1079662495 /nfs/dbraw/zinc/66/24/95/1079662495.db2.gz QZSUWWLLVINEEQ-WMLDXEAASA-N 2 1 301.434 2.091 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001481350707 1079744245 /nfs/dbraw/zinc/74/42/45/1079744245.db2.gz POVMJOIUHFWVCI-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001268034570 1079861322 /nfs/dbraw/zinc/86/13/22/1079861322.db2.gz MOGIBLJXMKOUGY-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345552 1080157514 /nfs/dbraw/zinc/15/75/14/1080157514.db2.gz SVZYVLFHBOESKC-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345552 1080157519 /nfs/dbraw/zinc/15/75/19/1080157519.db2.gz SVZYVLFHBOESKC-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001485454416 1080215353 /nfs/dbraw/zinc/21/53/53/1080215353.db2.gz YIKYBEHIQWGRRU-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268251813 1080231375 /nfs/dbraw/zinc/23/13/75/1080231375.db2.gz PRUOENAILVISIK-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268251813 1080231381 /nfs/dbraw/zinc/23/13/81/1080231381.db2.gz PRUOENAILVISIK-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268251813 1080231389 /nfs/dbraw/zinc/23/13/89/1080231389.db2.gz PRUOENAILVISIK-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001660475382 1080336501 /nfs/dbraw/zinc/33/65/01/1080336501.db2.gz MMSLNRRLWQUTES-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661213407 1080457264 /nfs/dbraw/zinc/45/72/64/1080457264.db2.gz QZWFTENJBWRERX-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213407 1080457266 /nfs/dbraw/zinc/45/72/66/1080457266.db2.gz QZWFTENJBWRERX-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213407 1080457268 /nfs/dbraw/zinc/45/72/68/1080457268.db2.gz QZWFTENJBWRERX-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481957881 1080644672 /nfs/dbraw/zinc/64/46/72/1080644672.db2.gz KTGDPRMQBHDUFC-APWZRJJASA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872729 1080671429 /nfs/dbraw/zinc/67/14/29/1080671429.db2.gz RUGVVNBXWFOQMH-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872729 1080671433 /nfs/dbraw/zinc/67/14/33/1080671433.db2.gz RUGVVNBXWFOQMH-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001482031333 1080710455 /nfs/dbraw/zinc/71/04/55/1080710455.db2.gz JUWMZQLOPPQISO-UHFFFAOYSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664726245 1080949402 /nfs/dbraw/zinc/94/94/02/1080949402.db2.gz GUQRUIUJDZVJFV-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726245 1080949409 /nfs/dbraw/zinc/94/94/09/1080949409.db2.gz GUQRUIUJDZVJFV-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726245 1080949420 /nfs/dbraw/zinc/94/94/20/1080949420.db2.gz GUQRUIUJDZVJFV-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001664884665 1080976064 /nfs/dbraw/zinc/97/60/64/1080976064.db2.gz UPFSBEUOXLTQLT-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001667196883 1081222530 /nfs/dbraw/zinc/22/25/30/1081222530.db2.gz FIMICBZPKCAAAJ-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667692795 1081275085 /nfs/dbraw/zinc/27/50/85/1081275085.db2.gz CPXWEYUBIWSQKO-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001667738621 1081282917 /nfs/dbraw/zinc/28/29/17/1081282917.db2.gz OANMMDBMCOPWSU-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307465 1081290921 /nfs/dbraw/zinc/29/09/21/1081290921.db2.gz KKRGITJYFGGHAJ-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307465 1081290930 /nfs/dbraw/zinc/29/09/30/1081290930.db2.gz KKRGITJYFGGHAJ-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307465 1081290937 /nfs/dbraw/zinc/29/09/37/1081290937.db2.gz KKRGITJYFGGHAJ-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916103 1081550396 /nfs/dbraw/zinc/55/03/96/1081550396.db2.gz FABNCHXPROIXDL-GOSISDBHSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444510 1081713969 /nfs/dbraw/zinc/71/39/69/1081713969.db2.gz UKRPIEYMFGWDNJ-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444510 1081713973 /nfs/dbraw/zinc/71/39/73/1081713973.db2.gz UKRPIEYMFGWDNJ-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444510 1081713976 /nfs/dbraw/zinc/71/39/76/1081713976.db2.gz UKRPIEYMFGWDNJ-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444531 1081714711 /nfs/dbraw/zinc/71/47/11/1081714711.db2.gz VJKOHFUMHYCNML-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001270798870 1081715231 /nfs/dbraw/zinc/71/52/31/1081715231.db2.gz WUHFHDZZTPSEPX-UHFFFAOYSA-N 2 1 304.438 2.211 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001673218278 1081747166 /nfs/dbraw/zinc/74/71/66/1081747166.db2.gz JGMWEIQEMASUTJ-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154776 1081849692 /nfs/dbraw/zinc/84/96/92/1081849692.db2.gz MJVVRWWUGZADND-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001674348425 1081862671 /nfs/dbraw/zinc/86/26/71/1081862671.db2.gz TXPACEQSIJOMNZ-SFHVURJKSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001674354149 1081863199 /nfs/dbraw/zinc/86/31/99/1081863199.db2.gz XFBPJCQMKZDXSR-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001674354149 1081863202 /nfs/dbraw/zinc/86/32/02/1081863202.db2.gz XFBPJCQMKZDXSR-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001674354149 1081863205 /nfs/dbraw/zinc/86/32/05/1081863205.db2.gz XFBPJCQMKZDXSR-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361747 1081999294 /nfs/dbraw/zinc/99/92/94/1081999294.db2.gz RIMAYNWZMWMTPF-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361747 1081999303 /nfs/dbraw/zinc/99/93/03/1081999303.db2.gz RIMAYNWZMWMTPF-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001271318866 1082011728 /nfs/dbraw/zinc/01/17/28/1082011728.db2.gz XXDFCNAQNOWQDW-IRXDYDNUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766641 1082331017 /nfs/dbraw/zinc/33/10/17/1082331017.db2.gz IADUIVYDROQCTG-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266845309 1082387598 /nfs/dbraw/zinc/38/75/98/1082387598.db2.gz WAUQCNUWJZEFAQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266845309 1082387605 /nfs/dbraw/zinc/38/76/05/1082387605.db2.gz WAUQCNUWJZEFAQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266845309 1082387609 /nfs/dbraw/zinc/38/76/09/1082387609.db2.gz WAUQCNUWJZEFAQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901890 1082442004 /nfs/dbraw/zinc/44/20/04/1082442004.db2.gz DJBPWUSBPCWRJV-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266901890 1082442007 /nfs/dbraw/zinc/44/20/07/1082442007.db2.gz DJBPWUSBPCWRJV-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266901890 1082442009 /nfs/dbraw/zinc/44/20/09/1082442009.db2.gz DJBPWUSBPCWRJV-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001266911995 1082449375 /nfs/dbraw/zinc/44/93/75/1082449375.db2.gz QPBNFNBLEZYPEJ-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001409444821 1082891730 /nfs/dbraw/zinc/89/17/30/1082891730.db2.gz KCFNRGDZYAASCO-ZDUSSCGKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546640 1083476730 /nfs/dbraw/zinc/47/67/30/1083476730.db2.gz KMWSZUYXQQUHOQ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546640 1083476732 /nfs/dbraw/zinc/47/67/32/1083476732.db2.gz KMWSZUYXQQUHOQ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546640 1083476737 /nfs/dbraw/zinc/47/67/37/1083476737.db2.gz KMWSZUYXQQUHOQ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633816 1083543063 /nfs/dbraw/zinc/54/30/63/1083543063.db2.gz CZMVUNVKAPHYKS-IEBWSBKVSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001277002204 1083728896 /nfs/dbraw/zinc/72/88/96/1083728896.db2.gz XFDVUKQFQPHUKB-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001272756092 1083936608 /nfs/dbraw/zinc/93/66/08/1083936608.db2.gz OEDOHPVOBSLVOX-XSLAGTTESA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339057 1083946830 /nfs/dbraw/zinc/94/68/30/1083946830.db2.gz DFKGXCMVYXYZDU-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933262 1085701520 /nfs/dbraw/zinc/70/15/20/1085701520.db2.gz WFPYFGFOXOCYFA-WLOQGADPSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800039 1086560667 /nfs/dbraw/zinc/56/06/67/1086560667.db2.gz CLGGZXAFLZHQDU-OIJFSCQUSA-N 2 1 317.477 2.064 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143541 1086681543 /nfs/dbraw/zinc/68/15/43/1086681543.db2.gz HZBIXAWDTHFCLJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084712583 1090406382 /nfs/dbraw/zinc/40/63/82/1090406382.db2.gz NVBBJVQDUBPQKF-BFYDXBDKSA-N 2 1 316.449 2.087 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084712583 1090406385 /nfs/dbraw/zinc/40/63/85/1090406385.db2.gz NVBBJVQDUBPQKF-BFYDXBDKSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938732 1090530965 /nfs/dbraw/zinc/53/09/65/1090530965.db2.gz COBZTGRLDLQVII-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957744 1090546476 /nfs/dbraw/zinc/54/64/76/1090546476.db2.gz UJJMWSSBANMRRM-KURKYZTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556739 /nfs/dbraw/zinc/55/67/39/1090556739.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556744 /nfs/dbraw/zinc/55/67/44/1090556744.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977853 1090556750 /nfs/dbraw/zinc/55/67/50/1090556750.db2.gz IOUIGSZKKMJLOS-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001276051772 1091490863 /nfs/dbraw/zinc/49/08/63/1091490863.db2.gz CLFZPVZNRUSDQH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001276051772 1091490867 /nfs/dbraw/zinc/49/08/67/1091490867.db2.gz CLFZPVZNRUSDQH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001276146730 1091597544 /nfs/dbraw/zinc/59/75/44/1091597544.db2.gz JAWABXBEIYLURJ-ZWKOTPCHSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183580 1091604049 /nfs/dbraw/zinc/60/40/49/1091604049.db2.gz GTSJKYCLQDRNPU-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001275183238 1091604178 /nfs/dbraw/zinc/60/41/78/1091604178.db2.gz DIPCVWYHNYUCPM-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183238 1091604188 /nfs/dbraw/zinc/60/41/88/1091604188.db2.gz DIPCVWYHNYUCPM-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183238 1091604197 /nfs/dbraw/zinc/60/41/97/1091604197.db2.gz DIPCVWYHNYUCPM-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C1CCN(C)CC1 ZINC001273828131 1092230272 /nfs/dbraw/zinc/23/02/72/1092230272.db2.gz ZSPHWWIFCCORGI-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001493125940 1092300062 /nfs/dbraw/zinc/30/00/62/1092300062.db2.gz WXIIXZDBLGWZFG-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001318475199 1140341754 /nfs/dbraw/zinc/34/17/54/1140341754.db2.gz YYFNHPZIYVVBQX-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490831 1140347350 /nfs/dbraw/zinc/34/73/50/1140347350.db2.gz DKKFYMJQDBGYHO-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001318699778 1140389873 /nfs/dbraw/zinc/38/98/73/1140389873.db2.gz YRRDXFMAUUUQRW-KYJSFNMBSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001318930859 1140469664 /nfs/dbraw/zinc/46/96/64/1140469664.db2.gz IJUMVFKZLMPNPM-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001319948453 1140806098 /nfs/dbraw/zinc/80/60/98/1140806098.db2.gz XPTVCXYLLBKHMG-HNNXBMFYSA-N 2 1 306.454 2.313 20 30 DEEDMP CC#CC[N@H+](C)CCN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001320089881 1140820051 /nfs/dbraw/zinc/82/00/51/1140820051.db2.gz GTVUWJVEUNLVAC-UHFFFAOYSA-N 2 1 319.449 2.149 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032351 1140850572 /nfs/dbraw/zinc/85/05/72/1140850572.db2.gz SJKCAEFVPRFRLJ-KRWDZBQOSA-N 2 1 311.514 2.125 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278461220 1141030347 /nfs/dbraw/zinc/03/03/47/1141030347.db2.gz VJTPDGCGUXHCIR-XYJFISCASA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[C@H]([NH3+])c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001247966749 1141654812 /nfs/dbraw/zinc/65/48/12/1141654812.db2.gz GFNNXXRQZKMVKW-HNNXBMFYSA-N 2 1 313.405 2.064 20 30 DEEDMP N#Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248895196 1141831604 /nfs/dbraw/zinc/83/16/04/1141831604.db2.gz BHMNHPZDRSIWQB-AWEZNQCLSA-N 2 1 315.352 2.137 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001324162441 1142020140 /nfs/dbraw/zinc/02/01/40/1142020140.db2.gz KOKDOUXLZGLLLP-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC001324504743 1142090236 /nfs/dbraw/zinc/09/02/36/1142090236.db2.gz FACDHLKJQPLVRU-CJNGLKHVSA-N 2 1 304.438 2.039 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278579578 1142235000 /nfs/dbraw/zinc/23/50/00/1142235000.db2.gz LNQMSHRRXBRHII-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278613959 1142348114 /nfs/dbraw/zinc/34/81/14/1142348114.db2.gz QIISDHQTDZCMRE-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001278616082 1142350874 /nfs/dbraw/zinc/35/08/74/1142350874.db2.gz RSLXIQMNVFLTEJ-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667467 1142721033 /nfs/dbraw/zinc/72/10/33/1142721033.db2.gz FWCIVUNWWIDFHY-SFHVURJKSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667467 1142721046 /nfs/dbraw/zinc/72/10/46/1142721046.db2.gz FWCIVUNWWIDFHY-SFHVURJKSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252483201 1142730979 /nfs/dbraw/zinc/73/09/79/1142730979.db2.gz RLVWGWOJPQRXNW-MOPGFXCFSA-N 2 1 318.461 2.052 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598442 1142782122 /nfs/dbraw/zinc/78/21/22/1142782122.db2.gz NXKZOZVSTADHCM-IPMKNSEASA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598442 1142782130 /nfs/dbraw/zinc/78/21/30/1142782130.db2.gz NXKZOZVSTADHCM-IPMKNSEASA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598442 1142782141 /nfs/dbraw/zinc/78/21/41/1142782141.db2.gz NXKZOZVSTADHCM-IPMKNSEASA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598442 1142782158 /nfs/dbraw/zinc/78/21/58/1142782158.db2.gz NXKZOZVSTADHCM-IPMKNSEASA-N 2 1 322.493 2.136 20 30 DEEDMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[C@@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657675 1143300657 /nfs/dbraw/zinc/30/06/57/1143300657.db2.gz FAIRSBMEORORCP-ZIAGYGMSSA-N 2 1 301.438 2.234 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001340242722 1143308106 /nfs/dbraw/zinc/30/81/06/1143308106.db2.gz WYXRFPXQQIINFH-INIZCTEOSA-N 2 1 307.413 2.057 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263849434 1144410963 /nfs/dbraw/zinc/41/09/63/1144410963.db2.gz JJVPFJXNVLJXCQ-VVLHAWIVSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264196790 1144505568 /nfs/dbraw/zinc/50/55/68/1144505568.db2.gz LBLHMRGJMGKLEW-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264435696 1144540287 /nfs/dbraw/zinc/54/02/87/1144540287.db2.gz SWCKCWIMEMUPNZ-WKILWMFISA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001264677531 1144591538 /nfs/dbraw/zinc/59/15/38/1144591538.db2.gz CHCCIUDGFPIDCG-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC)C1 ZINC001264677929 1144591686 /nfs/dbraw/zinc/59/16/86/1144591686.db2.gz LNIXAULIUFAHLD-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC)C1 ZINC001264677929 1144591691 /nfs/dbraw/zinc/59/16/91/1144591691.db2.gz LNIXAULIUFAHLD-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001264992045 1144621631 /nfs/dbraw/zinc/62/16/31/1144621631.db2.gz KJZUNRVYZRJQHR-UHFFFAOYSA-N 2 1 309.479 2.438 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265228621 1144672775 /nfs/dbraw/zinc/67/27/75/1144672775.db2.gz GAWJMHROOVIIML-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265395224 1144701875 /nfs/dbraw/zinc/70/18/75/1144701875.db2.gz RIJCMWOYDDYNCY-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265613551 1144718183 /nfs/dbraw/zinc/71/81/83/1144718183.db2.gz QVKZAKJTIHHJDV-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001265621490 1144718857 /nfs/dbraw/zinc/71/88/57/1144718857.db2.gz KZQKLCAVNADJBB-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265670873 1144725578 /nfs/dbraw/zinc/72/55/78/1144725578.db2.gz WQJLHCQSJKLFLQ-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708366 1144732499 /nfs/dbraw/zinc/73/24/99/1144732499.db2.gz NCDGPWQQPZDKRJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001265978245 1144775442 /nfs/dbraw/zinc/77/54/42/1144775442.db2.gz GNNGHPFRWVWUSA-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001265978245 1144775447 /nfs/dbraw/zinc/77/54/47/1144775447.db2.gz GNNGHPFRWVWUSA-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116928 1144807102 /nfs/dbraw/zinc/80/71/02/1144807102.db2.gz OXABMKFHFMSOBZ-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001279318794 1144820685 /nfs/dbraw/zinc/82/06/85/1144820685.db2.gz QPBVCZFXSPYPIC-KRWDZBQOSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001281953428 1144923377 /nfs/dbraw/zinc/92/33/77/1144923377.db2.gz VHIMKCYWIZIGJC-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001281953428 1144923378 /nfs/dbraw/zinc/92/33/78/1144923378.db2.gz VHIMKCYWIZIGJC-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001281953428 1144923379 /nfs/dbraw/zinc/92/33/79/1144923379.db2.gz VHIMKCYWIZIGJC-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001283702968 1145603010 /nfs/dbraw/zinc/60/30/10/1145603010.db2.gz PIMRHHSFLSJMEV-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491878084 1146946055 /nfs/dbraw/zinc/94/60/55/1146946055.db2.gz RHOYLPROIPQFTH-HOTGVXAUSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366424585 1147264568 /nfs/dbraw/zinc/26/45/68/1147264568.db2.gz HBUJSMDOMTXXJF-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317327587 1147336375 /nfs/dbraw/zinc/33/63/75/1147336375.db2.gz VSFUVHFZBPMKFK-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317422689 1147373968 /nfs/dbraw/zinc/37/39/68/1147373968.db2.gz IGTFDLADXOODLX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317422689 1147373979 /nfs/dbraw/zinc/37/39/79/1147373979.db2.gz IGTFDLADXOODLX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317422689 1147373984 /nfs/dbraw/zinc/37/39/84/1147373984.db2.gz IGTFDLADXOODLX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCSCC#N)CC2)CC1 ZINC001307854541 1147438902 /nfs/dbraw/zinc/43/89/02/1147438902.db2.gz HXCWVOUCGCUMRY-UHFFFAOYSA-N 2 1 324.538 2.125 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812476 1147583260 /nfs/dbraw/zinc/58/32/60/1147583260.db2.gz WVRGRFPFWBGEBC-DLBZAZTESA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317037068 1147651648 /nfs/dbraw/zinc/65/16/48/1147651648.db2.gz LOZYVSMSBKLKDU-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317037068 1147651649 /nfs/dbraw/zinc/65/16/49/1147651649.db2.gz LOZYVSMSBKLKDU-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317037068 1147651650 /nfs/dbraw/zinc/65/16/50/1147651650.db2.gz LOZYVSMSBKLKDU-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046040 1147652700 /nfs/dbraw/zinc/65/27/00/1147652700.db2.gz UJTQLWSJYUUYFG-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001367186978 1147661836 /nfs/dbraw/zinc/66/18/36/1147661836.db2.gz LMAFUIJFLMTQNI-HDJSIYSDSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317461826 1147712123 /nfs/dbraw/zinc/71/21/23/1147712123.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317461826 1147712125 /nfs/dbraw/zinc/71/21/25/1147712125.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317461826 1147712127 /nfs/dbraw/zinc/71/21/27/1147712127.db2.gz RPHOUFUMUIELCC-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526400 1147720173 /nfs/dbraw/zinc/72/01/73/1147720173.db2.gz JERMEHZSEWGJLS-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001317708475 1147746293 /nfs/dbraw/zinc/74/62/93/1147746293.db2.gz CJNXVCHKTXUQLS-IRXDYDNUSA-N 2 1 307.482 2.099 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001324656255 1147826352 /nfs/dbraw/zinc/82/63/52/1147826352.db2.gz LXOIQEDGAJYOKJ-WBVHZDCISA-N 2 1 304.438 2.381 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001326554755 1148141371 /nfs/dbraw/zinc/14/13/71/1148141371.db2.gz FYEHFIQPHNCRRG-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C[N@H+](CCCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306448 529880997 /nfs/dbraw/zinc/88/09/97/529880997.db2.gz YCLJHGYGUXDRLO-SFHVURJKSA-N 2 1 301.434 2.249 20 30 DEEDMP C[N@@H+](CCCCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306448 529880999 /nfs/dbraw/zinc/88/09/99/529880999.db2.gz YCLJHGYGUXDRLO-SFHVURJKSA-N 2 1 301.434 2.249 20 30 DEEDMP C[NH+](CCCCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188306448 529881000 /nfs/dbraw/zinc/88/10/00/529881000.db2.gz YCLJHGYGUXDRLO-SFHVURJKSA-N 2 1 301.434 2.249 20 30 DEEDMP C[NH+](CCCCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188306448 529881001 /nfs/dbraw/zinc/88/10/01/529881001.db2.gz YCLJHGYGUXDRLO-SFHVURJKSA-N 2 1 301.434 2.249 20 30 DEEDMP C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195638 357454708 /nfs/dbraw/zinc/45/47/08/357454708.db2.gz OIBXDNPXARNIKG-MRXNPFEDSA-N 2 1 318.490 2.220 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000591767149 357758631 /nfs/dbraw/zinc/75/86/31/357758631.db2.gz KNTPKNSZOOYIHK-QGZVFWFLSA-N 2 1 303.450 2.399 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000591767149 357758634 /nfs/dbraw/zinc/75/86/34/357758634.db2.gz KNTPKNSZOOYIHK-QGZVFWFLSA-N 2 1 303.450 2.399 20 30 DEEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588679 359252088 /nfs/dbraw/zinc/25/20/88/359252088.db2.gz NBVANPMQQYOGDK-JKSUJKDBSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588679 359252093 /nfs/dbraw/zinc/25/20/93/359252093.db2.gz NBVANPMQQYOGDK-JKSUJKDBSA-N 2 1 316.449 2.425 20 30 DEEDMP C#CC[NH+](CC#C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093475507 193256961 /nfs/dbraw/zinc/25/69/61/193256961.db2.gz AYOQMMXVJSESNH-UHFFFAOYSA-N 2 1 309.457 2.285 20 30 DEEDMP CSc1ccc([C@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000263193277 533005874 /nfs/dbraw/zinc/00/58/74/533005874.db2.gz WBJPOZMZFFEVTB-HNNXBMFYSA-N 2 1 308.495 2.490 20 30 DEEDMP CNC(NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]C ZINC000122479617 402080484 /nfs/dbraw/zinc/08/04/84/402080484.db2.gz NDBMSLUVDBAUTE-GASCZTMLSA-N 2 1 302.466 2.459 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)c1 ZINC000104175092 402199742 /nfs/dbraw/zinc/19/97/42/402199742.db2.gz MKWMYCZZUHHBIP-UHFFFAOYSA-N 2 1 317.481 2.174 20 30 DEEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154838995 402235625 /nfs/dbraw/zinc/23/56/25/402235625.db2.gz YTSYTIBMLKFTNK-INIZCTEOSA-N 2 1 316.445 2.460 20 30 DEEDMP CN(C(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187056388 402480301 /nfs/dbraw/zinc/48/03/01/402480301.db2.gz HRMCISZWKIDMPO-KRWDZBQOSA-N 2 1 300.450 2.306 20 30 DEEDMP N#CCCn1cc(CNCC[NH+]2CCCC2)c(-c2ccncc2)n1 ZINC000278761556 402870756 /nfs/dbraw/zinc/87/07/56/402870756.db2.gz XHAPVRWASNWVBV-UHFFFAOYSA-N 2 1 324.432 2.044 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408166 403359588 /nfs/dbraw/zinc/35/95/88/403359588.db2.gz YECOBWLVOIAYGC-DJIMGWMZSA-N 2 1 318.440 2.460 20 30 DEEDMP CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(F)cc1C#N ZINC000344070186 403890534 /nfs/dbraw/zinc/89/05/34/403890534.db2.gz QDMSMPHGTSYBDV-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP CN(CCCN(C)Cc1ccc(F)cc1C#N)CC[NH+](C)C ZINC000344070186 403890536 /nfs/dbraw/zinc/89/05/36/403890536.db2.gz QDMSMPHGTSYBDV-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP C=CCOCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347969151 403983206 /nfs/dbraw/zinc/98/32/06/403983206.db2.gz UAPLQBFJRXDJBT-HDICACEKSA-N 2 1 309.498 2.070 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000328133643 404104122 /nfs/dbraw/zinc/10/41/22/404104122.db2.gz XJLKRBLDSAKYEK-UHFFFAOYSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000328133643 404104126 /nfs/dbraw/zinc/10/41/26/404104126.db2.gz XJLKRBLDSAKYEK-UHFFFAOYSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000328229367 404104587 /nfs/dbraw/zinc/10/45/87/404104587.db2.gz CKSHFOWEBWNMKX-HZPDHXFCSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000328229367 404104591 /nfs/dbraw/zinc/10/45/91/404104591.db2.gz CKSHFOWEBWNMKX-HZPDHXFCSA-N 2 1 323.481 2.225 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358798292 404776099 /nfs/dbraw/zinc/77/60/99/404776099.db2.gz ZTKGTUUCCSFHFD-INIZCTEOSA-N 2 1 322.497 2.201 20 30 DEEDMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000566106886 406085591 /nfs/dbraw/zinc/08/55/91/406085591.db2.gz BNEWOYYRMVDREK-MRXNPFEDSA-N 2 1 300.406 2.160 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000491483337 406602143 /nfs/dbraw/zinc/60/21/43/406602143.db2.gz BCEWMSVWDFLBLE-UHFFFAOYSA-N 2 1 305.397 2.007 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000491483337 406602149 /nfs/dbraw/zinc/60/21/49/406602149.db2.gz BCEWMSVWDFLBLE-UHFFFAOYSA-N 2 1 305.397 2.007 20 30 DEEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000641767691 406887733 /nfs/dbraw/zinc/88/77/33/406887733.db2.gz OFNDFPCLTXHBPQ-LJQANCHMSA-N 2 1 318.436 2.197 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000136583825 196542586 /nfs/dbraw/zinc/54/25/86/196542586.db2.gz HAINIRWYSWLKBL-DLBZAZTESA-N 2 1 319.474 2.477 20 30 DEEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000246533348 225227608 /nfs/dbraw/zinc/22/76/08/225227608.db2.gz GRTMMYVSGUPEPS-SOLBZPMBSA-N 2 1 318.465 2.251 20 30 DEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000246533348 225227609 /nfs/dbraw/zinc/22/76/09/225227609.db2.gz GRTMMYVSGUPEPS-SOLBZPMBSA-N 2 1 318.465 2.251 20 30 DEEDMP C=CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379747 425395510 /nfs/dbraw/zinc/39/55/10/425395510.db2.gz ICQOQYCJTASOGH-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655765140 425647915 /nfs/dbraw/zinc/64/79/15/425647915.db2.gz ZLYVSRJVMFSXNC-NJAFHUGGSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804384 425739307 /nfs/dbraw/zinc/73/93/07/425739307.db2.gz FEYCJBXPETXFTH-VDZJLULYSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694698 425714828 /nfs/dbraw/zinc/71/48/28/425714828.db2.gz BGYOJQGKEYPIAY-MAUKXSAKSA-N 2 1 307.482 2.311 20 30 DEEDMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684903 288153372 /nfs/dbraw/zinc/15/33/72/288153372.db2.gz NSELJFHWVRXRJG-CIRFHOKZSA-N 2 1 305.466 2.500 20 30 DEEDMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCSCC1 ZINC000262278827 295005862 /nfs/dbraw/zinc/00/58/62/295005862.db2.gz LKHXFVJWWZMLNS-ZDUSSCGKSA-N 2 1 324.519 2.249 20 30 DEEDMP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000574820530 326190471 /nfs/dbraw/zinc/19/04/71/326190471.db2.gz SBYYRKNUZWMKTM-UHFFFAOYSA-N 2 1 323.444 2.437 20 30 DEEDMP Cn1c[nH+]cc1CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000574820530 326190474 /nfs/dbraw/zinc/19/04/74/326190474.db2.gz SBYYRKNUZWMKTM-UHFFFAOYSA-N 2 1 323.444 2.437 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001329935608 1149018392 /nfs/dbraw/zinc/01/83/92/1149018392.db2.gz FKGNLCXPKJCVNO-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935608 1149018396 /nfs/dbraw/zinc/01/83/96/1149018396.db2.gz FKGNLCXPKJCVNO-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060982 782142459 /nfs/dbraw/zinc/14/24/59/782142459.db2.gz QWMTUIZFMQOPSB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060982 782142464 /nfs/dbraw/zinc/14/24/64/782142464.db2.gz QWMTUIZFMQOPSB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060982 782142470 /nfs/dbraw/zinc/14/24/70/782142470.db2.gz QWMTUIZFMQOPSB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330231310 1149075091 /nfs/dbraw/zinc/07/50/91/1149075091.db2.gz YDLDVRFWVVSJQM-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244289 1149078016 /nfs/dbraw/zinc/07/80/16/1149078016.db2.gz KHNITLXFUBNVQQ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244289 1149078023 /nfs/dbraw/zinc/07/80/23/1149078023.db2.gz KHNITLXFUBNVQQ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001330296235 1149087960 /nfs/dbraw/zinc/08/79/60/1149087960.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001330296235 1149087968 /nfs/dbraw/zinc/08/79/68/1149087968.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001330296235 1149087976 /nfs/dbraw/zinc/08/79/76/1149087976.db2.gz KSIHNTPTNFZLMI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+](C)Cc2ccco2)N1 ZINC000262679333 533991335 /nfs/dbraw/zinc/99/13/35/533991335.db2.gz VKAKPTBIWZGXKS-AWEZNQCLSA-N 2 1 312.417 2.349 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+](C)Cc2ccco2)N1 ZINC000262679333 533991345 /nfs/dbraw/zinc/99/13/45/533991345.db2.gz VKAKPTBIWZGXKS-AWEZNQCLSA-N 2 1 312.417 2.349 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001378927384 1152492813 /nfs/dbraw/zinc/49/28/13/1152492813.db2.gz QGACTYKBTZJQHC-DZGCQCFKSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001378927418 1152493826 /nfs/dbraw/zinc/49/38/26/1152493826.db2.gz QGACTYKBTZJQHC-ZFWWWQNUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262420258 526386955 /nfs/dbraw/zinc/38/69/55/526386955.db2.gz QVJULMZOROZZNE-DZGCQCFKSA-N 2 1 306.479 2.482 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294926702 526828264 /nfs/dbraw/zinc/82/82/64/526828264.db2.gz HETLWUKQOYDJDL-OAHLLOKOSA-N 2 1 303.406 2.461 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294926702 526828272 /nfs/dbraw/zinc/82/82/72/526828272.db2.gz HETLWUKQOYDJDL-OAHLLOKOSA-N 2 1 303.406 2.461 20 30 DEEDMP C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000341425633 527039039 /nfs/dbraw/zinc/03/90/39/527039039.db2.gz BAQKNQDGSAMHIQ-IAGOWNOFSA-N 2 1 324.513 2.399 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCS[C@H](CC)C1 ZINC000261805494 528810949 /nfs/dbraw/zinc/81/09/49/528810949.db2.gz HGKLZOIQXXDWMF-LSDHHAIUSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@H](C)C1 ZINC000262812906 528815441 /nfs/dbraw/zinc/81/54/41/528815441.db2.gz UUVYHYOOESQQLK-GDBMZVCRSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123953 529073967 /nfs/dbraw/zinc/07/39/67/529073967.db2.gz MIAUENJAJRMVRT-UONOGXRCSA-N 2 1 318.490 2.265 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301812 529100643 /nfs/dbraw/zinc/10/06/43/529100643.db2.gz UDTUKYVISGJCPE-HRCADAONSA-N 2 1 304.413 2.070 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263123946 529100826 /nfs/dbraw/zinc/10/08/26/529100826.db2.gz MIAUENJAJRMVRT-KBPBESRZSA-N 2 1 318.490 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001426140351 1174613839 /nfs/dbraw/zinc/61/38/39/1174613839.db2.gz UJBZTRRGLBMKKU-OCCSQVGLSA-N 2 1 315.889 2.201 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553242 625323437 /nfs/dbraw/zinc/32/34/37/625323437.db2.gz YCYBFYMFJRMHSO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553242 625323440 /nfs/dbraw/zinc/32/34/40/625323440.db2.gz YCYBFYMFJRMHSO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553242 625323441 /nfs/dbraw/zinc/32/34/41/625323441.db2.gz YCYBFYMFJRMHSO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450049 625445028 /nfs/dbraw/zinc/44/50/28/625445028.db2.gz CKRUARAWZXWEQJ-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450047 625445035 /nfs/dbraw/zinc/44/50/35/625445035.db2.gz CKRUARAWZXWEQJ-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972699910 625465487 /nfs/dbraw/zinc/46/54/87/625465487.db2.gz BMMIQLNVCCSGOM-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475144 625466958 /nfs/dbraw/zinc/46/69/58/625466958.db2.gz RRQJUCWUCYICBO-DOTOQJQBSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118051 622572180 /nfs/dbraw/zinc/57/21/80/622572180.db2.gz CSRSKMLYUYCHID-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118051 622572186 /nfs/dbraw/zinc/57/21/86/622572186.db2.gz CSRSKMLYUYCHID-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603695 623818769 /nfs/dbraw/zinc/81/87/69/623818769.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603695 623818779 /nfs/dbraw/zinc/81/87/79/623818779.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603695 623818789 /nfs/dbraw/zinc/81/87/89/623818789.db2.gz QXIGDQQWPQGINW-NVXWUHKLSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892880565 625684799 /nfs/dbraw/zinc/68/47/99/625684799.db2.gz DQNWDKQBUOPAJB-HZPDHXFCSA-N 2 1 312.429 2.250 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542154 624184976 /nfs/dbraw/zinc/18/49/76/624184976.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542154 624184977 /nfs/dbraw/zinc/18/49/77/624184977.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542154 624184978 /nfs/dbraw/zinc/18/49/78/624184978.db2.gz ZLOHOIQNEQZWBY-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566235 624187722 /nfs/dbraw/zinc/18/77/22/624187722.db2.gz CDOAOFCFMQPCEL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971566235 624187723 /nfs/dbraw/zinc/18/77/23/624187723.db2.gz CDOAOFCFMQPCEL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566235 624187724 /nfs/dbraw/zinc/18/77/24/624187724.db2.gz CDOAOFCFMQPCEL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566235 624187725 /nfs/dbraw/zinc/18/77/25/624187725.db2.gz CDOAOFCFMQPCEL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005497 624765663 /nfs/dbraw/zinc/76/56/63/624765663.db2.gz MLXNQHVSNKYAKN-KRWDZBQOSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506452 624926967 /nfs/dbraw/zinc/92/69/67/624926967.db2.gz QFUDRPGRWNPUKV-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022806874 624937455 /nfs/dbraw/zinc/93/74/55/624937455.db2.gz COWGILAESLZFBS-ZNMIVQPWSA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746870 625061408 /nfs/dbraw/zinc/06/14/08/625061408.db2.gz OQMPPULBQOLVTH-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746870 625061412 /nfs/dbraw/zinc/06/14/12/625061412.db2.gz OQMPPULBQOLVTH-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746870 625061418 /nfs/dbraw/zinc/06/14/18/625061418.db2.gz OQMPPULBQOLVTH-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998899296 634439792 /nfs/dbraw/zinc/43/97/92/634439792.db2.gz DVVPHAZKILHPGI-RUXDESIVSA-N 2 1 322.840 2.092 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023380848 625245895 /nfs/dbraw/zinc/24/58/95/625245895.db2.gz ILLWHKSJYOLGOP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380848 625245898 /nfs/dbraw/zinc/24/58/98/625245898.db2.gz ILLWHKSJYOLGOP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380848 625245901 /nfs/dbraw/zinc/24/59/01/625245901.db2.gz ILLWHKSJYOLGOP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023412331 625259069 /nfs/dbraw/zinc/25/90/69/625259069.db2.gz PLPMFYVMPXRCTH-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023412331 625259071 /nfs/dbraw/zinc/25/90/71/625259071.db2.gz PLPMFYVMPXRCTH-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023412332 625259459 /nfs/dbraw/zinc/25/94/59/625259459.db2.gz PLPMFYVMPXRCTH-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023412332 625259464 /nfs/dbraw/zinc/25/94/64/625259464.db2.gz PLPMFYVMPXRCTH-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442644 625778654 /nfs/dbraw/zinc/77/86/54/625778654.db2.gz UHAWCXXAHGVDFD-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521151 625842050 /nfs/dbraw/zinc/84/20/50/625842050.db2.gz PJAMGFKPORXIKM-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000996651249 633329617 /nfs/dbraw/zinc/32/96/17/633329617.db2.gz AERMQFHQGRTUKI-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000997061996 633566493 /nfs/dbraw/zinc/56/64/93/633566493.db2.gz GDBKCYIQLAQIOL-UHFFFAOYSA-N 2 1 324.856 2.340 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613765 633900744 /nfs/dbraw/zinc/90/07/44/633900744.db2.gz MQDVKBLJFXHZKJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456803 633994944 /nfs/dbraw/zinc/99/49/44/633994944.db2.gz VOJXJXZCRFWJQL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456803 633994950 /nfs/dbraw/zinc/99/49/50/633994950.db2.gz VOJXJXZCRFWJQL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456803 633994952 /nfs/dbraw/zinc/99/49/52/633994952.db2.gz VOJXJXZCRFWJQL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575652 634181690 /nfs/dbraw/zinc/18/16/90/634181690.db2.gz BTNJMJLYSFFNRD-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575652 634181693 /nfs/dbraw/zinc/18/16/93/634181693.db2.gz BTNJMJLYSFFNRD-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575652 634181697 /nfs/dbraw/zinc/18/16/97/634181697.db2.gz BTNJMJLYSFFNRD-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001027575652 634181702 /nfs/dbraw/zinc/18/17/02/634181702.db2.gz BTNJMJLYSFFNRD-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925536 634981783 /nfs/dbraw/zinc/98/17/83/634981783.db2.gz UBDKTIULJJVTDB-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925537 634981803 /nfs/dbraw/zinc/98/18/03/634981803.db2.gz UBDKTIULJJVTDB-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000980475430 635015311 /nfs/dbraw/zinc/01/53/11/635015311.db2.gz FYSQOKKGJOLHLM-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963711 635097349 /nfs/dbraw/zinc/09/73/49/635097349.db2.gz CZFHCXSZCOCWMM-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001000361484 635158675 /nfs/dbraw/zinc/15/86/75/635158675.db2.gz ATFBMVYJGKCCPR-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000742867 635293874 /nfs/dbraw/zinc/29/38/74/635293874.db2.gz OXMYXQHBUNXASP-UHFFFAOYSA-N 2 1 319.474 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045699 635362987 /nfs/dbraw/zinc/36/29/87/635362987.db2.gz OMGQCSFVOJHNHN-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981523665 635514999 /nfs/dbraw/zinc/51/49/99/635514999.db2.gz VOEFUKZFQNWPJG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523665 635515001 /nfs/dbraw/zinc/51/50/01/635515001.db2.gz VOEFUKZFQNWPJG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523665 635515003 /nfs/dbraw/zinc/51/50/03/635515003.db2.gz VOEFUKZFQNWPJG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981871559 635702434 /nfs/dbraw/zinc/70/24/34/635702434.db2.gz AEHJAENGYKIKPN-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181322 635782897 /nfs/dbraw/zinc/78/28/97/635782897.db2.gz RDCJWTKIEFQEBZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181322 635782898 /nfs/dbraw/zinc/78/28/98/635782898.db2.gz RDCJWTKIEFQEBZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181322 635782902 /nfs/dbraw/zinc/78/29/02/635782902.db2.gz RDCJWTKIEFQEBZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163854 635890431 /nfs/dbraw/zinc/89/04/31/635890431.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163854 635890434 /nfs/dbraw/zinc/89/04/34/635890434.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163854 635890436 /nfs/dbraw/zinc/89/04/36/635890436.db2.gz ZQRQLMRBMRVTRT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)CC[C@@H]2C1 ZINC000946570792 635950145 /nfs/dbraw/zinc/95/01/45/635950145.db2.gz HLUKTQORKFCTMZ-IYBDPMFKSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308139 635961486 /nfs/dbraw/zinc/96/14/86/635961486.db2.gz QRYRKOAOALAZDG-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308139 635961489 /nfs/dbraw/zinc/96/14/89/635961489.db2.gz QRYRKOAOALAZDG-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982558051 636265714 /nfs/dbraw/zinc/26/57/14/636265714.db2.gz YDBGVMUJKZZHTD-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004375753 636403304 /nfs/dbraw/zinc/40/33/04/636403304.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004375753 636403309 /nfs/dbraw/zinc/40/33/09/636403309.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004375753 636403315 /nfs/dbraw/zinc/40/33/15/636403315.db2.gz SKGWIZZQONCFIF-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982796903 636450695 /nfs/dbraw/zinc/45/06/95/636450695.db2.gz AQUWEXONUYXNSQ-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982796903 636450699 /nfs/dbraw/zinc/45/06/99/636450699.db2.gz AQUWEXONUYXNSQ-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982796903 636450703 /nfs/dbraw/zinc/45/07/03/636450703.db2.gz AQUWEXONUYXNSQ-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623743 636476571 /nfs/dbraw/zinc/47/65/71/636476571.db2.gz PGFNGIZQWXJEEI-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946624014 636477284 /nfs/dbraw/zinc/47/72/84/636477284.db2.gz YNZHWAPBRQQMQT-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004546084 636483922 /nfs/dbraw/zinc/48/39/22/636483922.db2.gz GGMQXBLNJLEUIO-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633525 636499908 /nfs/dbraw/zinc/49/99/08/636499908.db2.gz XPDQYLQKRAJMAD-KSZLIROESA-N 2 1 321.509 2.319 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921102 636854402 /nfs/dbraw/zinc/85/44/02/636854402.db2.gz MFONFTATICZKBH-QGZVFWFLSA-N 2 1 319.493 2.123 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717411 636907738 /nfs/dbraw/zinc/90/77/38/636907738.db2.gz SPEWAJYQMJHODQ-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717411 636907744 /nfs/dbraw/zinc/90/77/44/636907744.db2.gz SPEWAJYQMJHODQ-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717411 636907747 /nfs/dbraw/zinc/90/77/47/636907747.db2.gz SPEWAJYQMJHODQ-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871926 636918013 /nfs/dbraw/zinc/91/80/13/636918013.db2.gz RPUDEWUVEXPEGU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cc(Cl)c(O)c(OCC)c1 ZINC000894863605 637272107 /nfs/dbraw/zinc/27/21/07/637272107.db2.gz LXJKQJJENPIPCD-UHFFFAOYSA-N 2 1 310.825 2.489 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1cc(Cl)c(O)c(OCC)c1 ZINC000894863605 637272113 /nfs/dbraw/zinc/27/21/13/637272113.db2.gz LXJKQJJENPIPCD-UHFFFAOYSA-N 2 1 310.825 2.489 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985695474 639588193 /nfs/dbraw/zinc/58/81/93/639588193.db2.gz WBAABVYRKLATBD-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985695474 639588195 /nfs/dbraw/zinc/58/81/95/639588195.db2.gz WBAABVYRKLATBD-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985695474 639588197 /nfs/dbraw/zinc/58/81/97/639588197.db2.gz WBAABVYRKLATBD-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987101818 640086778 /nfs/dbraw/zinc/08/67/78/640086778.db2.gz HUDOQECBPHZZRK-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989457212 641055355 /nfs/dbraw/zinc/05/53/55/641055355.db2.gz LTINFSXDFBKVNJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989457212 641055359 /nfs/dbraw/zinc/05/53/59/641055359.db2.gz LTINFSXDFBKVNJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457212 641055360 /nfs/dbraw/zinc/05/53/60/641055360.db2.gz LTINFSXDFBKVNJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457212 641055362 /nfs/dbraw/zinc/05/53/62/641055362.db2.gz LTINFSXDFBKVNJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483829 641122063 /nfs/dbraw/zinc/12/20/63/641122063.db2.gz YDAQYEVEEKNDKI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989735402 641210726 /nfs/dbraw/zinc/21/07/26/641210726.db2.gz ZVLPZBIBMHOVMJ-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738530 641216549 /nfs/dbraw/zinc/21/65/49/641216549.db2.gz DUYQKYBQGDVGFP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150223 650660414 /nfs/dbraw/zinc/66/04/14/650660414.db2.gz OTGRAFODRDZPGZ-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150223 650660416 /nfs/dbraw/zinc/66/04/16/650660416.db2.gz OTGRAFODRDZPGZ-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150223 650660418 /nfs/dbraw/zinc/66/04/18/650660418.db2.gz OTGRAFODRDZPGZ-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150223 650660420 /nfs/dbraw/zinc/66/04/20/650660420.db2.gz OTGRAFODRDZPGZ-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764186 641961814 /nfs/dbraw/zinc/96/18/14/641961814.db2.gz PNIFWPHIXQFNLR-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764186 641961815 /nfs/dbraw/zinc/96/18/15/641961815.db2.gz PNIFWPHIXQFNLR-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764186 641961822 /nfs/dbraw/zinc/96/18/22/641961822.db2.gz PNIFWPHIXQFNLR-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000900333571 642323724 /nfs/dbraw/zinc/32/37/24/642323724.db2.gz BXPONDIJYYPRQO-WMZOPIPTSA-N 2 1 315.461 2.446 20 30 DEEDMP C[C@@H]1CNC(NN=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)=[NH+]1 ZINC000779787492 642537171 /nfs/dbraw/zinc/53/71/71/642537171.db2.gz UWGKXOKQRQYHED-XYPHTWIQSA-N 2 1 311.433 2.107 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000843803202 651032015 /nfs/dbraw/zinc/03/20/15/651032015.db2.gz JHXSYVWGJSRKSE-OAHLLOKOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771523 646596662 /nfs/dbraw/zinc/59/66/62/646596662.db2.gz MZDZUPLOPZKPCG-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771523 646596663 /nfs/dbraw/zinc/59/66/63/646596663.db2.gz MZDZUPLOPZKPCG-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992141095 646870546 /nfs/dbraw/zinc/87/05/46/646870546.db2.gz GNSVATOETWUAEL-FUHWJXTLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189936 646895094 /nfs/dbraw/zinc/89/50/94/646895094.db2.gz OEZQBMALTHVRFI-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189936 646895098 /nfs/dbraw/zinc/89/50/98/646895098.db2.gz OEZQBMALTHVRFI-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189936 646895100 /nfs/dbraw/zinc/89/51/00/646895100.db2.gz OEZQBMALTHVRFI-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365819 646959439 /nfs/dbraw/zinc/95/94/39/646959439.db2.gz DIZZPBXPEWZIFQ-IEBWSBKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000815651845 647038302 /nfs/dbraw/zinc/03/83/02/647038302.db2.gz GCKIGTCPAOUAPP-MRXNPFEDSA-N 2 1 302.418 2.454 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000815651845 647038310 /nfs/dbraw/zinc/03/83/10/647038310.db2.gz GCKIGTCPAOUAPP-MRXNPFEDSA-N 2 1 302.418 2.454 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481728 647683528 /nfs/dbraw/zinc/68/35/28/647683528.db2.gz SGOOCACYGKVEQE-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480597 647684014 /nfs/dbraw/zinc/68/40/14/647684014.db2.gz QGLRGGBQAJTCQH-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079031 649000335 /nfs/dbraw/zinc/00/03/35/649000335.db2.gz KWXDSFWQIXUWCD-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941162930 649011442 /nfs/dbraw/zinc/01/14/42/649011442.db2.gz CEBVAZOHGODEAK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162930 649011444 /nfs/dbraw/zinc/01/14/44/649011444.db2.gz CEBVAZOHGODEAK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162930 649011446 /nfs/dbraw/zinc/01/14/46/649011446.db2.gz CEBVAZOHGODEAK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053852 649145064 /nfs/dbraw/zinc/14/50/64/649145064.db2.gz UYRUQAIAERJBPZ-PBHICJAKSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581590 649253587 /nfs/dbraw/zinc/25/35/87/649253587.db2.gz JJBTXDIMMVSYGV-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CCOCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000852022385 652316974 /nfs/dbraw/zinc/31/69/74/652316974.db2.gz LDPSDXFFJJZHQK-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP C#CCOCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000852022385 652316979 /nfs/dbraw/zinc/31/69/79/652316979.db2.gz LDPSDXFFJJZHQK-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP C#CCOCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000852022385 652316983 /nfs/dbraw/zinc/31/69/83/652316983.db2.gz LDPSDXFFJJZHQK-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852761597 652452642 /nfs/dbraw/zinc/45/26/42/652452642.db2.gz XXHXMZABRQHZCT-GOSISDBHSA-N 2 1 317.433 2.132 20 30 DEEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852761597 652452644 /nfs/dbraw/zinc/45/26/44/652452644.db2.gz XXHXMZABRQHZCT-GOSISDBHSA-N 2 1 317.433 2.132 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739174 685259155 /nfs/dbraw/zinc/25/91/55/685259155.db2.gz BCPQTWVBWZPXMB-KRWDZBQOSA-N 3 1 323.529 2.031 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187474 693875228 /nfs/dbraw/zinc/87/52/28/693875228.db2.gz SDXSVZVWGHZLTP-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197939 693879481 /nfs/dbraw/zinc/87/94/81/693879481.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197939 693879486 /nfs/dbraw/zinc/87/94/86/693879486.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197939 693879489 /nfs/dbraw/zinc/87/94/89/693879489.db2.gz LZXYETNYJREAPQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245494 693899028 /nfs/dbraw/zinc/89/90/28/693899028.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245494 693899033 /nfs/dbraw/zinc/89/90/33/693899033.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245494 693899039 /nfs/dbraw/zinc/89/90/39/693899039.db2.gz UFFCCLLPDIAFFI-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cc2C1 ZINC001054266148 693908168 /nfs/dbraw/zinc/90/81/68/693908168.db2.gz NPMSCBAHGBZNID-RDTXWAMCSA-N 2 1 313.445 2.145 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cc2C1 ZINC001054266148 693908171 /nfs/dbraw/zinc/90/81/71/693908171.db2.gz NPMSCBAHGBZNID-RDTXWAMCSA-N 2 1 313.445 2.145 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266148 693908172 /nfs/dbraw/zinc/90/81/72/693908172.db2.gz NPMSCBAHGBZNID-RDTXWAMCSA-N 2 1 313.445 2.145 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cc2C1 ZINC001054266148 693908175 /nfs/dbraw/zinc/90/81/75/693908175.db2.gz NPMSCBAHGBZNID-RDTXWAMCSA-N 2 1 313.445 2.145 20 30 DEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCC1 ZINC000303786459 685235221 /nfs/dbraw/zinc/23/52/21/685235221.db2.gz RKSCNITWLYDQJA-MRXNPFEDSA-N 2 1 318.465 2.392 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCSCC1)c1ccccc1 ZINC000303787154 685235862 /nfs/dbraw/zinc/23/58/62/685235862.db2.gz SEUKQFIHHBWEHR-INIZCTEOSA-N 2 1 320.506 2.433 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N1CCSCC1)C(C)C ZINC000303897913 685238761 /nfs/dbraw/zinc/23/87/61/685238761.db2.gz QUWNPNQGOSBTBB-OAHLLOKOSA-N 2 1 310.511 2.049 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016790876 687703412 /nfs/dbraw/zinc/70/34/12/687703412.db2.gz QOTFFFXPGKWCBP-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867966149 687853484 /nfs/dbraw/zinc/85/34/84/687853484.db2.gz MFWXJBHHSACJFV-GOSISDBHSA-N 2 1 320.396 2.103 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655741 687933205 /nfs/dbraw/zinc/93/32/05/687933205.db2.gz IPLFTHJZMLLAGV-CALCHBBNSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655741 687933209 /nfs/dbraw/zinc/93/32/09/687933209.db2.gz IPLFTHJZMLLAGV-CALCHBBNSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052975 688039276 /nfs/dbraw/zinc/03/92/76/688039276.db2.gz UQZBYPQELNLPOK-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052975 688039281 /nfs/dbraw/zinc/03/92/81/688039281.db2.gz UQZBYPQELNLPOK-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018052975 688039284 /nfs/dbraw/zinc/03/92/84/688039284.db2.gz UQZBYPQELNLPOK-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018052975 688039290 /nfs/dbraw/zinc/03/92/90/688039290.db2.gz UQZBYPQELNLPOK-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845559 688544907 /nfs/dbraw/zinc/54/49/07/688544907.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845559 688544909 /nfs/dbraw/zinc/54/49/09/688544909.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845559 688544910 /nfs/dbraw/zinc/54/49/10/688544910.db2.gz MLWJBYZXWGQRSP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001031918194 689020280 /nfs/dbraw/zinc/02/02/80/689020280.db2.gz AGTMHYDWUDUEHU-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921908 689021606 /nfs/dbraw/zinc/02/16/06/689021606.db2.gz MQXPHDLGKXHTHR-SFHVURJKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032540333 689179724 /nfs/dbraw/zinc/17/97/24/689179724.db2.gz ZXRXNNAHBXMWNU-BZSNNMDCSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032657613 689214838 /nfs/dbraw/zinc/21/48/38/689214838.db2.gz BUTMOEJANIAEON-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032657613 689214840 /nfs/dbraw/zinc/21/48/40/689214840.db2.gz BUTMOEJANIAEON-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143816 689402624 /nfs/dbraw/zinc/40/26/24/689402624.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143816 689402626 /nfs/dbraw/zinc/40/26/26/689402626.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143816 689402628 /nfs/dbraw/zinc/40/26/28/689402628.db2.gz MJXALEGFYZKLRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467945 689511210 /nfs/dbraw/zinc/51/12/10/689511210.db2.gz UVEGRNCBZAIJMZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835371 689632241 /nfs/dbraw/zinc/63/22/41/689632241.db2.gz OSNUPHYZWFEGGQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835371 689632243 /nfs/dbraw/zinc/63/22/43/689632243.db2.gz OSNUPHYZWFEGGQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835371 689632246 /nfs/dbraw/zinc/63/22/46/689632246.db2.gz OSNUPHYZWFEGGQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034370955 689826158 /nfs/dbraw/zinc/82/61/58/689826158.db2.gz PDZIHVOPOGIJMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370955 689826160 /nfs/dbraw/zinc/82/61/60/689826160.db2.gz PDZIHVOPOGIJMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370955 689826163 /nfs/dbraw/zinc/82/61/63/689826163.db2.gz PDZIHVOPOGIJMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386877 689829822 /nfs/dbraw/zinc/82/98/22/689829822.db2.gz UXBJCWXUCJZSLL-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876776060 689934574 /nfs/dbraw/zinc/93/45/74/689934574.db2.gz DRYBXPBHDGMTQK-BPUTZDHNSA-N 2 1 321.852 2.236 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721637 690161051 /nfs/dbraw/zinc/16/10/51/690161051.db2.gz XOFMWVVPOKLFQZ-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858262 690194645 /nfs/dbraw/zinc/19/46/45/690194645.db2.gz RGXTYAXIYPCLDS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774019 690469629 /nfs/dbraw/zinc/46/96/29/690469629.db2.gz XSBRRQVBOOFDGI-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774019 690469630 /nfs/dbraw/zinc/46/96/30/690469630.db2.gz XSBRRQVBOOFDGI-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036852675 690499070 /nfs/dbraw/zinc/49/90/70/690499070.db2.gz HVOJRAWQTBZDNG-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904368 690522494 /nfs/dbraw/zinc/52/24/94/690522494.db2.gz QXBBLXQHBNTIFL-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038440879 690824024 /nfs/dbraw/zinc/82/40/24/690824024.db2.gz CCVULFNUVYFKBB-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038443124 690825145 /nfs/dbraw/zinc/82/51/45/690825145.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443124 690825146 /nfs/dbraw/zinc/82/51/46/690825146.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443124 690825150 /nfs/dbraw/zinc/82/51/50/690825150.db2.gz GEILTDUDIMYRIB-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224225 691060127 /nfs/dbraw/zinc/06/01/27/691060127.db2.gz DPODJPWFCBHANA-IRXDYDNUSA-N 2 1 316.449 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386866 691094678 /nfs/dbraw/zinc/09/46/78/691094678.db2.gz IXQBPPWDKLZBRV-OWCLPIDISA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001039386866 691094679 /nfs/dbraw/zinc/09/46/79/691094679.db2.gz IXQBPPWDKLZBRV-OWCLPIDISA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039397907 691097659 /nfs/dbraw/zinc/09/76/59/691097659.db2.gz GJYUWKUIOYCDET-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397907 691097662 /nfs/dbraw/zinc/09/76/62/691097662.db2.gz GJYUWKUIOYCDET-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397907 691097665 /nfs/dbraw/zinc/09/76/65/691097665.db2.gz GJYUWKUIOYCDET-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492403 691255614 /nfs/dbraw/zinc/25/56/14/691255614.db2.gz AGOKTNLFFDEOHE-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492403 691255618 /nfs/dbraw/zinc/25/56/18/691255618.db2.gz AGOKTNLFFDEOHE-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492403 691255623 /nfs/dbraw/zinc/25/56/23/691255623.db2.gz AGOKTNLFFDEOHE-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040529895 691262099 /nfs/dbraw/zinc/26/20/99/691262099.db2.gz SEOZAKGBGSHIFC-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040529895 691262102 /nfs/dbraw/zinc/26/21/02/691262102.db2.gz SEOZAKGBGSHIFC-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275612 691354262 /nfs/dbraw/zinc/35/42/62/691354262.db2.gz GBJQCGNZBIJDBT-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275612 691354267 /nfs/dbraw/zinc/35/42/67/691354267.db2.gz GBJQCGNZBIJDBT-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275612 691354272 /nfs/dbraw/zinc/35/42/72/691354272.db2.gz GBJQCGNZBIJDBT-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041345519 691364926 /nfs/dbraw/zinc/36/49/26/691364926.db2.gz AYKNKIXIMMSMFS-IEBWSBKVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345519 691364930 /nfs/dbraw/zinc/36/49/30/691364930.db2.gz AYKNKIXIMMSMFS-IEBWSBKVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345519 691364932 /nfs/dbraw/zinc/36/49/32/691364932.db2.gz AYKNKIXIMMSMFS-IEBWSBKVSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000883131202 691435754 /nfs/dbraw/zinc/43/57/54/691435754.db2.gz OABZACJKMKXHSP-UHFFFAOYSA-N 2 1 319.478 2.267 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132270 691516210 /nfs/dbraw/zinc/51/62/10/691516210.db2.gz APOPJTAOKHFUBS-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156061 691524293 /nfs/dbraw/zinc/52/42/93/691524293.db2.gz GKBGHXLZFHINNG-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464638 /nfs/dbraw/zinc/46/46/38/694464638.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 1 312.417 2.055 20 30 DEEDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1ccccc1C#N ZINC000931722125 694464641 /nfs/dbraw/zinc/46/46/41/694464641.db2.gz DAYBRKOFUVHBQE-JKSUJKDBSA-N 2 1 312.417 2.055 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438126 691980639 /nfs/dbraw/zinc/98/06/39/691980639.db2.gz JUTSVDPEKXWIRE-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458781 691984266 /nfs/dbraw/zinc/98/42/66/691984266.db2.gz ODQMRAFATQEDLV-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921420 692052018 /nfs/dbraw/zinc/05/20/18/692052018.db2.gz LEKRBPCOIFEONM-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921420 692052021 /nfs/dbraw/zinc/05/20/21/692052021.db2.gz LEKRBPCOIFEONM-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921420 692052024 /nfs/dbraw/zinc/05/20/24/692052024.db2.gz LEKRBPCOIFEONM-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948152 692060658 /nfs/dbraw/zinc/06/06/58/692060658.db2.gz WNXIEECKCFQVDA-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045963613 692063542 /nfs/dbraw/zinc/06/35/42/692063542.db2.gz LTMPZCGGGNRMOA-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738923 692279105 /nfs/dbraw/zinc/27/91/05/692279105.db2.gz FWZBPVDABRSCGE-IBGZPJMESA-N 2 1 322.412 2.090 20 30 DEEDMP CC#CCN1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738923 692279107 /nfs/dbraw/zinc/27/91/07/692279107.db2.gz FWZBPVDABRSCGE-IBGZPJMESA-N 2 1 322.412 2.090 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048862618 692712028 /nfs/dbraw/zinc/71/20/28/692712028.db2.gz YSCXJPUKJOFPSO-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862618 692712030 /nfs/dbraw/zinc/71/20/30/692712030.db2.gz YSCXJPUKJOFPSO-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862618 692712033 /nfs/dbraw/zinc/71/20/33/692712033.db2.gz YSCXJPUKJOFPSO-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170687 692779502 /nfs/dbraw/zinc/77/95/02/692779502.db2.gz BLSGBLNJPSUBLM-BDXSIMOUSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523828 692911497 /nfs/dbraw/zinc/91/14/97/692911497.db2.gz HVDKFGROMFLHKT-OAGGEKHMSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523828 692911500 /nfs/dbraw/zinc/91/15/00/692911500.db2.gz HVDKFGROMFLHKT-OAGGEKHMSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593716 692934388 /nfs/dbraw/zinc/93/43/88/692934388.db2.gz GYHVZOJDJICJHZ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593716 692934390 /nfs/dbraw/zinc/93/43/90/692934390.db2.gz GYHVZOJDJICJHZ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049717296 692973737 /nfs/dbraw/zinc/97/37/37/692973737.db2.gz HYBYTWRSQRSYPS-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717296 692973741 /nfs/dbraw/zinc/97/37/41/692973741.db2.gz HYBYTWRSQRSYPS-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717296 692973744 /nfs/dbraw/zinc/97/37/44/692973744.db2.gz HYBYTWRSQRSYPS-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805366 693006328 /nfs/dbraw/zinc/00/63/28/693006328.db2.gz JNUSHDWLULJUBH-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068877 693099774 /nfs/dbraw/zinc/09/97/74/693099774.db2.gz MYUZDSFXLHRQJF-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068877 693099778 /nfs/dbraw/zinc/09/97/78/693099778.db2.gz MYUZDSFXLHRQJF-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068877 693099779 /nfs/dbraw/zinc/09/97/79/693099779.db2.gz MYUZDSFXLHRQJF-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630089 693218972 /nfs/dbraw/zinc/21/89/72/693218972.db2.gz JZYDXJDQVDJPSS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP CC(C)([NH3+])CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925742295 693333940 /nfs/dbraw/zinc/33/39/40/693333940.db2.gz SDUGTIBGVHBXMH-UHFFFAOYSA-N 2 1 300.450 2.240 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052367843 693516282 /nfs/dbraw/zinc/51/62/82/693516282.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367843 693516284 /nfs/dbraw/zinc/51/62/84/693516284.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367843 693516287 /nfs/dbraw/zinc/51/62/87/693516287.db2.gz BYVSQJGYHCQKIO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052391613 693522278 /nfs/dbraw/zinc/52/22/78/693522278.db2.gz QQFOHBXIIKCTFZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052391613 693522282 /nfs/dbraw/zinc/52/22/82/693522282.db2.gz QQFOHBXIIKCTFZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052391613 693522283 /nfs/dbraw/zinc/52/22/83/693522283.db2.gz QQFOHBXIIKCTFZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419599 693529940 /nfs/dbraw/zinc/52/99/40/693529940.db2.gz QIJBSSMSJCTQBF-OAHLLOKOSA-N 2 1 319.474 2.027 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516806 693554736 /nfs/dbraw/zinc/55/47/36/693554736.db2.gz RPZWLBRUDLPTJC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516806 693554741 /nfs/dbraw/zinc/55/47/41/693554741.db2.gz RPZWLBRUDLPTJC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516806 693554746 /nfs/dbraw/zinc/55/47/46/693554746.db2.gz RPZWLBRUDLPTJC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590745 693573416 /nfs/dbraw/zinc/57/34/16/693573416.db2.gz FZYDAGGYPOFXLO-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590746 693573968 /nfs/dbraw/zinc/57/39/68/693573968.db2.gz FZYDAGGYPOFXLO-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767883 693616224 /nfs/dbraw/zinc/61/62/24/693616224.db2.gz ZKBNUAGZHANDKI-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402321997 1162324437 /nfs/dbraw/zinc/32/44/37/1162324437.db2.gz WBDXMZVPWOKSQM-CABCVRRESA-N 2 1 313.873 2.096 20 30 DEEDMP CC(C)[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001335933976 1150563811 /nfs/dbraw/zinc/56/38/11/1150563811.db2.gz OZYBMOBSRVYPRP-UHFFFAOYSA-N 2 1 302.422 2.207 20 30 DEEDMP C=CC(C)(C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001355639322 1152026983 /nfs/dbraw/zinc/02/69/83/1152026983.db2.gz ILGSYOBBRNIHGX-UHFFFAOYSA-N 2 1 315.461 2.451 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380308291 1152785637 /nfs/dbraw/zinc/78/56/37/1152785637.db2.gz YOPUEVINKIAJBR-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402882368 1162514678 /nfs/dbraw/zinc/51/46/78/1162514678.db2.gz HBVVBZGGEGOIMC-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001381277537 1152979772 /nfs/dbraw/zinc/97/97/72/1152979772.db2.gz DHNHKXYVBNEYDJ-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543942 1153467529 /nfs/dbraw/zinc/46/75/29/1153467529.db2.gz XOBFYVOEUYCPIH-ZIAGYGMSSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001373291133 1156936965 /nfs/dbraw/zinc/93/69/65/1156936965.db2.gz QMYGVKIACZBZNA-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001373291133 1156936990 /nfs/dbraw/zinc/93/69/90/1156936990.db2.gz QMYGVKIACZBZNA-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001373291133 1156937001 /nfs/dbraw/zinc/93/70/01/1156937001.db2.gz QMYGVKIACZBZNA-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001401239665 1161901869 /nfs/dbraw/zinc/90/18/69/1161901869.db2.gz NNNTXSMHWZNMBK-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001401239671 1161901982 /nfs/dbraw/zinc/90/19/82/1161901982.db2.gz NNNTXSMHWZNMBK-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001408172895 1165500531 /nfs/dbraw/zinc/50/05/31/1165500531.db2.gz IWSZLRDFUZCIOZ-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408172895 1165500541 /nfs/dbraw/zinc/50/05/41/1165500541.db2.gz IWSZLRDFUZCIOZ-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001408172895 1165500516 /nfs/dbraw/zinc/50/05/16/1165500516.db2.gz IWSZLRDFUZCIOZ-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001408172908 1165502249 /nfs/dbraw/zinc/50/22/49/1165502249.db2.gz IWSZLRDFUZCIOZ-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001408172908 1165502255 /nfs/dbraw/zinc/50/22/55/1165502255.db2.gz IWSZLRDFUZCIOZ-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408172908 1165502267 /nfs/dbraw/zinc/50/22/67/1165502267.db2.gz IWSZLRDFUZCIOZ-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001408172908 1165502278 /nfs/dbraw/zinc/50/22/78/1165502278.db2.gz IWSZLRDFUZCIOZ-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001418842624 1168003021 /nfs/dbraw/zinc/00/30/21/1168003021.db2.gz KGYNXANVXZBKJY-CYBMUJFWSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420077933 1169144673 /nfs/dbraw/zinc/14/46/73/1169144673.db2.gz CKZUTEUDXAPONN-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001425189761 1174221951 /nfs/dbraw/zinc/22/19/51/1174221951.db2.gz DLNXNERPNOEBRQ-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001425189761 1174221957 /nfs/dbraw/zinc/22/19/57/1174221957.db2.gz DLNXNERPNOEBRQ-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001426225580 1174659263 /nfs/dbraw/zinc/65/92/63/1174659263.db2.gz LFTOFVKTIDVMNF-SHARSMKWSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001438527893 1180554346 /nfs/dbraw/zinc/55/43/46/1180554346.db2.gz ZUTYAYGADGUFBI-ZFWWWQNUSA-N 2 1 315.889 2.203 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001444823108 1183571701 /nfs/dbraw/zinc/57/17/01/1183571701.db2.gz CPBISGAXWPOWAX-UONOGXRCSA-N 2 1 324.856 2.312 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001444823109 1183572254 /nfs/dbraw/zinc/57/22/54/1183572254.db2.gz CPBISGAXWPOWAX-ZIAGYGMSSA-N 2 1 324.856 2.312 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001406184872 1164497813 /nfs/dbraw/zinc/49/78/13/1164497813.db2.gz NFEWOUKRRUDGLD-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332143606 1149825318 /nfs/dbraw/zinc/82/53/18/1149825318.db2.gz BOGXPGOBWNLGNY-IXDOHACOSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356555 782794153 /nfs/dbraw/zinc/79/41/53/782794153.db2.gz HBAMVCSHTUPBRB-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160077 /nfs/dbraw/zinc/16/00/77/783160077.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160084 /nfs/dbraw/zinc/16/00/84/783160084.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493158 783160089 /nfs/dbraw/zinc/16/00/89/783160089.db2.gz UOAWKFUXKXMXBM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676530 778015546 /nfs/dbraw/zinc/01/55/46/778015546.db2.gz NZNWRJJUUXCURN-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742866 778070233 /nfs/dbraw/zinc/07/02/33/778070233.db2.gz PKWGKUSSYHRJGO-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788827 778294700 /nfs/dbraw/zinc/29/47/00/778294700.db2.gz LQSJSUSHTFJVLV-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529600 778606759 /nfs/dbraw/zinc/60/67/59/778606759.db2.gz HEOCDMFMQICZIZ-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602619 779374227 /nfs/dbraw/zinc/37/42/27/779374227.db2.gz WSFPMGKXXBXIDN-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001088381248 780050127 /nfs/dbraw/zinc/05/01/27/780050127.db2.gz AIWNVOFMUISSMU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101589312 780461680 /nfs/dbraw/zinc/46/16/80/780461680.db2.gz HOBKGGHHLNNBEO-INIZCTEOSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810328 781021647 /nfs/dbraw/zinc/02/16/47/781021647.db2.gz YCDDTAWYFIZGBN-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810328 781021655 /nfs/dbraw/zinc/02/16/55/781021655.db2.gz YCDDTAWYFIZGBN-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810328 781021658 /nfs/dbraw/zinc/02/16/58/781021658.db2.gz YCDDTAWYFIZGBN-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309160 781211578 /nfs/dbraw/zinc/21/15/78/781211578.db2.gz BVXJBDHEQFRDPZ-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309160 781211585 /nfs/dbraw/zinc/21/15/85/781211585.db2.gz BVXJBDHEQFRDPZ-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324441 781217954 /nfs/dbraw/zinc/21/79/54/781217954.db2.gz SOXRBXRHHMOCCS-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068580 790890220 /nfs/dbraw/zinc/89/02/20/790890220.db2.gz VBYMGKVYFTTXSV-VMBOVVBDSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948388366 783449284 /nfs/dbraw/zinc/44/92/84/783449284.db2.gz DRKOYOBEPYVOGL-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388366 783449292 /nfs/dbraw/zinc/44/92/92/783449292.db2.gz DRKOYOBEPYVOGL-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388366 783449296 /nfs/dbraw/zinc/44/92/96/783449296.db2.gz DRKOYOBEPYVOGL-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473382 783478111 /nfs/dbraw/zinc/47/81/11/783478111.db2.gz FIWSQPPEQPRPLO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225513 783590384 /nfs/dbraw/zinc/59/03/84/783590384.db2.gz ZKSDVUQLZOYUMM-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205359 783905967 /nfs/dbraw/zinc/90/59/67/783905967.db2.gz KTKZGLCYBRUNMB-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085638879 783914974 /nfs/dbraw/zinc/91/49/74/783914974.db2.gz CEXZOVYRPOAZDI-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085638879 783914977 /nfs/dbraw/zinc/91/49/77/783914977.db2.gz CEXZOVYRPOAZDI-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085638879 783914979 /nfs/dbraw/zinc/91/49/79/783914979.db2.gz CEXZOVYRPOAZDI-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788637 784081381 /nfs/dbraw/zinc/08/13/81/784081381.db2.gz OVEVMINPKNVCBJ-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788637 784081386 /nfs/dbraw/zinc/08/13/86/784081386.db2.gz OVEVMINPKNVCBJ-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855434 784148968 /nfs/dbraw/zinc/14/89/68/784148968.db2.gz YMVQIIHVIQLQGR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855434 784148973 /nfs/dbraw/zinc/14/89/73/784148973.db2.gz YMVQIIHVIQLQGR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855434 784148978 /nfs/dbraw/zinc/14/89/78/784148978.db2.gz YMVQIIHVIQLQGR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855434 784148982 /nfs/dbraw/zinc/14/89/82/784148982.db2.gz YMVQIIHVIQLQGR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855434 784148987 /nfs/dbraw/zinc/14/89/87/784148987.db2.gz YMVQIIHVIQLQGR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052418 784213786 /nfs/dbraw/zinc/21/37/86/784213786.db2.gz BFGHFVOADFOYCJ-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052418 784213797 /nfs/dbraw/zinc/21/37/97/784213797.db2.gz BFGHFVOADFOYCJ-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984586 784286073 /nfs/dbraw/zinc/28/60/73/784286073.db2.gz HVYKRDCGYQBSIR-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984586 784286080 /nfs/dbraw/zinc/28/60/80/784286080.db2.gz HVYKRDCGYQBSIR-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001091198623 791022085 /nfs/dbraw/zinc/02/20/85/791022085.db2.gz MQQCUKNDQFTLBW-CGZBRXJRSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968677119 784535047 /nfs/dbraw/zinc/53/50/47/784535047.db2.gz WFZJVMXSLWDKHR-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927603 784615707 /nfs/dbraw/zinc/61/57/07/784615707.db2.gz SLEDTTXNKPBECT-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927603 784615710 /nfs/dbraw/zinc/61/57/10/784615710.db2.gz SLEDTTXNKPBECT-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086364746 784626610 /nfs/dbraw/zinc/62/66/10/784626610.db2.gz PMUZJRBHZPVJQY-RBSFLKMASA-N 2 1 313.873 2.096 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936501 784659466 /nfs/dbraw/zinc/65/94/66/784659466.db2.gz JSDNGWNHQNOUFP-KRWDZBQOSA-N 2 1 324.428 2.332 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086400101 784672088 /nfs/dbraw/zinc/67/20/88/784672088.db2.gz VZFDREUMDXKIFS-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007327440 784888897 /nfs/dbraw/zinc/88/88/97/784888897.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007327440 784888903 /nfs/dbraw/zinc/88/89/03/784888903.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007327440 784888911 /nfs/dbraw/zinc/88/89/11/784888911.db2.gz NUUBVDDCMOMPRV-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008344723 785178883 /nfs/dbraw/zinc/17/88/83/785178883.db2.gz SBXFCNCKLBUGPF-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008344723 785178887 /nfs/dbraw/zinc/17/88/87/785178887.db2.gz SBXFCNCKLBUGPF-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704329 785495515 /nfs/dbraw/zinc/49/55/15/785495515.db2.gz IJDAPJZWGQTJQS-UXLLHSPISA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765907 785532884 /nfs/dbraw/zinc/53/28/84/785532884.db2.gz UKPPGOUPOQPDEV-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109464206 785888098 /nfs/dbraw/zinc/88/80/98/785888098.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464206 785888104 /nfs/dbraw/zinc/88/81/04/785888104.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464206 785888112 /nfs/dbraw/zinc/88/81/12/785888112.db2.gz QNGUMGHROTUOPL-PMPSAXMXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110014672 786128868 /nfs/dbraw/zinc/12/88/68/786128868.db2.gz CTHBDUUVNLSRDU-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110014672 786128872 /nfs/dbraw/zinc/12/88/72/786128872.db2.gz CTHBDUUVNLSRDU-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110014672 786128874 /nfs/dbraw/zinc/12/88/74/786128874.db2.gz CTHBDUUVNLSRDU-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019201 786130180 /nfs/dbraw/zinc/13/01/80/786130180.db2.gz KKRGITJYFGGHAJ-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019201 786130183 /nfs/dbraw/zinc/13/01/83/786130183.db2.gz KKRGITJYFGGHAJ-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019201 786130185 /nfs/dbraw/zinc/13/01/85/786130185.db2.gz KKRGITJYFGGHAJ-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563111 786159324 /nfs/dbraw/zinc/15/93/24/786159324.db2.gz GIWXMUYGZZCZKK-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130648221 787449403 /nfs/dbraw/zinc/44/94/03/787449403.db2.gz KDYFDNDEERNCTM-UHFFFAOYSA-N 2 1 310.442 2.026 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104936 787506010 /nfs/dbraw/zinc/50/60/10/787506010.db2.gz TWIUPCIQUURIAB-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096105677 787506941 /nfs/dbraw/zinc/50/69/41/787506941.db2.gz AVRSXOQOQDWTGL-SQNIBIBYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210875 787967009 /nfs/dbraw/zinc/96/70/09/787967009.db2.gz KMZKNMSBLLPNHE-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210877 787967999 /nfs/dbraw/zinc/96/79/99/787967999.db2.gz KMZKNMSBLLPNHE-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409980 788063612 /nfs/dbraw/zinc/06/36/12/788063612.db2.gz IAYWAFLXARGOLR-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444941 788099972 /nfs/dbraw/zinc/09/99/72/788099972.db2.gz PGEWJAFYRYCJEF-OIISXLGYSA-N 2 1 310.401 2.246 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274072 788346501 /nfs/dbraw/zinc/34/65/01/788346501.db2.gz AVZOZDULJKIKCK-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608679 789003847 /nfs/dbraw/zinc/00/38/47/789003847.db2.gz YZJVZLQLCMQWBL-CHWSQXEVSA-N 2 1 301.862 2.096 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086739927 789387370 /nfs/dbraw/zinc/38/73/70/789387370.db2.gz AAEPSPMRRYDZIC-GVDBMIGSSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583749 789402709 /nfs/dbraw/zinc/40/27/09/789402709.db2.gz DVGFWUGPMSFPQM-GJZGRUSLSA-N 2 1 306.454 2.456 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678386 789444020 /nfs/dbraw/zinc/44/40/20/789444020.db2.gz DLXXCSYWDSGYCE-GJZGRUSLSA-N 2 1 306.454 2.421 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861746 789544308 /nfs/dbraw/zinc/54/43/08/789544308.db2.gz HGICNDZYZRZANC-RRFJBIMHSA-N 2 1 315.889 2.344 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509031 789748927 /nfs/dbraw/zinc/74/89/27/789748927.db2.gz WPIFMXUAZXSKHW-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509031 789748928 /nfs/dbraw/zinc/74/89/28/789748928.db2.gz WPIFMXUAZXSKHW-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682146 789862793 /nfs/dbraw/zinc/86/27/93/789862793.db2.gz HRWFKLRMLDANOB-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820671 789929442 /nfs/dbraw/zinc/92/94/42/789929442.db2.gz BQTGGVANJHNOMA-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820671 789929445 /nfs/dbraw/zinc/92/94/45/789929445.db2.gz BQTGGVANJHNOMA-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820671 789929447 /nfs/dbraw/zinc/92/94/47/789929447.db2.gz BQTGGVANJHNOMA-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730891 /nfs/dbraw/zinc/73/08/91/791730891.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730895 /nfs/dbraw/zinc/73/08/95/791730895.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292897 791730901 /nfs/dbraw/zinc/73/09/01/791730901.db2.gz ZKOOVXIHTYKSTF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148838933 791809331 /nfs/dbraw/zinc/80/93/31/791809331.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838933 791809336 /nfs/dbraw/zinc/80/93/36/791809336.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838933 791809338 /nfs/dbraw/zinc/80/93/38/791809338.db2.gz IPOJRUGWCSTJMN-MRXNPFEDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907875 791846393 /nfs/dbraw/zinc/84/63/93/791846393.db2.gz GERCJXKYCZXAJH-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001171358341 791868576 /nfs/dbraw/zinc/86/85/76/791868576.db2.gz DCPXDJSYZIKBSM-RBSFLKMASA-N 2 1 304.438 2.354 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101313 792095499 /nfs/dbraw/zinc/09/54/99/792095499.db2.gz SFMSZYKMOSFDLO-HKUYNNGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676992 792108636 /nfs/dbraw/zinc/10/86/36/792108636.db2.gz SGVMQJZEQGLPAB-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676992 792108646 /nfs/dbraw/zinc/10/86/46/792108646.db2.gz SGVMQJZEQGLPAB-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671578 792109412 /nfs/dbraw/zinc/10/94/12/792109412.db2.gz MJMNGKANZIKRAB-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671578 792109417 /nfs/dbraw/zinc/10/94/17/792109417.db2.gz MJMNGKANZIKRAB-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671578 792109419 /nfs/dbraw/zinc/10/94/19/792109419.db2.gz MJMNGKANZIKRAB-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467878 792112590 /nfs/dbraw/zinc/11/25/90/792112590.db2.gz ZOUUNJAVCXSEQQ-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092736259 792122225 /nfs/dbraw/zinc/12/22/25/792122225.db2.gz NEHFSFYCNBYNRH-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092736259 792122230 /nfs/dbraw/zinc/12/22/30/792122230.db2.gz NEHFSFYCNBYNRH-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092736259 792122234 /nfs/dbraw/zinc/12/22/34/792122234.db2.gz NEHFSFYCNBYNRH-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099521750 792231056 /nfs/dbraw/zinc/23/10/56/792231056.db2.gz SRIFHSXJSVPXLO-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405754 792631727 /nfs/dbraw/zinc/63/17/27/792631727.db2.gz LNSZGVUSPGSHCF-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150889 792648425 /nfs/dbraw/zinc/64/84/25/792648425.db2.gz MSHSONIKVGCAIJ-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449728 792929223 /nfs/dbraw/zinc/92/92/23/792929223.db2.gz VGFAJIQMEZXILI-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449728 792929229 /nfs/dbraw/zinc/92/92/29/792929229.db2.gz VGFAJIQMEZXILI-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449728 792929239 /nfs/dbraw/zinc/92/92/39/792929239.db2.gz VGFAJIQMEZXILI-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821635 793209083 /nfs/dbraw/zinc/20/90/83/793209083.db2.gz PDNBUBSBPPDAPZ-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172299079 793406873 /nfs/dbraw/zinc/40/68/73/793406873.db2.gz IYMREZUINDZUHJ-WBAXXEDZSA-N 2 1 313.445 2.460 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599915 793668721 /nfs/dbraw/zinc/66/87/21/793668721.db2.gz DCOIUZBFDJROID-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906902 794099188 /nfs/dbraw/zinc/09/91/88/794099188.db2.gz XXMUEQJOEBVDPG-IKGGRYGDSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103752639 794213420 /nfs/dbraw/zinc/21/34/20/794213420.db2.gz RCBGECINAXKTMV-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176278945 794389298 /nfs/dbraw/zinc/38/92/98/794389298.db2.gz KTQQTZTXAPWPCT-CQSZACIVSA-N 2 1 303.878 2.345 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115306295 794729537 /nfs/dbraw/zinc/72/95/37/794729537.db2.gz LVHHLTQYEPJRTH-VSZNYVQBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730991 794899787 /nfs/dbraw/zinc/89/97/87/794899787.db2.gz XADNGCVSQBQEHY-HOTGVXAUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736272 794987714 /nfs/dbraw/zinc/98/77/14/794987714.db2.gz SECJECSXWHZJET-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811120 795002466 /nfs/dbraw/zinc/00/24/66/795002466.db2.gz RILQKCYOLCMCML-MSOLQXFVSA-N 2 1 319.493 2.293 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179749090 795172283 /nfs/dbraw/zinc/17/22/83/795172283.db2.gz WUCQVEZCHRAMTJ-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788172 795176570 /nfs/dbraw/zinc/17/65/70/795176570.db2.gz PPCISGKUKLKWIP-DLBZAZTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623991 795714696 /nfs/dbraw/zinc/71/46/96/795714696.db2.gz XKUHRUOKHOCERD-CRAIPNDOSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055359 795722035 /nfs/dbraw/zinc/72/20/35/795722035.db2.gz BHKYZWGASBNCBB-KZIPQDEESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055677 795722051 /nfs/dbraw/zinc/72/20/51/795722051.db2.gz GJMIIVHLFZLTPS-FIXVGMIGSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183516842 795879856 /nfs/dbraw/zinc/87/98/56/795879856.db2.gz BDEYOEBFUPYYEM-SJLPKXTDSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185159525 796198018 /nfs/dbraw/zinc/19/80/18/796198018.db2.gz ZFJJTZYNBVMEJS-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034626 796482188 /nfs/dbraw/zinc/48/21/88/796482188.db2.gz KHAWCOGRYVAQGH-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699812 796795828 /nfs/dbraw/zinc/79/58/28/796795828.db2.gz UDPAYYWPXDWPGC-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149020 796939641 /nfs/dbraw/zinc/93/96/41/796939641.db2.gz OKKZJMXTZLQTSU-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149020 796939645 /nfs/dbraw/zinc/93/96/45/796939645.db2.gz OKKZJMXTZLQTSU-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149020 796939646 /nfs/dbraw/zinc/93/96/46/796939646.db2.gz OKKZJMXTZLQTSU-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152529495 797199837 /nfs/dbraw/zinc/19/98/37/797199837.db2.gz PZFSADGBBJUGNH-WBVHZDCISA-N 2 1 303.450 2.350 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116798 797466853 /nfs/dbraw/zinc/46/68/53/797466853.db2.gz WBCKQYTXSQMSKB-CQSZACIVSA-N 2 1 312.417 2.106 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193696061 797613747 /nfs/dbraw/zinc/61/37/47/797613747.db2.gz PNYHMSLGHOCBBR-ZFWWWQNUSA-N 2 1 304.438 2.148 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154850989 797626145 /nfs/dbraw/zinc/62/61/45/797626145.db2.gz OPIMFZXYPSQCDV-ZNMIVQPWSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154850989 797626148 /nfs/dbraw/zinc/62/61/48/797626148.db2.gz OPIMFZXYPSQCDV-ZNMIVQPWSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154850989 797626153 /nfs/dbraw/zinc/62/61/53/797626153.db2.gz OPIMFZXYPSQCDV-ZNMIVQPWSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154850989 797626157 /nfs/dbraw/zinc/62/61/57/797626157.db2.gz OPIMFZXYPSQCDV-ZNMIVQPWSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244561 797716756 /nfs/dbraw/zinc/71/67/56/797716756.db2.gz UOJSGZLAERUHCI-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244561 797716763 /nfs/dbraw/zinc/71/67/63/797716763.db2.gz UOJSGZLAERUHCI-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449884 797726393 /nfs/dbraw/zinc/72/63/93/797726393.db2.gz YODXOPSSYTYPEZ-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449884 797726394 /nfs/dbraw/zinc/72/63/94/797726394.db2.gz YODXOPSSYTYPEZ-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449884 797726398 /nfs/dbraw/zinc/72/63/98/797726398.db2.gz YODXOPSSYTYPEZ-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449884 797726401 /nfs/dbraw/zinc/72/64/01/797726401.db2.gz YODXOPSSYTYPEZ-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364038 798322363 /nfs/dbraw/zinc/32/23/63/798322363.db2.gz LASIFBIRMYVMHX-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364038 798322369 /nfs/dbraw/zinc/32/23/69/798322369.db2.gz LASIFBIRMYVMHX-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364038 798322371 /nfs/dbraw/zinc/32/23/71/798322371.db2.gz LASIFBIRMYVMHX-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364038 798322376 /nfs/dbraw/zinc/32/23/76/798322376.db2.gz LASIFBIRMYVMHX-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419688 798404336 /nfs/dbraw/zinc/40/43/36/798404336.db2.gz WNDLUXKWVOEKBL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480388 798413780 /nfs/dbraw/zinc/41/37/80/798413780.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480388 798413783 /nfs/dbraw/zinc/41/37/83/798413783.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480388 798413785 /nfs/dbraw/zinc/41/37/85/798413785.db2.gz LHGPBNULXQLPDL-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159629100 798590895 /nfs/dbraw/zinc/59/08/95/798590895.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629100 798590900 /nfs/dbraw/zinc/59/09/00/798590900.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159629100 798590902 /nfs/dbraw/zinc/59/09/02/798590902.db2.gz UGLZBOCELQVXGJ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159838439 798616508 /nfs/dbraw/zinc/61/65/08/798616508.db2.gz MPLDSDJPUXSYNC-IRXDYDNUSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169721 798657926 /nfs/dbraw/zinc/65/79/26/798657926.db2.gz ZBUYIAAQQUVSAH-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169721 798657933 /nfs/dbraw/zinc/65/79/33/798657933.db2.gz ZBUYIAAQQUVSAH-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169721 798657938 /nfs/dbraw/zinc/65/79/38/798657938.db2.gz ZBUYIAAQQUVSAH-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400377 798683675 /nfs/dbraw/zinc/68/36/75/798683675.db2.gz PADGGBNBHNYZGS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400377 798683676 /nfs/dbraw/zinc/68/36/76/798683676.db2.gz PADGGBNBHNYZGS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400377 798683678 /nfs/dbraw/zinc/68/36/78/798683678.db2.gz PADGGBNBHNYZGS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576382 798835454 /nfs/dbraw/zinc/83/54/54/798835454.db2.gz FWGSZJZMRSRDPM-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576382 798835455 /nfs/dbraw/zinc/83/54/55/798835455.db2.gz FWGSZJZMRSRDPM-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576382 798835457 /nfs/dbraw/zinc/83/54/57/798835457.db2.gz FWGSZJZMRSRDPM-ILOCAZANSA-N 2 1 319.493 2.404 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397985 798846419 /nfs/dbraw/zinc/84/64/19/798846419.db2.gz LVKUHBHJHYPJJE-KRWDZBQOSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446085 798860947 /nfs/dbraw/zinc/86/09/47/798860947.db2.gz WKGDKSMEPKWUNJ-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161446085 798860954 /nfs/dbraw/zinc/86/09/54/798860954.db2.gz WKGDKSMEPKWUNJ-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161446085 798860964 /nfs/dbraw/zinc/86/09/64/798860964.db2.gz WKGDKSMEPKWUNJ-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP COCCC1(CNc2[nH+]c(C)ccc2CC#N)CC[NH2+]CC1 ZINC001161502832 798872685 /nfs/dbraw/zinc/87/26/85/798872685.db2.gz NBPITTUGNSZHRM-UHFFFAOYSA-N 2 1 302.422 2.274 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870253 798953336 /nfs/dbraw/zinc/95/33/36/798953336.db2.gz XWLIOIWJTOHMEV-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870253 798953342 /nfs/dbraw/zinc/95/33/42/798953342.db2.gz XWLIOIWJTOHMEV-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202495561 798980254 /nfs/dbraw/zinc/98/02/54/798980254.db2.gz GKBLLKQDDOHUFY-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095405017 799479525 /nfs/dbraw/zinc/47/95/25/799479525.db2.gz KEMCYNMQYUFSSL-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP C[NH+](C)C1(CNc2cccc(F)c2CC#N)CC[NH+](C)CC1 ZINC001164217546 799542643 /nfs/dbraw/zinc/54/26/43/799542643.db2.gz WPNWVNIYOLKDBJ-UHFFFAOYSA-N 2 1 304.413 2.330 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206274836 800500425 /nfs/dbraw/zinc/50/04/25/800500425.db2.gz LOLHRYCAZFIYEA-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000686813211 800854429 /nfs/dbraw/zinc/85/44/29/800854429.db2.gz WZNVIDMXWXUCGI-UHFFFAOYSA-N 2 1 321.852 2.239 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074150 800907088 /nfs/dbraw/zinc/90/70/88/800907088.db2.gz STPMOVMEKHDXII-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CCO2 ZINC001208610215 801033664 /nfs/dbraw/zinc/03/36/64/801033664.db2.gz ZYSFGTCSBARYGD-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@H+](C)C1)CCO2 ZINC001208610215 801033665 /nfs/dbraw/zinc/03/36/65/801033665.db2.gz ZYSFGTCSBARYGD-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCC[NH+](C)C1)CCO2 ZINC001208610215 801033670 /nfs/dbraw/zinc/03/36/70/801033670.db2.gz ZYSFGTCSBARYGD-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CCO2 ZINC001208610215 801033672 /nfs/dbraw/zinc/03/36/72/801033672.db2.gz ZYSFGTCSBARYGD-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758601 801065003 /nfs/dbraw/zinc/06/50/03/801065003.db2.gz LWIXCCROERBGDL-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001209423850 801190214 /nfs/dbraw/zinc/19/02/14/801190214.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 2 1 317.481 2.419 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209423850 801190215 /nfs/dbraw/zinc/19/02/15/801190215.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 2 1 317.481 2.419 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209423850 801190216 /nfs/dbraw/zinc/19/02/16/801190216.db2.gz FHDWIDDWRGZVHX-SQNIBIBYSA-N 2 1 317.481 2.419 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCCCCC ZINC001229180353 801236969 /nfs/dbraw/zinc/23/69/69/801236969.db2.gz HAKUKJONFNOZPZ-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329961 801377923 /nfs/dbraw/zinc/37/79/23/801377923.db2.gz JXKOBCBPMZNBIW-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230348019 801391715 /nfs/dbraw/zinc/39/17/15/801391715.db2.gz QOEBRYFGXMNXHH-QZTJIDSGSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230348019 801391723 /nfs/dbraw/zinc/39/17/23/801391723.db2.gz QOEBRYFGXMNXHH-QZTJIDSGSA-N 2 1 315.461 2.321 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611660 801436757 /nfs/dbraw/zinc/43/67/57/801436757.db2.gz XFIPMPAIEXYAQR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367093 801555172 /nfs/dbraw/zinc/55/51/72/801555172.db2.gz NVHKHLWWRNICIG-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367093 801555175 /nfs/dbraw/zinc/55/51/75/801555175.db2.gz NVHKHLWWRNICIG-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367093 801555180 /nfs/dbraw/zinc/55/51/80/801555180.db2.gz NVHKHLWWRNICIG-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610873 801739107 /nfs/dbraw/zinc/73/91/07/801739107.db2.gz GXNPSKFSMXFXDW-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214856146 801766633 /nfs/dbraw/zinc/76/66/33/801766633.db2.gz XGVZZVXAJOVZDI-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375391 801782823 /nfs/dbraw/zinc/78/28/23/801782823.db2.gz IJDZEHIENPFWCJ-CVEARBPZSA-N 2 1 323.481 2.319 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375391 801782829 /nfs/dbraw/zinc/78/28/29/801782829.db2.gz IJDZEHIENPFWCJ-CVEARBPZSA-N 2 1 323.481 2.319 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778574 801903902 /nfs/dbraw/zinc/90/39/02/801903902.db2.gz SMDBUDBLGAFEIL-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323888 801963309 /nfs/dbraw/zinc/96/33/09/801963309.db2.gz NYEVXDAPBKYGAC-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752425 802022796 /nfs/dbraw/zinc/02/27/96/802022796.db2.gz OFPFYTXGOWKBJG-IXDOHACOSA-N 2 1 309.498 2.345 20 30 DEEDMP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001220917196 802513029 /nfs/dbraw/zinc/51/30/29/802513029.db2.gz QTLULPPYQONIIN-WMZOPIPTSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772996 802612823 /nfs/dbraw/zinc/61/28/23/802612823.db2.gz UQOIIXKHNKBAPW-BRWVUGGUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016658 802633321 /nfs/dbraw/zinc/63/33/21/802633321.db2.gz VBWCOUSXIYUWKV-USXIJHARSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016658 802633323 /nfs/dbraw/zinc/63/33/23/802633323.db2.gz VBWCOUSXIYUWKV-USXIJHARSA-N 2 1 316.449 2.079 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877022 803290511 /nfs/dbraw/zinc/29/05/11/803290511.db2.gz NHHQFTRMHOTYCX-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106614 1058495407 /nfs/dbraw/zinc/49/54/07/1058495407.db2.gz IHIYZRRNTUWZHJ-RYQLBKOJSA-N 2 1 319.493 2.005 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001500131178 1058515230 /nfs/dbraw/zinc/51/52/30/1058515230.db2.gz KRIKJVWFANYRKA-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001461729516 1058701985 /nfs/dbraw/zinc/70/19/85/1058701985.db2.gz MRAFQRUOLRBUSS-LJQANCHMSA-N 2 1 318.436 2.197 20 30 DEEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500381763 1058737010 /nfs/dbraw/zinc/73/70/10/1058737010.db2.gz DQLSTWOPSXSXQE-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001501222932 1059390748 /nfs/dbraw/zinc/39/07/48/1059390748.db2.gz AAWKQRWHJJJQKJ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001501222932 1059390764 /nfs/dbraw/zinc/39/07/64/1059390764.db2.gz AAWKQRWHJJJQKJ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001501222932 1059390777 /nfs/dbraw/zinc/39/07/77/1059390777.db2.gz AAWKQRWHJJJQKJ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001502149831 1059996956 /nfs/dbraw/zinc/99/69/56/1059996956.db2.gz GEFOOTIXGHDXMD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001502149831 1059996981 /nfs/dbraw/zinc/99/69/81/1059996981.db2.gz GEFOOTIXGHDXMD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001502149831 1059997001 /nfs/dbraw/zinc/99/70/01/1059997001.db2.gz GEFOOTIXGHDXMD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001502149831 1059997021 /nfs/dbraw/zinc/99/70/21/1059997021.db2.gz GEFOOTIXGHDXMD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001502744642 1060267028 /nfs/dbraw/zinc/26/70/28/1060267028.db2.gz HOXHLQDVVLOTAC-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479453194 1061463620 /nfs/dbraw/zinc/46/36/20/1061463620.db2.gz ALWZIDDAQAQDQI-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001479570539 1061505418 /nfs/dbraw/zinc/50/54/18/1061505418.db2.gz YTCMLCHRLSIDPI-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001479747961 1061674092 /nfs/dbraw/zinc/67/40/92/1061674092.db2.gz KAXWJACPMJTXTB-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001480143675 1062383879 /nfs/dbraw/zinc/38/38/79/1062383879.db2.gz IJZTWRONWMDSMF-QAETUUGQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001480211612 1062469976 /nfs/dbraw/zinc/46/99/76/1062469976.db2.gz UDSYBXHFNQNUNC-TWMKSMIVSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480267766 1062570505 /nfs/dbraw/zinc/57/05/05/1062570505.db2.gz REBKMJDCYQZLBZ-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001480327643 1062660071 /nfs/dbraw/zinc/66/00/71/1062660071.db2.gz IKHALIBGOBQXEN-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001480327643 1062660077 /nfs/dbraw/zinc/66/00/77/1062660077.db2.gz IKHALIBGOBQXEN-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001480408375 1062818193 /nfs/dbraw/zinc/81/81/93/1062818193.db2.gz RGYSFKYGVHQCRM-KLAILNCOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507347212 1063134477 /nfs/dbraw/zinc/13/44/77/1063134477.db2.gz HEVMDAJAVHKICH-CRAIPNDOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480738530 1063274705 /nfs/dbraw/zinc/27/47/05/1063274705.db2.gz GJOKZNPEJNPFBF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480738530 1063274727 /nfs/dbraw/zinc/27/47/27/1063274727.db2.gz GJOKZNPEJNPFBF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480738530 1063274744 /nfs/dbraw/zinc/27/47/44/1063274744.db2.gz GJOKZNPEJNPFBF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001493206128 1063636908 /nfs/dbraw/zinc/63/69/08/1063636908.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001493206128 1063636913 /nfs/dbraw/zinc/63/69/13/1063636913.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001493206128 1063636923 /nfs/dbraw/zinc/63/69/23/1063636923.db2.gz DVXBPYMFXZZPDO-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001493837284 1063984586 /nfs/dbraw/zinc/98/45/86/1063984586.db2.gz RYLOBKXFPSOZAR-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC001567653073 1064317964 /nfs/dbraw/zinc/31/79/64/1064317964.db2.gz DGGXMQCGOLXBOH-GOSISDBHSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001567653073 1064317971 /nfs/dbraw/zinc/31/79/71/1064317971.db2.gz DGGXMQCGOLXBOH-GOSISDBHSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001567653073 1064317974 /nfs/dbraw/zinc/31/79/74/1064317974.db2.gz DGGXMQCGOLXBOH-GOSISDBHSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001567659343 1064321828 /nfs/dbraw/zinc/32/18/28/1064321828.db2.gz CVUZJSVUNJNIMX-NXHRZFHOSA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567712582 1064370779 /nfs/dbraw/zinc/37/07/79/1064370779.db2.gz WULLXWOPJANJHX-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567729805 1064380563 /nfs/dbraw/zinc/38/05/63/1064380563.db2.gz OITYDVJHWRRHOY-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567729805 1064380575 /nfs/dbraw/zinc/38/05/75/1064380575.db2.gz OITYDVJHWRRHOY-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567729805 1064380587 /nfs/dbraw/zinc/38/05/87/1064380587.db2.gz OITYDVJHWRRHOY-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567731987 1064385659 /nfs/dbraw/zinc/38/56/59/1064385659.db2.gz TXATWFMFCASCAR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567731987 1064385671 /nfs/dbraw/zinc/38/56/71/1064385671.db2.gz TXATWFMFCASCAR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567731987 1064385679 /nfs/dbraw/zinc/38/56/79/1064385679.db2.gz TXATWFMFCASCAR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914760 1064512240 /nfs/dbraw/zinc/51/22/40/1064512240.db2.gz GSCQAAWNTSNDPM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914760 1064512256 /nfs/dbraw/zinc/51/22/56/1064512256.db2.gz GSCQAAWNTSNDPM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914760 1064512275 /nfs/dbraw/zinc/51/22/75/1064512275.db2.gz GSCQAAWNTSNDPM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567924690 1064521510 /nfs/dbraw/zinc/52/15/10/1064521510.db2.gz RYDKNIKYDFOMGK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567924690 1064521526 /nfs/dbraw/zinc/52/15/26/1064521526.db2.gz RYDKNIKYDFOMGK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867332 1064527002 /nfs/dbraw/zinc/52/70/02/1064527002.db2.gz DYSHEVFWCRYJTO-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867332 1064527021 /nfs/dbraw/zinc/52/70/21/1064527021.db2.gz DYSHEVFWCRYJTO-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568044002 1064614415 /nfs/dbraw/zinc/61/44/15/1064614415.db2.gz ROLQOIHGVIEMPY-MAUKXSAKSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001495051030 1064664953 /nfs/dbraw/zinc/66/49/53/1064664953.db2.gz PGTMYBIUXVCGSQ-CVEARBPZSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001496448382 1065477523 /nfs/dbraw/zinc/47/75/23/1065477523.db2.gz HRPOPVUJHVSWBH-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001499516754 1067243499 /nfs/dbraw/zinc/24/34/99/1067243499.db2.gz ZQVCJLADMDBZKO-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001499522835 1067244848 /nfs/dbraw/zinc/24/48/48/1067244848.db2.gz SXNTYLFONAEVSV-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499522835 1067244856 /nfs/dbraw/zinc/24/48/56/1067244856.db2.gz SXNTYLFONAEVSV-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499522835 1067244862 /nfs/dbraw/zinc/24/48/62/1067244862.db2.gz SXNTYLFONAEVSV-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001499618688 1067282079 /nfs/dbraw/zinc/28/20/79/1067282079.db2.gz FQVOKQJUDVFMGX-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001499618688 1067282090 /nfs/dbraw/zinc/28/20/90/1067282090.db2.gz FQVOKQJUDVFMGX-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1CC[NH3+] ZINC001579441771 1067342099 /nfs/dbraw/zinc/34/20/99/1067342099.db2.gz RXQLQNRXXSDYCA-IUODEOHRSA-N 2 1 311.389 2.025 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267169301 1078633472 /nfs/dbraw/zinc/63/34/72/1078633472.db2.gz MWOWUPOMXAKAAL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267169301 1078633482 /nfs/dbraw/zinc/63/34/82/1078633482.db2.gz MWOWUPOMXAKAAL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267169301 1078633490 /nfs/dbraw/zinc/63/34/90/1078633490.db2.gz MWOWUPOMXAKAAL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001267334869 1078772700 /nfs/dbraw/zinc/77/27/00/1078772700.db2.gz TYPPQNZPXCZPML-ROUUACIJSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698690 1078818857 /nfs/dbraw/zinc/81/88/57/1078818857.db2.gz UNXWIDPFFRXESC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267588063 1079095791 /nfs/dbraw/zinc/09/57/91/1079095791.db2.gz FIDBLOQEASZEPJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267588063 1079095793 /nfs/dbraw/zinc/09/57/93/1079095793.db2.gz FIDBLOQEASZEPJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267588063 1079095795 /nfs/dbraw/zinc/09/57/95/1079095795.db2.gz FIDBLOQEASZEPJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001649433696 1079117422 /nfs/dbraw/zinc/11/74/22/1079117422.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001649433696 1079117425 /nfs/dbraw/zinc/11/74/25/1079117425.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001649433696 1079117427 /nfs/dbraw/zinc/11/74/27/1079117427.db2.gz LVVMLUHDFGRDSB-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001649448958 1079124228 /nfs/dbraw/zinc/12/42/28/1079124228.db2.gz HFIYURRLBOZCRW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001483811926 1079137198 /nfs/dbraw/zinc/13/71/98/1079137198.db2.gz ALMMDLRZNOLIMH-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001483811926 1079137202 /nfs/dbraw/zinc/13/72/02/1079137202.db2.gz ALMMDLRZNOLIMH-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001483811926 1079137209 /nfs/dbraw/zinc/13/72/09/1079137209.db2.gz ALMMDLRZNOLIMH-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484161192 1079335844 /nfs/dbraw/zinc/33/58/44/1079335844.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001484161192 1079335845 /nfs/dbraw/zinc/33/58/45/1079335845.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001484161192 1079335846 /nfs/dbraw/zinc/33/58/46/1079335846.db2.gz OFIQKHRNVRFZBI-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647231104 1074850896 /nfs/dbraw/zinc/85/08/96/1074850896.db2.gz IXIHXIFCIFRAPR-DLBZAZTESA-N 2 1 314.433 2.349 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484172249 1079337618 /nfs/dbraw/zinc/33/76/18/1079337618.db2.gz GUZKHOQOOXGWFF-SFHVURJKSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001566016289 1075217504 /nfs/dbraw/zinc/21/75/04/1075217504.db2.gz IDTKQZDZFNWLKT-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001566016289 1075217506 /nfs/dbraw/zinc/21/75/06/1075217506.db2.gz IDTKQZDZFNWLKT-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001566016289 1075217509 /nfs/dbraw/zinc/21/75/09/1075217509.db2.gz IDTKQZDZFNWLKT-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001566016289 1075217511 /nfs/dbraw/zinc/21/75/11/1075217511.db2.gz IDTKQZDZFNWLKT-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001566699251 1075320162 /nfs/dbraw/zinc/32/01/62/1075320162.db2.gz BMQQTJXEWKATKX-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001566745382 1075333621 /nfs/dbraw/zinc/33/36/21/1075333621.db2.gz LNECJXGNJOCXMR-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566745382 1075333622 /nfs/dbraw/zinc/33/36/22/1075333622.db2.gz LNECJXGNJOCXMR-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566745382 1075333623 /nfs/dbraw/zinc/33/36/23/1075333623.db2.gz LNECJXGNJOCXMR-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566841858 1075358527 /nfs/dbraw/zinc/35/85/27/1075358527.db2.gz IJZTWRONWMDSMF-MWDXBVQZSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001566902227 1075379696 /nfs/dbraw/zinc/37/96/96/1075379696.db2.gz QMNQZFMXOZOOJU-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001267710832 1079397863 /nfs/dbraw/zinc/39/78/63/1079397863.db2.gz ANPUXGLRCRNATF-QZWWFDLISA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267710832 1079397866 /nfs/dbraw/zinc/39/78/66/1079397866.db2.gz ANPUXGLRCRNATF-QZWWFDLISA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267710832 1079397870 /nfs/dbraw/zinc/39/78/70/1079397870.db2.gz ANPUXGLRCRNATF-QZWWFDLISA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963811 1075401720 /nfs/dbraw/zinc/40/17/20/1075401720.db2.gz ZRMBBFDQVYTCMD-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963813 1075402234 /nfs/dbraw/zinc/40/22/34/1075402234.db2.gz ZRMBBFDQVYTCMD-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054174 1075423861 /nfs/dbraw/zinc/42/38/61/1075423861.db2.gz LSCWLGBVDUQVJO-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567264080 1075480736 /nfs/dbraw/zinc/48/07/36/1075480736.db2.gz BHNFXKIWHWXFCV-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267728517 1079418902 /nfs/dbraw/zinc/41/89/02/1079418902.db2.gz CRLGJIWHNYRAFO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267728517 1079418904 /nfs/dbraw/zinc/41/89/04/1079418904.db2.gz CRLGJIWHNYRAFO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267728517 1079418905 /nfs/dbraw/zinc/41/89/05/1079418905.db2.gz CRLGJIWHNYRAFO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267728517 1079418909 /nfs/dbraw/zinc/41/89/09/1079418909.db2.gz CRLGJIWHNYRAFO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267740053 1079434669 /nfs/dbraw/zinc/43/46/69/1079434669.db2.gz RPDQTAIMTRTMBN-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001267740053 1079434671 /nfs/dbraw/zinc/43/46/71/1079434671.db2.gz RPDQTAIMTRTMBN-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001267740053 1079434673 /nfs/dbraw/zinc/43/46/73/1079434673.db2.gz RPDQTAIMTRTMBN-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267786860 1079496433 /nfs/dbraw/zinc/49/64/33/1079496433.db2.gz QUCFRIUZQPCVKG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267786860 1079496437 /nfs/dbraw/zinc/49/64/37/1079496437.db2.gz QUCFRIUZQPCVKG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267786860 1079496441 /nfs/dbraw/zinc/49/64/41/1079496441.db2.gz QUCFRIUZQPCVKG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267831341 1079522011 /nfs/dbraw/zinc/52/20/11/1079522011.db2.gz PJGKOBNMSLRBHM-DLBZAZTESA-N 2 1 303.450 2.350 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001267874436 1079563101 /nfs/dbraw/zinc/56/31/01/1079563101.db2.gz UIMGBFIXNXWWMV-AEFFLSMTSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267944770 1079624263 /nfs/dbraw/zinc/62/42/63/1079624263.db2.gz LENGPFBGXMKKRX-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001484561847 1079661798 /nfs/dbraw/zinc/66/17/98/1079661798.db2.gz RKLPRUMWPZTYFW-CRAIPNDOSA-N 2 1 313.445 2.071 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001268035290 1079862538 /nfs/dbraw/zinc/86/25/38/1079862538.db2.gz XWUVBTDKBBMYRD-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001484943082 1079876430 /nfs/dbraw/zinc/87/64/30/1079876430.db2.gz UOFCEOIQQXVNRP-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCOCC[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520547 1079968896 /nfs/dbraw/zinc/96/88/96/1079968896.db2.gz KNQOUPYQRMENNI-BGYRXZFFSA-N 2 1 312.457 2.480 20 30 DEEDMP C#CCOCC[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520547 1079968901 /nfs/dbraw/zinc/96/89/01/1079968901.db2.gz KNQOUPYQRMENNI-BGYRXZFFSA-N 2 1 312.457 2.480 20 30 DEEDMP C#CCOCC[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520547 1079968905 /nfs/dbraw/zinc/96/89/05/1079968905.db2.gz KNQOUPYQRMENNI-BGYRXZFFSA-N 2 1 312.457 2.480 20 30 DEEDMP C#CCOCC[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520547 1079968908 /nfs/dbraw/zinc/96/89/08/1079968908.db2.gz KNQOUPYQRMENNI-BGYRXZFFSA-N 2 1 312.457 2.480 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481517275 1079986349 /nfs/dbraw/zinc/98/63/49/1079986349.db2.gz GIUXCZNJMWHZKP-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001656092218 1080039196 /nfs/dbraw/zinc/03/91/96/1080039196.db2.gz GMUFATXVTXILKF-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001656092218 1080039204 /nfs/dbraw/zinc/03/92/04/1080039204.db2.gz GMUFATXVTXILKF-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001656092218 1080039213 /nfs/dbraw/zinc/03/92/13/1080039213.db2.gz GMUFATXVTXILKF-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001656108944 1080046776 /nfs/dbraw/zinc/04/67/76/1080046776.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001656108944 1080046790 /nfs/dbraw/zinc/04/67/90/1080046790.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001656108944 1080046794 /nfs/dbraw/zinc/04/67/94/1080046794.db2.gz AOHYDLMOVLUHMI-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP C=C(C)CCN1CC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481596228 1080120009 /nfs/dbraw/zinc/12/00/09/1080120009.db2.gz MBELQOUWBWAJBK-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272699272 1080150595 /nfs/dbraw/zinc/15/05/95/1080150595.db2.gz FHKXAMMKZUVJNC-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001485436984 1080207055 /nfs/dbraw/zinc/20/70/55/1080207055.db2.gz BRBYORBLRJANNH-ROUUACIJSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585254 1080315347 /nfs/dbraw/zinc/31/53/47/1080315347.db2.gz KSBJQQHSYUQUPV-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485664427 1080354362 /nfs/dbraw/zinc/35/43/62/1080354362.db2.gz FOPLEUMSXVWJIE-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661231036 1080460687 /nfs/dbraw/zinc/46/06/87/1080460687.db2.gz CKRGUFLOLWQUST-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001661231036 1080460690 /nfs/dbraw/zinc/46/06/90/1080460690.db2.gz CKRGUFLOLWQUST-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661231036 1080460693 /nfs/dbraw/zinc/46/06/93/1080460693.db2.gz CKRGUFLOLWQUST-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001661601953 1080498452 /nfs/dbraw/zinc/49/84/52/1080498452.db2.gz SIYPHMRIBIHXEW-SOUVJXGZSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661870726 1080537809 /nfs/dbraw/zinc/53/78/09/1080537809.db2.gz CJMMZQRMPFADJJ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661870726 1080537814 /nfs/dbraw/zinc/53/78/14/1080537814.db2.gz CJMMZQRMPFADJJ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001661943473 1080547461 /nfs/dbraw/zinc/54/74/61/1080547461.db2.gz PFBWDNAIEQLOJT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599518 1080931815 /nfs/dbraw/zinc/93/18/15/1080931815.db2.gz SHEMCDWOYPDXOW-AEFFLSMTSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001665686309 1081063186 /nfs/dbraw/zinc/06/31/86/1081063186.db2.gz HPKPVITUXGDGTC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737135 1081072953 /nfs/dbraw/zinc/07/29/53/1081072953.db2.gz GZQFQDGFVSAFIC-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001666829764 1081184932 /nfs/dbraw/zinc/18/49/32/1081184932.db2.gz UBFONYZQBTVCCH-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001667216894 1081226140 /nfs/dbraw/zinc/22/61/40/1081226140.db2.gz LELXYEOKLCQQFM-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001667216894 1081226145 /nfs/dbraw/zinc/22/61/45/1081226145.db2.gz LELXYEOKLCQQFM-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001269460892 1081254909 /nfs/dbraw/zinc/25/49/09/1081254909.db2.gz YZZOLLDVDJRBQW-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001667695471 1081274968 /nfs/dbraw/zinc/27/49/68/1081274968.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001667695471 1081274973 /nfs/dbraw/zinc/27/49/73/1081274973.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001667695471 1081274975 /nfs/dbraw/zinc/27/49/75/1081274975.db2.gz XMPPZHRWFRRHHI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001270309035 1081498678 /nfs/dbraw/zinc/49/86/78/1081498678.db2.gz SSZLVPZNUBNTHH-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001270486680 1081535419 /nfs/dbraw/zinc/53/54/19/1081535419.db2.gz OVISFZHSYMUVMG-DOTOQJQBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001270511372 1081540556 /nfs/dbraw/zinc/54/05/56/1081540556.db2.gz AKJDSPCUYAVQBZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001672915479 1081721048 /nfs/dbraw/zinc/72/10/48/1081721048.db2.gz HVFZSKOOWKAMHO-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001271103157 1081909957 /nfs/dbraw/zinc/90/99/57/1081909957.db2.gz VUGADQIIKQXUOL-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001266382250 1082010043 /nfs/dbraw/zinc/01/00/43/1082010043.db2.gz KEVLGACRPXLOGE-INIZCTEOSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCCC1 ZINC001271342039 1082016073 /nfs/dbraw/zinc/01/60/73/1082016073.db2.gz VCMBSTGDPOKIRZ-QGZVFWFLSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001266494798 1082074169 /nfs/dbraw/zinc/07/41/69/1082074169.db2.gz AEAUVAGEQWSQOS-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266494798 1082074174 /nfs/dbraw/zinc/07/41/74/1082074174.db2.gz AEAUVAGEQWSQOS-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266494798 1082074180 /nfs/dbraw/zinc/07/41/80/1082074180.db2.gz AEAUVAGEQWSQOS-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001271777089 1082151769 /nfs/dbraw/zinc/15/17/69/1082151769.db2.gz FEHQORFPFAVRCP-BRWVUGGUSA-N 2 1 307.482 2.026 20 30 DEEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001482571707 1082252901 /nfs/dbraw/zinc/25/29/01/1082252901.db2.gz NXEKSDYANUMCDY-MSOLQXFVSA-N 2 1 315.461 2.043 20 30 DEEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051710 1082663839 /nfs/dbraw/zinc/66/38/39/1082663839.db2.gz XCLUFWLZGALBLQ-LKGOPFMKSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001272216878 1082677765 /nfs/dbraw/zinc/67/77/65/1082677765.db2.gz XYUSKCHZIOWHDC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001409443324 1082891618 /nfs/dbraw/zinc/89/16/18/1082891618.db2.gz KCFNRGDZYAASCO-CYBMUJFWSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546639 1083475665 /nfs/dbraw/zinc/47/56/65/1083475665.db2.gz KMWSZUYXQQUHOQ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546639 1083475672 /nfs/dbraw/zinc/47/56/72/1083475672.db2.gz KMWSZUYXQQUHOQ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546639 1083475675 /nfs/dbraw/zinc/47/56/75/1083475675.db2.gz KMWSZUYXQQUHOQ-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001276602548 1083508947 /nfs/dbraw/zinc/50/89/47/1083508947.db2.gz AKFQKQRJGZNLFD-ROUUACIJSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001276839603 1083640300 /nfs/dbraw/zinc/64/03/00/1083640300.db2.gz KTMQMLBGWCWDIZ-KSZLIROESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276885870 1083665863 /nfs/dbraw/zinc/66/58/63/1083665863.db2.gz CZFXCAFDAYMMOF-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001277002207 1083728337 /nfs/dbraw/zinc/72/83/37/1083728337.db2.gz XFDVUKQFQPHUKB-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001277053540 1083749813 /nfs/dbraw/zinc/74/98/13/1083749813.db2.gz LOTWHWNXNCRQOD-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001490893795 1083832733 /nfs/dbraw/zinc/83/27/33/1083832733.db2.gz ULZITZJSMVSXMT-KKUMJFAQSA-N 2 1 304.438 2.210 20 30 DEEDMP C#CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001277397558 1083946634 /nfs/dbraw/zinc/94/66/34/1083946634.db2.gz OJPFJUKPRPBKGD-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298170 1084222102 /nfs/dbraw/zinc/22/21/02/1084222102.db2.gz UTXFLZFDEAVJQO-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391835 1084416775 /nfs/dbraw/zinc/41/67/75/1084416775.db2.gz GGXJXEPBLIEDFO-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235391835 1084416778 /nfs/dbraw/zinc/41/67/78/1084416778.db2.gz GGXJXEPBLIEDFO-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277951008 1084453795 /nfs/dbraw/zinc/45/37/95/1084453795.db2.gz BUGPCCVNVYIPJQ-SFHVURJKSA-N 2 1 306.498 2.420 20 30 DEEDMP C=CCCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486412000 1085283073 /nfs/dbraw/zinc/28/30/73/1085283073.db2.gz UIBFVXMZMMGZOK-HOTGVXAUSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400411 /nfs/dbraw/zinc/40/04/11/1085400411.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400416 /nfs/dbraw/zinc/40/04/16/1085400416.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001486515854 1085400420 /nfs/dbraw/zinc/40/04/20/1085400420.db2.gz RYGVYOKTPFDLCF-GOSISDBHSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424949 1085603243 /nfs/dbraw/zinc/60/32/43/1085603243.db2.gz PECOMWHWKYBEIY-VIIJNVHASA-N 2 1 317.477 2.206 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284584 1085671092 /nfs/dbraw/zinc/67/10/92/1085671092.db2.gz NRDCHBITVPLXES-QZTJIDSGSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379908 1085712192 /nfs/dbraw/zinc/71/21/92/1085712192.db2.gz WREFQBZFCNZUKZ-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001494206705 1085836091 /nfs/dbraw/zinc/83/60/91/1085836091.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001494206705 1085836096 /nfs/dbraw/zinc/83/60/96/1085836096.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001494206705 1085836105 /nfs/dbraw/zinc/83/61/05/1085836105.db2.gz QUEZHFFRCAVREX-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001671060142 1086363151 /nfs/dbraw/zinc/36/31/51/1086363151.db2.gz WONCPXBRYOMXDN-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417581 1086448154 /nfs/dbraw/zinc/44/81/54/1086448154.db2.gz NXTXQIBUGDEVFH-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419924 1086450092 /nfs/dbraw/zinc/45/00/92/1086450092.db2.gz WMOXVSTXXQCUTH-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419924 1086450096 /nfs/dbraw/zinc/45/00/96/1086450096.db2.gz WMOXVSTXXQCUTH-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144797 1086807880 /nfs/dbraw/zinc/80/78/80/1086807880.db2.gz SQNFUSDRULYZOJ-DLBZAZTESA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079686619 1088317261 /nfs/dbraw/zinc/31/72/61/1088317261.db2.gz AOXBPIJVADIQLD-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079686619 1088317284 /nfs/dbraw/zinc/31/72/84/1088317284.db2.gz AOXBPIJVADIQLD-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079686619 1088317295 /nfs/dbraw/zinc/31/72/95/1088317295.db2.gz AOXBPIJVADIQLD-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701375 1090402772 /nfs/dbraw/zinc/40/27/72/1090402772.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701375 1090402774 /nfs/dbraw/zinc/40/27/74/1090402774.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701375 1090402777 /nfs/dbraw/zinc/40/27/77/1090402777.db2.gz ASJMSOSWMONJIV-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410394698 1090611885 /nfs/dbraw/zinc/61/18/85/1090611885.db2.gz XWNLVWLKXFZIFF-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274270369 1091158498 /nfs/dbraw/zinc/15/84/98/1091158498.db2.gz QQJFMWPIDDFZAE-SFHVURJKSA-N 2 1 310.401 2.316 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001274446889 1091250526 /nfs/dbraw/zinc/25/05/26/1091250526.db2.gz SKIQULGUVCWZMZ-OAHLLOKOSA-N 2 1 304.438 2.066 20 30 DEEDMP C=CCN(CC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1)C(=O)OCC ZINC001274928116 1091476359 /nfs/dbraw/zinc/47/63/59/1091476359.db2.gz WYPRDODMKDWVGL-SFHVURJKSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1)C(=O)OCC ZINC001274928116 1091476362 /nfs/dbraw/zinc/47/63/62/1091476362.db2.gz WYPRDODMKDWVGL-SFHVURJKSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1)C(=O)OCC ZINC001274928116 1091476365 /nfs/dbraw/zinc/47/63/65/1091476365.db2.gz WYPRDODMKDWVGL-SFHVURJKSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1)C(=O)OCC ZINC001274928116 1091476369 /nfs/dbraw/zinc/47/63/69/1091476369.db2.gz WYPRDODMKDWVGL-SFHVURJKSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCCC[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001274961769 1091487900 /nfs/dbraw/zinc/48/79/00/1091487900.db2.gz ADOGXHJEOWMEDG-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274964568 1091490439 /nfs/dbraw/zinc/49/04/39/1091490439.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 2 1 302.466 2.493 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274964568 1091490448 /nfs/dbraw/zinc/49/04/48/1091490448.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 2 1 302.466 2.493 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001274964568 1091490456 /nfs/dbraw/zinc/49/04/56/1091490456.db2.gz OMABBAJXMRVHDZ-HDICACEKSA-N 2 1 302.466 2.493 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001275183233 1091605144 /nfs/dbraw/zinc/60/51/44/1091605144.db2.gz DIPCVWYHNYUCPM-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183233 1091605147 /nfs/dbraw/zinc/60/51/47/1091605147.db2.gz DIPCVWYHNYUCPM-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183233 1091605153 /nfs/dbraw/zinc/60/51/53/1091605153.db2.gz DIPCVWYHNYUCPM-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001275189881 1091608628 /nfs/dbraw/zinc/60/86/28/1091608628.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001275189881 1091608637 /nfs/dbraw/zinc/60/86/37/1091608637.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001275189881 1091608644 /nfs/dbraw/zinc/60/86/44/1091608644.db2.gz BRDQCODAHAJSFV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766419 1091923245 /nfs/dbraw/zinc/92/32/45/1091923245.db2.gz JZEVTWCDTDXENV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766419 1091923251 /nfs/dbraw/zinc/92/32/51/1091923251.db2.gz JZEVTWCDTDXENV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281454 1091923598 /nfs/dbraw/zinc/92/35/98/1091923598.db2.gz SITNTEBGWGSUHN-HZMVEIRTSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001275912243 1092296097 /nfs/dbraw/zinc/29/60/97/1092296097.db2.gz KHKAYZASCKXCMS-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275912243 1092296107 /nfs/dbraw/zinc/29/61/07/1092296107.db2.gz KHKAYZASCKXCMS-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275912243 1092296119 /nfs/dbraw/zinc/29/61/19/1092296119.db2.gz KHKAYZASCKXCMS-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001488771973 1092743078 /nfs/dbraw/zinc/74/30/78/1092743078.db2.gz JNLSEEUTQJXTER-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001490331880 1093317155 /nfs/dbraw/zinc/31/71/55/1093317155.db2.gz YQSORVJPDXFQSE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001490331880 1093317166 /nfs/dbraw/zinc/31/71/66/1093317166.db2.gz YQSORVJPDXFQSE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001490331880 1093317174 /nfs/dbraw/zinc/31/71/74/1093317174.db2.gz YQSORVJPDXFQSE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447883 1093361517 /nfs/dbraw/zinc/36/15/17/1093361517.db2.gz JWBYOVNJQHVDHS-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110981 1093802785 /nfs/dbraw/zinc/80/27/85/1093802785.db2.gz QKOMZJNGFOUCHM-IAGOWNOFSA-N 2 1 310.401 2.086 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274110981 1093802788 /nfs/dbraw/zinc/80/27/88/1093802788.db2.gz QKOMZJNGFOUCHM-IAGOWNOFSA-N 2 1 310.401 2.086 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752954738 1138300296 /nfs/dbraw/zinc/30/02/96/1138300296.db2.gz ZDINHMBICHINNS-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491804802 1140316922 /nfs/dbraw/zinc/31/69/22/1140316922.db2.gz KQELRUDVPDIBQF-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491804803 1140317326 /nfs/dbraw/zinc/31/73/26/1140317326.db2.gz KQELRUDVPDIBQF-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001318445125 1140332188 /nfs/dbraw/zinc/33/21/88/1140332188.db2.gz KBAVAHXQYOYARC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001318916550 1140466709 /nfs/dbraw/zinc/46/67/09/1140466709.db2.gz BJXKHMASBWOPFH-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001318998508 1140487675 /nfs/dbraw/zinc/48/76/75/1140487675.db2.gz IIUZFBALPTVFSQ-UHFFFAOYSA-N 2 1 312.417 2.174 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001319659894 1140646873 /nfs/dbraw/zinc/64/68/73/1140646873.db2.gz OPABEXYZHWIJSF-WBVHZDCISA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001329624745 1148945326 /nfs/dbraw/zinc/94/53/26/1148945326.db2.gz STRNJBALAHKQMW-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001329624745 1148945349 /nfs/dbraw/zinc/94/53/49/1148945349.db2.gz STRNJBALAHKQMW-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001329624745 1148945372 /nfs/dbraw/zinc/94/53/72/1148945372.db2.gz STRNJBALAHKQMW-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048338 1140816268 /nfs/dbraw/zinc/81/62/68/1140816268.db2.gz PCNZZVMDLLUUKL-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048338 1140816270 /nfs/dbraw/zinc/81/62/70/1140816270.db2.gz PCNZZVMDLLUUKL-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP CCCCCCC[C@@H](C)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246624045 1141009731 /nfs/dbraw/zinc/00/97/31/1141009731.db2.gz DGPJHBRVNYLNOR-QAPCUYQASA-N 2 1 307.482 2.147 20 30 DEEDMP N#Cc1ccc(C2CCC([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246645371 1141023345 /nfs/dbraw/zinc/02/33/45/1141023345.db2.gz UPOITQADDZIFFY-SOAGJPPSSA-N 2 1 324.472 2.222 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719890 1141044097 /nfs/dbraw/zinc/04/40/97/1141044097.db2.gz HMXUCLXOFYRCTE-VSZNYVQBSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719902 1141045054 /nfs/dbraw/zinc/04/50/54/1141045054.db2.gz HMXUCLXOFYRCTE-ZJPYXAASSA-N 2 1 308.466 2.201 20 30 DEEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322668740 1141673846 /nfs/dbraw/zinc/67/38/46/1141673846.db2.gz ULEPVYPUGQVCOX-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001323241098 1141831601 /nfs/dbraw/zinc/83/16/01/1141831601.db2.gz FGEISGYBDULYIT-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001323241098 1141831603 /nfs/dbraw/zinc/83/16/03/1141831603.db2.gz FGEISGYBDULYIT-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001323568761 1141865825 /nfs/dbraw/zinc/86/58/25/1141865825.db2.gz WQTKKYWUJRILKG-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640244 1141872892 /nfs/dbraw/zinc/87/28/92/1141872892.db2.gz CQITWIQAXYCBBR-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858125 1141893658 /nfs/dbraw/zinc/89/36/58/1141893658.db2.gz ANESEHDJCVCSLH-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001324072405 1142000464 /nfs/dbraw/zinc/00/04/64/1142000464.db2.gz INAHYMWAJUBDLI-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558191 1142102102 /nfs/dbraw/zinc/10/21/02/1142102102.db2.gz YUJOHQMNAPDVCZ-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278579579 1142233868 /nfs/dbraw/zinc/23/38/68/1142233868.db2.gz LNQMSHRRXBRHII-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001278582914 1142239802 /nfs/dbraw/zinc/23/98/02/1142239802.db2.gz RVZJHNMDSVWCMY-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598441 1142782596 /nfs/dbraw/zinc/78/25/96/1142782596.db2.gz NXKZOZVSTADHCM-GBESFXJTSA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598441 1142782607 /nfs/dbraw/zinc/78/26/07/1142782607.db2.gz NXKZOZVSTADHCM-GBESFXJTSA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598441 1142782616 /nfs/dbraw/zinc/78/26/16/1142782616.db2.gz NXKZOZVSTADHCM-GBESFXJTSA-N 2 1 322.493 2.136 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252598441 1142782626 /nfs/dbraw/zinc/78/26/26/1142782626.db2.gz NXKZOZVSTADHCM-GBESFXJTSA-N 2 1 322.493 2.136 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCOC2)C1 ZINC001338380435 1142852036 /nfs/dbraw/zinc/85/20/36/1142852036.db2.gz CCVGFBMEPRAVQZ-CVEARBPZSA-N 2 1 324.513 2.089 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC001338492611 1142859474 /nfs/dbraw/zinc/85/94/74/1142859474.db2.gz VISPLEAAFHKHGA-LPHOPBHVSA-N 2 1 300.446 2.228 20 30 DEEDMP C=CCC[C@H](C)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727847 1144036118 /nfs/dbraw/zinc/03/61/18/1144036118.db2.gz JULFBIYGWIPQJB-JKSUJKDBSA-N 2 1 318.465 2.492 20 30 DEEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001263917280 1144423817 /nfs/dbraw/zinc/42/38/17/1144423817.db2.gz YTAGUXBXHWKEHL-OKZBNKHCSA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001264023674 1144443158 /nfs/dbraw/zinc/44/31/58/1144443158.db2.gz BPNKJQQIHQSYAL-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001264174062 1144494621 /nfs/dbraw/zinc/49/46/21/1144494621.db2.gz QIZUTWQTZBMULI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264518028 1144556995 /nfs/dbraw/zinc/55/69/95/1144556995.db2.gz NVTKITACLZXLIW-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001265046892 1144631362 /nfs/dbraw/zinc/63/13/62/1144631362.db2.gz UILZWVDOVQAKRH-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001265046892 1144631365 /nfs/dbraw/zinc/63/13/65/1144631365.db2.gz UILZWVDOVQAKRH-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265046892 1144631367 /nfs/dbraw/zinc/63/13/67/1144631367.db2.gz UILZWVDOVQAKRH-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001265046892 1144631369 /nfs/dbraw/zinc/63/13/69/1144631369.db2.gz UILZWVDOVQAKRH-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001265073123 1144637394 /nfs/dbraw/zinc/63/73/94/1144637394.db2.gz QPGZUGVZLNZWAF-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001265073123 1144637395 /nfs/dbraw/zinc/63/73/95/1144637395.db2.gz QPGZUGVZLNZWAF-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001265073123 1144637396 /nfs/dbraw/zinc/63/73/96/1144637396.db2.gz QPGZUGVZLNZWAF-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001265073123 1144637397 /nfs/dbraw/zinc/63/73/97/1144637397.db2.gz QPGZUGVZLNZWAF-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001265670286 1144725194 /nfs/dbraw/zinc/72/51/94/1144725194.db2.gz MXQZGNSEDOFRRI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266099371 1144805263 /nfs/dbraw/zinc/80/52/63/1144805263.db2.gz FDIXOXALSNPMJP-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001279624356 1144826266 /nfs/dbraw/zinc/82/62/66/1144826266.db2.gz HISIXSRFALTSTG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001279624356 1144826267 /nfs/dbraw/zinc/82/62/67/1144826267.db2.gz HISIXSRFALTSTG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001279624356 1144826269 /nfs/dbraw/zinc/82/62/69/1144826269.db2.gz HISIXSRFALTSTG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001279624357 1144826426 /nfs/dbraw/zinc/82/64/26/1144826426.db2.gz HISIXSRFALTSTG-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001279624357 1144826427 /nfs/dbraw/zinc/82/64/27/1144826427.db2.gz HISIXSRFALTSTG-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001279624357 1144826428 /nfs/dbraw/zinc/82/64/28/1144826428.db2.gz HISIXSRFALTSTG-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951268 1144922961 /nfs/dbraw/zinc/92/29/61/1144922961.db2.gz YUXJYOBCDZLYKI-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951268 1144922963 /nfs/dbraw/zinc/92/29/63/1144922963.db2.gz YUXJYOBCDZLYKI-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001282084110 1144963077 /nfs/dbraw/zinc/96/30/77/1144963077.db2.gz MNYDFCIWGYXZGK-VMWRSERWSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001366288164 1147194059 /nfs/dbraw/zinc/19/40/59/1147194059.db2.gz OODVVXUQNYEIIE-HIFRSBDPSA-N 2 1 313.873 2.240 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001308421892 1147472072 /nfs/dbraw/zinc/47/20/72/1147472072.db2.gz DFIXGWGJDYMPTK-IRXDYDNUSA-N 2 1 308.466 2.433 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001308421892 1147472081 /nfs/dbraw/zinc/47/20/81/1147472081.db2.gz DFIXGWGJDYMPTK-IRXDYDNUSA-N 2 1 308.466 2.433 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947600 1147637030 /nfs/dbraw/zinc/63/70/30/1147637030.db2.gz NSQUCYWERJUHFI-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947600 1147637032 /nfs/dbraw/zinc/63/70/32/1147637032.db2.gz NSQUCYWERJUHFI-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317043824 1147651927 /nfs/dbraw/zinc/65/19/27/1147651927.db2.gz KDFRIAUEQURHAZ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317045802 1147652594 /nfs/dbraw/zinc/65/25/94/1147652594.db2.gz WXLLVHRKNKTUOD-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317149497 1147666908 /nfs/dbraw/zinc/66/69/08/1147666908.db2.gz IYOUIPVOUKUZJU-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317172796 1147670513 /nfs/dbraw/zinc/67/05/13/1147670513.db2.gz FBOPQWPGBJOHCZ-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317342103 1147693344 /nfs/dbraw/zinc/69/33/44/1147693344.db2.gz FNXDNSGRYVBVDC-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317345437 1147693664 /nfs/dbraw/zinc/69/36/64/1147693664.db2.gz ALEUQFXGLXNPOG-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317376513 1147698855 /nfs/dbraw/zinc/69/88/55/1147698855.db2.gz PQFGQMGEKQDLBH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376513 1147698857 /nfs/dbraw/zinc/69/88/57/1147698857.db2.gz PQFGQMGEKQDLBH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376513 1147698859 /nfs/dbraw/zinc/69/88/59/1147698859.db2.gz PQFGQMGEKQDLBH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317406420 1147702230 /nfs/dbraw/zinc/70/22/30/1147702230.db2.gz SETGAIVKHBMDSP-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317406422 1147702472 /nfs/dbraw/zinc/70/24/72/1147702472.db2.gz SETGAIVKHBMDSP-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001317686900 1147744164 /nfs/dbraw/zinc/74/41/64/1147744164.db2.gz SQUPBIRGUIJEKF-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001317686900 1147744166 /nfs/dbraw/zinc/74/41/66/1147744166.db2.gz SQUPBIRGUIJEKF-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001317686900 1147744167 /nfs/dbraw/zinc/74/41/67/1147744167.db2.gz SQUPBIRGUIJEKF-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001317720535 1147747205 /nfs/dbraw/zinc/74/72/05/1147747205.db2.gz HFBDQTROQHGDFI-KRWDZBQOSA-N 2 1 312.417 2.215 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317848883 1147757688 /nfs/dbraw/zinc/75/76/88/1147757688.db2.gz PYMIFWRZMALMKG-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317848883 1147757690 /nfs/dbraw/zinc/75/76/90/1147757690.db2.gz PYMIFWRZMALMKG-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317848883 1147757692 /nfs/dbraw/zinc/75/76/92/1147757692.db2.gz PYMIFWRZMALMKG-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001317875630 1147759797 /nfs/dbraw/zinc/75/97/97/1147759797.db2.gz JOUBPGHVKAZLMA-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204931 1147795744 /nfs/dbraw/zinc/79/57/44/1147795744.db2.gz VVBRGFRCSJDBRQ-ULQDDVLXSA-N 2 1 317.477 2.255 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324943144 1147860602 /nfs/dbraw/zinc/86/06/02/1147860602.db2.gz DPTHFBPGAARGAH-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324943144 1147860603 /nfs/dbraw/zinc/86/06/03/1147860603.db2.gz DPTHFBPGAARGAH-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264093734 529695480 /nfs/dbraw/zinc/69/54/80/529695480.db2.gz LXQQDBBPSZGZLD-LSDHHAIUSA-N 2 1 318.465 2.110 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264093734 529695482 /nfs/dbraw/zinc/69/54/82/529695482.db2.gz LXQQDBBPSZGZLD-LSDHHAIUSA-N 2 1 318.465 2.110 20 30 DEEDMP C[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181579824 199320911 /nfs/dbraw/zinc/32/09/11/199320911.db2.gz PGIVYTOWOHBOSO-LJQANCHMSA-N 2 1 312.461 2.206 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181579824 199320914 /nfs/dbraw/zinc/32/09/14/199320914.db2.gz PGIVYTOWOHBOSO-LJQANCHMSA-N 2 1 312.461 2.206 20 30 DEEDMP CN1CCC[NH+]=C1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000263116027 530000349 /nfs/dbraw/zinc/00/03/49/530000349.db2.gz LMWNLQOHIZWCFN-KRWDZBQOSA-N 2 1 300.450 2.178 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796993 362705309 /nfs/dbraw/zinc/70/53/09/362705309.db2.gz JVHHHNXQMOOKCP-QAPCUYQASA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796993 362705315 /nfs/dbraw/zinc/70/53/15/362705315.db2.gz JVHHHNXQMOOKCP-QAPCUYQASA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796985 362705499 /nfs/dbraw/zinc/70/54/99/362705499.db2.gz JVHHHNXQMOOKCP-CRAIPNDOSA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000615796985 362705504 /nfs/dbraw/zinc/70/55/04/362705504.db2.gz JVHHHNXQMOOKCP-CRAIPNDOSA-N 2 1 316.449 2.180 20 30 DEEDMP C[C@@H](CCC#N)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624976 360462952 /nfs/dbraw/zinc/46/29/52/360462952.db2.gz QKEVRLPKTNDLEC-HKUYNNGSSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624976 360462959 /nfs/dbraw/zinc/46/29/59/360462959.db2.gz QKEVRLPKTNDLEC-HKUYNNGSSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602624976 360462967 /nfs/dbraw/zinc/46/29/67/360462967.db2.gz QKEVRLPKTNDLEC-HKUYNNGSSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602624976 360462974 /nfs/dbraw/zinc/46/29/74/360462974.db2.gz QKEVRLPKTNDLEC-HKUYNNGSSA-N 2 1 315.461 2.495 20 30 DEEDMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCCCC#N ZINC000611287807 361573204 /nfs/dbraw/zinc/57/32/04/361573204.db2.gz OXAOHEMXZQWAKR-IYBDPMFKSA-N 2 1 315.417 2.029 20 30 DEEDMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCCCC#N ZINC000611287807 361573208 /nfs/dbraw/zinc/57/32/08/361573208.db2.gz OXAOHEMXZQWAKR-IYBDPMFKSA-N 2 1 315.417 2.029 20 30 DEEDMP C=CCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158878656 197308388 /nfs/dbraw/zinc/30/83/88/197308388.db2.gz FKPSARZGNBMGPR-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841309 401911887 /nfs/dbraw/zinc/91/18/87/401911887.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841309 401911890 /nfs/dbraw/zinc/91/18/90/401911890.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841309 401911892 /nfs/dbraw/zinc/91/18/92/401911892.db2.gz ZUNVHKHVCXBBMB-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000108368850 402251616 /nfs/dbraw/zinc/25/16/16/402251616.db2.gz RBFYNFRJQAAQCU-UHFFFAOYSA-N 2 1 314.433 2.349 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000178577331 402513658 /nfs/dbraw/zinc/51/36/58/402513658.db2.gz ZGMFZXJKVDZORK-MRXNPFEDSA-N 2 1 309.417 2.473 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000170908210 402540346 /nfs/dbraw/zinc/54/03/46/402540346.db2.gz YITURMRBEJHMBQ-HNNXBMFYSA-N 2 1 318.465 2.364 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000171565912 402594999 /nfs/dbraw/zinc/59/49/99/402594999.db2.gz PCLZUYSKRFWWCA-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000248837244 402610394 /nfs/dbraw/zinc/61/03/94/402610394.db2.gz NEIVTSZYCVXKRZ-ATZDWAIDSA-N 2 1 313.445 2.425 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171716906 402613910 /nfs/dbraw/zinc/61/39/10/402613910.db2.gz DLYLIUGKZFKFAL-QGZVFWFLSA-N 2 1 301.434 2.056 20 30 DEEDMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173617141 402704608 /nfs/dbraw/zinc/70/46/08/402704608.db2.gz MMTPSENCFJAOAK-OAHLLOKOSA-N 2 1 320.481 2.180 20 30 DEEDMP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274686681 403078305 /nfs/dbraw/zinc/07/83/05/403078305.db2.gz YQUMHPMEXSQIDY-KRWDZBQOSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274686681 403078307 /nfs/dbraw/zinc/07/83/07/403078307.db2.gz YQUMHPMEXSQIDY-KRWDZBQOSA-N 2 1 301.434 2.056 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277264158 403199490 /nfs/dbraw/zinc/19/94/90/403199490.db2.gz RECMCAXFPGQBEP-INIZCTEOSA-N 2 1 317.433 2.362 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277264158 403199491 /nfs/dbraw/zinc/19/94/91/403199491.db2.gz RECMCAXFPGQBEP-INIZCTEOSA-N 2 1 317.433 2.362 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000270982764 403249231 /nfs/dbraw/zinc/24/92/31/403249231.db2.gz GPQHKNSHZNLDPT-OAHLLOKOSA-N 2 1 304.438 2.103 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270982764 403249234 /nfs/dbraw/zinc/24/92/34/403249234.db2.gz GPQHKNSHZNLDPT-OAHLLOKOSA-N 2 1 304.438 2.103 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000345747057 403466999 /nfs/dbraw/zinc/46/69/99/403466999.db2.gz AZCDUQLDJQCICF-HOTGVXAUSA-N 2 1 322.497 2.151 20 30 DEEDMP CN(CCC[N@@H+](C)Cc1cccc(C#N)c1F)CC[NH+](C)C ZINC000344013796 403844960 /nfs/dbraw/zinc/84/49/60/403844960.db2.gz CSNBCHONGVDZSQ-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)C1=O ZINC000348302974 404058777 /nfs/dbraw/zinc/05/87/77/404058777.db2.gz OFHDRSXRQTVLAJ-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCn3ccnc32)CC1 ZINC000328617949 404115641 /nfs/dbraw/zinc/11/56/41/404115641.db2.gz UQODWOHSZSPFFR-OAHLLOKOSA-N 2 1 319.453 2.091 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000344478699 404167680 /nfs/dbraw/zinc/16/76/80/404167680.db2.gz JSRKNQUUXYBKSX-CYBMUJFWSA-N 2 1 305.447 2.210 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000352822440 404647332 /nfs/dbraw/zinc/64/73/32/404647332.db2.gz YERBNIKRWDUKQM-QGZVFWFLSA-N 2 1 322.497 2.201 20 30 DEEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000358150144 404755112 /nfs/dbraw/zinc/75/51/12/404755112.db2.gz ZLHNYEAJBQCIEP-MRXNPFEDSA-N 2 1 310.825 2.061 20 30 DEEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000358150144 404755114 /nfs/dbraw/zinc/75/51/14/404755114.db2.gz ZLHNYEAJBQCIEP-MRXNPFEDSA-N 2 1 310.825 2.061 20 30 DEEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000521762110 406364968 /nfs/dbraw/zinc/36/49/68/406364968.db2.gz PKQQIDOZDJGIAG-OWCLPIDISA-N 2 1 318.490 2.318 20 30 DEEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000521762108 406364993 /nfs/dbraw/zinc/36/49/93/406364993.db2.gz PKQQIDOZDJGIAG-BZUAXINKSA-N 2 1 318.490 2.318 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000491795758 406725075 /nfs/dbraw/zinc/72/50/75/406725075.db2.gz XASCHDIKCCTHAA-UHFFFAOYSA-N 2 1 308.813 2.240 20 30 DEEDMP CCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264141401 278800796 /nfs/dbraw/zinc/80/07/96/278800796.db2.gz WOXJGQKIESCKRU-INIZCTEOSA-N 2 1 304.438 2.146 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702479 335148593 /nfs/dbraw/zinc/14/85/93/335148593.db2.gz IRTVIPUOKVNLAF-DLBZAZTESA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702479 335148595 /nfs/dbraw/zinc/14/85/95/335148595.db2.gz IRTVIPUOKVNLAF-DLBZAZTESA-N 2 1 319.493 2.430 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074132533 341129581 /nfs/dbraw/zinc/12/95/81/341129581.db2.gz RJJKCRBOJJXWKC-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001357366675 1152293604 /nfs/dbraw/zinc/29/36/04/1152293604.db2.gz HXOANBBWJOMFJD-ZFWWWQNUSA-N 2 1 321.490 2.295 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001357366675 1152293610 /nfs/dbraw/zinc/29/36/10/1152293610.db2.gz HXOANBBWJOMFJD-ZFWWWQNUSA-N 2 1 321.490 2.295 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001330022883 1149036001 /nfs/dbraw/zinc/03/60/01/1149036001.db2.gz VJLOZDRSKZGYRC-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264083594 526348753 /nfs/dbraw/zinc/34/87/53/526348753.db2.gz UZDYFQXMLPFXBK-UHFFFAOYSA-N 2 1 300.450 2.151 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000264083594 526348756 /nfs/dbraw/zinc/34/87/56/526348756.db2.gz UZDYFQXMLPFXBK-UHFFFAOYSA-N 2 1 300.450 2.151 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000337638159 526590250 /nfs/dbraw/zinc/59/02/50/526590250.db2.gz DFDCDCKPHUOBMB-INIZCTEOSA-N 2 1 322.497 2.058 20 30 DEEDMP CCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264143620 528941928 /nfs/dbraw/zinc/94/19/28/528941928.db2.gz XFZGDNGZOODLBX-MRXNPFEDSA-N 2 1 304.438 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899600 529072877 /nfs/dbraw/zinc/07/28/77/529072877.db2.gz WJQPGYYNJKUZII-CHWSQXEVSA-N 2 1 302.413 2.201 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025728 529073268 /nfs/dbraw/zinc/07/32/68/529073268.db2.gz AORJJXLOLYARNL-QWHCGFSZSA-N 2 1 302.413 2.201 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633504 625363385 /nfs/dbraw/zinc/36/33/85/625363385.db2.gz ZGUYFFNOOHWBTK-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678320 625384409 /nfs/dbraw/zinc/38/44/09/625384409.db2.gz SKYDHZVQTVWWPL-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506895 625488010 /nfs/dbraw/zinc/48/80/10/625488010.db2.gz IIYSSRBLNLTVCW-UYSNPLJNSA-N 2 1 316.449 2.354 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118050 622572563 /nfs/dbraw/zinc/57/25/63/622572563.db2.gz CSRSKMLYUYCHID-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118050 622572566 /nfs/dbraw/zinc/57/25/66/622572566.db2.gz CSRSKMLYUYCHID-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502105 622746039 /nfs/dbraw/zinc/74/60/39/622746039.db2.gz CILBHKVFFZYGAG-BFYDXBDKSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970450391 623457842 /nfs/dbraw/zinc/45/78/42/623457842.db2.gz BTRACVFSMXKWDG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719257 623639343 /nfs/dbraw/zinc/63/93/43/623639343.db2.gz PGTXXMUDXQKVBJ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970926621 623796255 /nfs/dbraw/zinc/79/62/55/623796255.db2.gz ADKCYIQFQDYVFA-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736117 624018743 /nfs/dbraw/zinc/01/87/43/624018743.db2.gz KSDXQXVUIWUHKT-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971626790 624200884 /nfs/dbraw/zinc/20/08/84/624200884.db2.gz BDQCTIYHCJLVSB-CQSZACIVSA-N 2 1 307.463 2.142 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641038 624467336 /nfs/dbraw/zinc/46/73/36/624467336.db2.gz KSVSYLXCBUZQJH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000971641038 624467337 /nfs/dbraw/zinc/46/73/37/624467337.db2.gz KSVSYLXCBUZQJH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000971641038 624467339 /nfs/dbraw/zinc/46/73/39/624467339.db2.gz KSVSYLXCBUZQJH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000971641038 624467340 /nfs/dbraw/zinc/46/73/40/624467340.db2.gz KSVSYLXCBUZQJH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201157 624497212 /nfs/dbraw/zinc/49/72/12/624497212.db2.gz FRBHCKUDNNPLSX-ZNMIVQPWSA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007785308 625173009 /nfs/dbraw/zinc/17/30/09/625173009.db2.gz DLLCIQBVKRKWSA-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP CCOCCC1(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CCCC1 ZINC000156935076 625176127 /nfs/dbraw/zinc/17/61/27/625176127.db2.gz DUHBOLAIYHBBQT-MRXNPFEDSA-N 2 1 324.513 2.362 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692535 634447008 /nfs/dbraw/zinc/44/70/08/634447008.db2.gz LLHYUFVTKUEAGF-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000999491425 634619887 /nfs/dbraw/zinc/61/98/87/634619887.db2.gz ULWAHULLONJUJX-UHFFFAOYSA-N 2 1 324.856 2.338 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974584780 633164750 /nfs/dbraw/zinc/16/47/50/633164750.db2.gz RPQSKIKMERQPLS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974584780 633164754 /nfs/dbraw/zinc/16/47/54/633164754.db2.gz RPQSKIKMERQPLS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000996602140 633301279 /nfs/dbraw/zinc/30/12/79/633301279.db2.gz DWWGKFLWMLYRGE-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000996924409 633526295 /nfs/dbraw/zinc/52/62/95/633526295.db2.gz VSXJSUFONVIJCI-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027469631 633841853 /nfs/dbraw/zinc/84/18/53/633841853.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027469631 633841860 /nfs/dbraw/zinc/84/18/60/633841860.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027469631 633841862 /nfs/dbraw/zinc/84/18/62/633841862.db2.gz GYVULKSZADQFCY-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997729664 633954003 /nfs/dbraw/zinc/95/40/03/633954003.db2.gz QEXACESKNGETBW-ZOBUZTSGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)C(C)(C)C1 ZINC000977383742 633965049 /nfs/dbraw/zinc/96/50/49/633965049.db2.gz FNFLLTOXXZFVTD-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977383742 633965053 /nfs/dbraw/zinc/96/50/53/633965053.db2.gz FNFLLTOXXZFVTD-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977383742 633965055 /nfs/dbraw/zinc/96/50/55/633965055.db2.gz FNFLLTOXXZFVTD-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519849 633973243 /nfs/dbraw/zinc/97/32/43/633973243.db2.gz XUPBHIQNONRRPO-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977452190 633991568 /nfs/dbraw/zinc/99/15/68/633991568.db2.gz QZNHZOJDYGRGRB-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977452190 633991570 /nfs/dbraw/zinc/99/15/70/633991570.db2.gz QZNHZOJDYGRGRB-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452190 633991573 /nfs/dbraw/zinc/99/15/73/633991573.db2.gz QZNHZOJDYGRGRB-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452190 633991575 /nfs/dbraw/zinc/99/15/75/633991575.db2.gz QZNHZOJDYGRGRB-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997874405 634017801 /nfs/dbraw/zinc/01/78/01/634017801.db2.gz LXMQCGWEMXGVKG-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027545750 634070959 /nfs/dbraw/zinc/07/09/59/634070959.db2.gz FGECYBJIJLKQMQ-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980144781 634862136 /nfs/dbraw/zinc/86/21/36/634862136.db2.gz BNEOYZGNCDMGPP-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913656 634949436 /nfs/dbraw/zinc/94/94/36/634949436.db2.gz NIZHWPGNLDOWPE-OAHLLOKOSA-N 2 1 319.474 2.027 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913656 634949441 /nfs/dbraw/zinc/94/94/41/634949441.db2.gz NIZHWPGNLDOWPE-OAHLLOKOSA-N 2 1 319.474 2.027 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027944337 635031706 /nfs/dbraw/zinc/03/17/06/635031706.db2.gz VMEWECWUXVIWFV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000873888 635324119 /nfs/dbraw/zinc/32/41/19/635324119.db2.gz AQTJJUDAVKHRAV-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000909013 635338844 /nfs/dbraw/zinc/33/88/44/635338844.db2.gz NCOFHGYLKWTHIF-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001001010394 635378478 /nfs/dbraw/zinc/37/84/78/635378478.db2.gz TUYVVFHDOPBMHJ-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001001466467 635501831 /nfs/dbraw/zinc/50/18/31/635501831.db2.gz HSUQHSGNEPVQMR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001467917 635503481 /nfs/dbraw/zinc/50/34/81/635503481.db2.gz OVOAQZDWWGOOOJ-UHFFFAOYSA-N 2 1 313.445 2.296 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981688461 635589743 /nfs/dbraw/zinc/58/97/43/635589743.db2.gz ZWVVSRCZKGXGJZ-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160158 635629955 /nfs/dbraw/zinc/62/99/55/635629955.db2.gz UMRLRKYLUYOJLW-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812184 635666600 /nfs/dbraw/zinc/66/66/00/635666600.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812184 635666604 /nfs/dbraw/zinc/66/66/04/635666604.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812184 635666606 /nfs/dbraw/zinc/66/66/06/635666606.db2.gz ILZOEULXQUVPFO-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028204673 635822272 /nfs/dbraw/zinc/82/22/72/635822272.db2.gz BAOWUIIPCLDNIT-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267784 635985717 /nfs/dbraw/zinc/98/57/17/635985717.db2.gz OFVIWQLWMUPCCF-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267784 635985720 /nfs/dbraw/zinc/98/57/20/635985720.db2.gz OFVIWQLWMUPCCF-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389638 636145020 /nfs/dbraw/zinc/14/50/20/636145020.db2.gz VHSGNCRGIACEQZ-AKHDSKFASA-N 2 1 313.445 2.128 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573614 636351366 /nfs/dbraw/zinc/35/13/66/636351366.db2.gz SSSBSIWFFVQERE-ZDUSSCGKSA-N 2 1 307.463 2.047 20 30 DEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccccc1Cl ZINC000073762888 636459570 /nfs/dbraw/zinc/45/95/70/636459570.db2.gz KGHWTCKDCGKEKK-CYBMUJFWSA-N 2 1 308.857 2.299 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004546085 636483674 /nfs/dbraw/zinc/48/36/74/636483674.db2.gz GGMQXBLNJLEUIO-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005384271 636727760 /nfs/dbraw/zinc/72/77/60/636727760.db2.gz KZAIPKIKNSIODN-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478074 636746681 /nfs/dbraw/zinc/74/66/81/636746681.db2.gz VKOSIJMLSRWPSF-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001005999431 637064376 /nfs/dbraw/zinc/06/43/76/637064376.db2.gz XPQVGDMYSYOMMV-WBVHZDCISA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006082903 637177821 /nfs/dbraw/zinc/17/78/21/637177821.db2.gz DITOKHFAUGGXEK-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006277528 637317572 /nfs/dbraw/zinc/31/75/72/637317572.db2.gz GQLNVULZPMOJLX-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C=NN1CC[NH+](C)CC1 ZINC000747623406 638455599 /nfs/dbraw/zinc/45/55/99/638455599.db2.gz BIPLWJROYHDXFC-UHFFFAOYSA-N 2 1 302.466 2.378 20 30 DEEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C=NN1CC[NH+](C)CC1 ZINC000747623406 638455603 /nfs/dbraw/zinc/45/56/03/638455603.db2.gz BIPLWJROYHDXFC-UHFFFAOYSA-N 2 1 302.466 2.378 20 30 DEEDMP C[NH+]1CCC(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000896650615 638624007 /nfs/dbraw/zinc/62/40/07/638624007.db2.gz JJWIEXJQTIIUDR-KRWDZBQOSA-N 2 1 313.449 2.171 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987102716 640087383 /nfs/dbraw/zinc/08/73/83/640087383.db2.gz BHJKNZOCFRVGRO-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000764425066 640635009 /nfs/dbraw/zinc/63/50/09/640635009.db2.gz QRULOQMZEHEMLF-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989504978 641131188 /nfs/dbraw/zinc/13/11/88/641131188.db2.gz XNNOUIJRMXQLCA-KBPBESRZSA-N 2 1 324.856 2.338 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989515033 641133118 /nfs/dbraw/zinc/13/31/18/641133118.db2.gz OWMXRAHGLNYXEA-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP COCC[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912509175 646091120 /nfs/dbraw/zinc/09/11/20/646091120.db2.gz VUPYITJNGAMWDV-HNNXBMFYSA-N 2 1 312.502 2.087 20 30 DEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501126 646432253 /nfs/dbraw/zinc/43/22/53/646432253.db2.gz GYZKNJCGKJUFFR-HKUYNNGSSA-N 2 1 322.412 2.003 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282896 646927441 /nfs/dbraw/zinc/92/74/41/646927441.db2.gz JLQSFMRMBNFKOC-AEFFLSMTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992432238 646998290 /nfs/dbraw/zinc/99/82/90/646998290.db2.gz PYICTJJDCUFTCC-AEFFLSMTSA-N 2 1 316.449 2.042 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992435913 647001184 /nfs/dbraw/zinc/00/11/84/647001184.db2.gz VQXUYPLWZHCRBC-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435913 647001188 /nfs/dbraw/zinc/00/11/88/647001188.db2.gz VQXUYPLWZHCRBC-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435913 647001191 /nfs/dbraw/zinc/00/11/91/647001191.db2.gz VQXUYPLWZHCRBC-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316594 647595837 /nfs/dbraw/zinc/59/58/37/647595837.db2.gz RDSUKAIBMSWUMU-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316594 647595839 /nfs/dbraw/zinc/59/58/39/647595839.db2.gz RDSUKAIBMSWUMU-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993501613 647680848 /nfs/dbraw/zinc/68/08/48/647680848.db2.gz LVTWBRMXALJMLR-MAUKXSAKSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993534460 647692251 /nfs/dbraw/zinc/69/22/51/647692251.db2.gz YJANBJPHBWLIEM-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993681359 647724482 /nfs/dbraw/zinc/72/44/82/647724482.db2.gz GVCLJJRJYOFWAM-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994057683 647782543 /nfs/dbraw/zinc/78/25/43/647782543.db2.gz RFMSKCPTQNKJNQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994268351 647888862 /nfs/dbraw/zinc/88/88/62/647888862.db2.gz MCNCSYCVAUDQEP-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994268351 647888865 /nfs/dbraw/zinc/88/88/65/647888865.db2.gz MCNCSYCVAUDQEP-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000820847078 647930969 /nfs/dbraw/zinc/93/09/69/647930969.db2.gz QKPLLVJCKQNVCP-UHFFFAOYSA-N 2 1 310.401 2.314 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000820847078 647930970 /nfs/dbraw/zinc/93/09/70/647930970.db2.gz QKPLLVJCKQNVCP-UHFFFAOYSA-N 2 1 310.401 2.314 20 30 DEEDMP C=CCCN1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949012089 647981872 /nfs/dbraw/zinc/98/18/72/647981872.db2.gz NZQQTEGLYNGZDC-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000949012089 647981877 /nfs/dbraw/zinc/98/18/77/647981877.db2.gz NZQQTEGLYNGZDC-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000949012089 647981881 /nfs/dbraw/zinc/98/18/81/647981881.db2.gz NZQQTEGLYNGZDC-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122714 649005062 /nfs/dbraw/zinc/00/50/62/649005062.db2.gz BWBUYOCJTJJAAD-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098933 649156830 /nfs/dbraw/zinc/15/68/30/649156830.db2.gz DHGQYFCXVOULQQ-DZGCQCFKSA-N 2 1 321.490 2.436 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555230 649246033 /nfs/dbraw/zinc/24/60/33/649246033.db2.gz GRZBPQHMOKXSHU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755481 649422295 /nfs/dbraw/zinc/42/22/95/649422295.db2.gz FERHTXPVXGNSEY-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092272 649611253 /nfs/dbraw/zinc/61/12/53/649611253.db2.gz QCZOEXONTYFAGN-QAPCUYQASA-N 2 1 315.461 2.374 20 30 DEEDMP C[NH+]1CCN(N=CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000853255468 652530762 /nfs/dbraw/zinc/53/07/62/652530762.db2.gz CJNCEVTZKPCJDQ-UHFFFAOYSA-N 2 1 300.450 2.132 20 30 DEEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCCCCC1 ZINC000305030358 685265355 /nfs/dbraw/zinc/26/53/55/685265355.db2.gz AJVJGSDKXSMRKZ-UHFFFAOYSA-N 2 1 300.450 2.235 20 30 DEEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)N1CCCCCC1 ZINC000305030358 685265360 /nfs/dbraw/zinc/26/53/60/685265360.db2.gz AJVJGSDKXSMRKZ-UHFFFAOYSA-N 2 1 300.450 2.235 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156750 684058608 /nfs/dbraw/zinc/05/86/08/684058608.db2.gz LEAVGCIPOSMOAM-CQSZACIVSA-N 2 1 306.479 2.167 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143949 693860469 /nfs/dbraw/zinc/86/04/69/693860469.db2.gz MSRJETIHSBNMOV-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191938 693876136 /nfs/dbraw/zinc/87/61/36/693876136.db2.gz PDTRJKYTAOWKLH-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873841 685236346 /nfs/dbraw/zinc/23/63/46/685236346.db2.gz GXNAPLUWLFBWQD-INIZCTEOSA-N 2 1 318.465 2.071 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909305 685240276 /nfs/dbraw/zinc/24/02/76/685240276.db2.gz YCBJOHZHLWKVNX-IAGOWNOFSA-N 2 1 314.477 2.495 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000929779540 694026156 /nfs/dbraw/zinc/02/61/56/694026156.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000929779540 694026161 /nfs/dbraw/zinc/02/61/61/694026161.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000929779540 694026163 /nfs/dbraw/zinc/02/61/63/694026163.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000929779540 694026170 /nfs/dbraw/zinc/02/61/70/694026170.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000929779540 694026171 /nfs/dbraw/zinc/02/61/71/694026171.db2.gz BFCLDBUSKGWOMQ-MAUKXSAKSA-N 2 1 313.445 2.411 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015978278 687489419 /nfs/dbraw/zinc/48/94/19/687489419.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015978278 687489422 /nfs/dbraw/zinc/48/94/22/687489422.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015978278 687489426 /nfs/dbraw/zinc/48/94/26/687489426.db2.gz YNVNLJIMDJYUJC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016542674 687648529 /nfs/dbraw/zinc/64/85/29/687648529.db2.gz IVYBNTYUELXYJJ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016542672 687648750 /nfs/dbraw/zinc/64/87/50/687648750.db2.gz IVYBNTYUELXYJJ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017834938 687969106 /nfs/dbraw/zinc/96/91/06/687969106.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017834938 687969112 /nfs/dbraw/zinc/96/91/12/687969112.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017834938 687969116 /nfs/dbraw/zinc/96/91/16/687969116.db2.gz AZUQQQZLAHKNFM-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032799770 689263800 /nfs/dbraw/zinc/26/38/00/689263800.db2.gz LJYYTCIWTFUYGF-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143968 689402895 /nfs/dbraw/zinc/40/28/95/689402895.db2.gz OWFYUEAVGVXQIJ-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143968 689402898 /nfs/dbraw/zinc/40/28/98/689402898.db2.gz OWFYUEAVGVXQIJ-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143968 689402900 /nfs/dbraw/zinc/40/29/00/689402900.db2.gz OWFYUEAVGVXQIJ-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298027 689453346 /nfs/dbraw/zinc/45/33/46/689453346.db2.gz YEVGHXVHDMBAFT-KRWDZBQOSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466009 689510912 /nfs/dbraw/zinc/51/09/12/689510912.db2.gz BNUVRYXPRKKONL-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470658 689513107 /nfs/dbraw/zinc/51/31/07/689513107.db2.gz BYKXTXCPIVKIMN-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470658 689513108 /nfs/dbraw/zinc/51/31/08/689513108.db2.gz BYKXTXCPIVKIMN-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470658 689513111 /nfs/dbraw/zinc/51/31/11/689513111.db2.gz BYKXTXCPIVKIMN-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204704 689761942 /nfs/dbraw/zinc/76/19/42/689761942.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204704 689761945 /nfs/dbraw/zinc/76/19/45/689761945.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204704 689761948 /nfs/dbraw/zinc/76/19/48/689761948.db2.gz PGFAGKGBDDVCGF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397739 689836313 /nfs/dbraw/zinc/83/63/13/689836313.db2.gz LCKGMJUCXVNTPS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397739 689836314 /nfs/dbraw/zinc/83/63/14/689836314.db2.gz LCKGMJUCXVNTPS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397739 689836316 /nfs/dbraw/zinc/83/63/16/689836316.db2.gz LCKGMJUCXVNTPS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427477 689845761 /nfs/dbraw/zinc/84/57/61/689845761.db2.gz YIUYRCXLFAJXDH-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427477 689845764 /nfs/dbraw/zinc/84/57/64/689845764.db2.gz YIUYRCXLFAJXDH-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001034795872 689949730 /nfs/dbraw/zinc/94/97/30/689949730.db2.gz WNRDEBNKZMCMKJ-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876862674 689956989 /nfs/dbraw/zinc/95/69/89/689956989.db2.gz SWFZUNVIRWGXPQ-GOSISDBHSA-N 2 1 320.396 2.103 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CC2(C)CCN(C(=O)OCC)CC2)CC1 ZINC000877009270 689996502 /nfs/dbraw/zinc/99/65/02/689996502.db2.gz KWDMDTHGDXLGEX-UHFFFAOYSA-N 2 1 323.481 2.485 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194230 690056150 /nfs/dbraw/zinc/05/61/50/690056150.db2.gz WSLIKWURXQMMBS-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194260 690056607 /nfs/dbraw/zinc/05/66/07/690056607.db2.gz XYAOPHSCSBHVMD-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035256920 690076007 /nfs/dbraw/zinc/07/60/07/690076007.db2.gz ORLYSWCIDQDOIW-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036206461 690291117 /nfs/dbraw/zinc/29/11/17/690291117.db2.gz JXAVYEQCJWCJFY-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716533 690443246 /nfs/dbraw/zinc/44/32/46/690443246.db2.gz HLEIMENLWLUHAZ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755301 690460000 /nfs/dbraw/zinc/46/00/00/690460000.db2.gz UEJPCLLRLOGEIJ-QAPCUYQASA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759752 690461637 /nfs/dbraw/zinc/46/16/37/690461637.db2.gz QBUUGULORGKCKH-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774022 690469727 /nfs/dbraw/zinc/46/97/27/690469727.db2.gz XSBRRQVBOOFDGI-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774022 690469731 /nfs/dbraw/zinc/46/97/31/690469731.db2.gz XSBRRQVBOOFDGI-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246088 690755363 /nfs/dbraw/zinc/75/53/63/690755363.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246088 690755366 /nfs/dbraw/zinc/75/53/66/690755366.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246088 690755369 /nfs/dbraw/zinc/75/53/69/690755369.db2.gz BOPGUIASWQRGFG-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554551 690855379 /nfs/dbraw/zinc/85/53/79/690855379.db2.gz GOUCUBSBNDEESM-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039116091 691024157 /nfs/dbraw/zinc/02/41/57/691024157.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116091 691024159 /nfs/dbraw/zinc/02/41/59/691024159.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116091 691024162 /nfs/dbraw/zinc/02/41/62/691024162.db2.gz QLYFZTQBXNSLQD-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001039470437 691114066 /nfs/dbraw/zinc/11/40/66/691114066.db2.gz AZFXDFQXBQHPBZ-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040251357 691221058 /nfs/dbraw/zinc/22/10/58/691221058.db2.gz XHMXGFNDGYNCNT-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342131 691364059 /nfs/dbraw/zinc/36/40/59/691364059.db2.gz COWCVYCYCHITOE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342131 691364063 /nfs/dbraw/zinc/36/40/63/691364063.db2.gz COWCVYCYCHITOE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342131 691364067 /nfs/dbraw/zinc/36/40/67/691364067.db2.gz COWCVYCYCHITOE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041588900 691398235 /nfs/dbraw/zinc/39/82/35/691398235.db2.gz ZVFYLEUYSBESJN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588900 691398237 /nfs/dbraw/zinc/39/82/37/691398237.db2.gz ZVFYLEUYSBESJN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588900 691398241 /nfs/dbraw/zinc/39/82/41/691398241.db2.gz ZVFYLEUYSBESJN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598768 691398786 /nfs/dbraw/zinc/39/87/86/691398786.db2.gz CFHFNXDQBSSOKV-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598768 691398791 /nfs/dbraw/zinc/39/87/91/691398791.db2.gz CFHFNXDQBSSOKV-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598768 691398796 /nfs/dbraw/zinc/39/87/96/691398796.db2.gz CFHFNXDQBSSOKV-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001048510582 692634873 /nfs/dbraw/zinc/63/48/73/692634873.db2.gz ONBLTIFQTUUDAE-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048510582 692634875 /nfs/dbraw/zinc/63/48/75/692634875.db2.gz ONBLTIFQTUUDAE-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048510582 692634877 /nfs/dbraw/zinc/63/48/77/692634877.db2.gz ONBLTIFQTUUDAE-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535939 692915340 /nfs/dbraw/zinc/91/53/40/692915340.db2.gz LEUQRJONYWFYRV-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535939 692915342 /nfs/dbraw/zinc/91/53/42/692915342.db2.gz LEUQRJONYWFYRV-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535939 692915344 /nfs/dbraw/zinc/91/53/44/692915344.db2.gz LEUQRJONYWFYRV-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049717295 692973895 /nfs/dbraw/zinc/97/38/95/692973895.db2.gz HYBYTWRSQRSYPS-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717295 692973898 /nfs/dbraw/zinc/97/38/98/692973898.db2.gz HYBYTWRSQRSYPS-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717295 692973904 /nfs/dbraw/zinc/97/39/04/692973904.db2.gz HYBYTWRSQRSYPS-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760882 692991103 /nfs/dbraw/zinc/99/11/03/692991103.db2.gz HBWQQHVSGQFAFF-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760882 692991107 /nfs/dbraw/zinc/99/11/07/692991107.db2.gz HBWQQHVSGQFAFF-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157391 693124279 /nfs/dbraw/zinc/12/42/79/693124279.db2.gz DDCNVOVAIQVMSD-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050566696 693208211 /nfs/dbraw/zinc/20/82/11/693208211.db2.gz VXWVRRYXRTZRDQ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925645600 693315666 /nfs/dbraw/zinc/31/56/66/693315666.db2.gz QVTJNRCODXMYSV-YJNKEBTESA-N 2 1 314.433 2.373 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702138 693326449 /nfs/dbraw/zinc/32/64/49/693326449.db2.gz LZLITPOYJWDAFP-MOPGFXCFSA-N 2 1 324.472 2.382 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3C[C@@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702141 693326846 /nfs/dbraw/zinc/32/68/46/693326846.db2.gz LZLITPOYJWDAFP-RTBURBONSA-N 2 1 324.472 2.382 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513726 693554238 /nfs/dbraw/zinc/55/42/38/693554238.db2.gz INKQYEHTXIGZNT-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516819 693555236 /nfs/dbraw/zinc/55/52/36/693555236.db2.gz RPZWLBRUDLPTJC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516819 693555240 /nfs/dbraw/zinc/55/52/40/693555240.db2.gz RPZWLBRUDLPTJC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516819 693555244 /nfs/dbraw/zinc/55/52/44/693555244.db2.gz RPZWLBRUDLPTJC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764686 693614510 /nfs/dbraw/zinc/61/45/10/693614510.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764686 693614511 /nfs/dbraw/zinc/61/45/11/693614511.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764686 693614514 /nfs/dbraw/zinc/61/45/14/693614514.db2.gz QRUYOFNGLMNEJV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859270 693634584 /nfs/dbraw/zinc/63/45/84/693634584.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859270 693634587 /nfs/dbraw/zinc/63/45/87/693634587.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859270 693634591 /nfs/dbraw/zinc/63/45/91/693634591.db2.gz KRDAKAYAQCYJAS-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001332149082 1149826004 /nfs/dbraw/zinc/82/60/04/1149826004.db2.gz SWKJAEDNUGUHIR-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001332736102 1149886203 /nfs/dbraw/zinc/88/62/03/1149886203.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001332736102 1149886204 /nfs/dbraw/zinc/88/62/04/1149886204.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001332736102 1149886206 /nfs/dbraw/zinc/88/62/06/1149886206.db2.gz WCVRDHQBNOBKAK-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001479893859 1151113119 /nfs/dbraw/zinc/11/31/19/1151113119.db2.gz YWMDVDDRBOSZKX-AWEZNQCLSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392149557 1156876514 /nfs/dbraw/zinc/87/65/14/1156876514.db2.gz HECMWJNXCFRIJV-QLFBSQMISA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001392197052 1156888133 /nfs/dbraw/zinc/88/81/33/1156888133.db2.gz VDZGLTXMCWDRLP-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001394510690 1158599854 /nfs/dbraw/zinc/59/98/54/1158599854.db2.gz MOSKBBBSHWJUPD-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001400910647 1161844973 /nfs/dbraw/zinc/84/49/73/1161844973.db2.gz HBMLNLZZWSXZOQ-UHFFFAOYSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001401872344 1162161827 /nfs/dbraw/zinc/16/18/27/1162161827.db2.gz ODXULKNKBXBGKY-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001405969319 1164363428 /nfs/dbraw/zinc/36/34/28/1164363428.db2.gz MIWFHAGTTJKWJU-DZGCQCFKSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001418947006 1168087951 /nfs/dbraw/zinc/08/79/51/1168087951.db2.gz DOLPMUQATHMDAN-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001419937206 1168962361 /nfs/dbraw/zinc/96/23/61/1168962361.db2.gz SKHBWXQRQACHCI-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001438299374 1180329401 /nfs/dbraw/zinc/32/94/01/1180329401.db2.gz JRTAKSVWQYREQX-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001440394355 1181477519 /nfs/dbraw/zinc/47/75/19/1181477519.db2.gz DWOZFRZDUHOIGM-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001440394355 1181477522 /nfs/dbraw/zinc/47/75/22/1181477522.db2.gz DWOZFRZDUHOIGM-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001440394355 1181477526 /nfs/dbraw/zinc/47/75/26/1181477526.db2.gz DWOZFRZDUHOIGM-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001441850203 1182214311 /nfs/dbraw/zinc/21/43/11/1182214311.db2.gz AHHXETNOROANMB-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001332032686 1149811210 /nfs/dbraw/zinc/81/12/10/1149811210.db2.gz PYYFPNHSMBVGIT-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001332409697 1149857726 /nfs/dbraw/zinc/85/77/26/1149857726.db2.gz OFIYTOSHLWNVCW-SJORKVTESA-N 2 1 319.424 2.195 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225189 782701100 /nfs/dbraw/zinc/70/11/00/782701100.db2.gz OALOJFDSRKUSCM-DLBZAZTESA-N 2 1 321.509 2.203 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419420 783086391 /nfs/dbraw/zinc/08/63/91/783086391.db2.gz GDBWDJTXCLMNJS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419420 783086400 /nfs/dbraw/zinc/08/64/00/783086400.db2.gz GDBWDJTXCLMNJS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419420 783086408 /nfs/dbraw/zinc/08/64/08/783086408.db2.gz GDBWDJTXCLMNJS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158654 /nfs/dbraw/zinc/15/86/54/783158654.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158660 /nfs/dbraw/zinc/15/86/60/783158660.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493458 783158663 /nfs/dbraw/zinc/15/86/63/783158663.db2.gz XBEFTUNHICGCHD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538782 783193031 /nfs/dbraw/zinc/19/30/31/783193031.db2.gz FZMALIMAULKBAS-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563346 783212046 /nfs/dbraw/zinc/21/20/46/783212046.db2.gz QGVXSLZORAYUOW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290833 776946688 /nfs/dbraw/zinc/94/66/88/776946688.db2.gz GAGQFRUITGAMSG-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425505 777018603 /nfs/dbraw/zinc/01/86/03/777018603.db2.gz GYLLULXTHGLRSG-DLBZAZTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425120 777018863 /nfs/dbraw/zinc/01/88/63/777018863.db2.gz CALQPJAPUMJUQN-DLBZAZTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599509 777389487 /nfs/dbraw/zinc/38/94/87/777389487.db2.gz ZTSWCPHESVXURS-AQFXKWCLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986883 777923469 /nfs/dbraw/zinc/92/34/69/777923469.db2.gz FIUZMIUECORYSB-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009574 777984741 /nfs/dbraw/zinc/98/47/41/777984741.db2.gz JNFCZQQNQUWVMO-WMZOPIPTSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602681 779373816 /nfs/dbraw/zinc/37/38/16/779373816.db2.gz ZUBCQNKNIHKKLB-OKZBNKHCSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001088347850 780005880 /nfs/dbraw/zinc/00/58/80/780005880.db2.gz DNVLXUQDQAKBAP-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426396 780120076 /nfs/dbraw/zinc/12/00/76/780120076.db2.gz JPYIKCKIVLORMH-HZPDHXFCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344365 780861077 /nfs/dbraw/zinc/86/10/77/780861077.db2.gz AIFBYAWKEQDZCI-QGZVFWFLSA-N 2 1 315.461 2.351 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001091057915 790872903 /nfs/dbraw/zinc/87/29/03/790872903.db2.gz GNZSADUMJSMAIX-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069522 783311504 /nfs/dbraw/zinc/31/15/04/783311504.db2.gz IGUWHHNCPUSZIU-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244722 783391437 /nfs/dbraw/zinc/39/14/37/783391437.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948244722 783391446 /nfs/dbraw/zinc/39/14/46/783391446.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948244722 783391449 /nfs/dbraw/zinc/39/14/49/783391449.db2.gz IYSIAIMGCJTLDE-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102528 783563041 /nfs/dbraw/zinc/56/30/41/783563041.db2.gz JBJFREMEILSXFN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085224938 783591099 /nfs/dbraw/zinc/59/10/99/783591099.db2.gz BBNRHCGHSMXIEW-OAGGEKHMSA-N 2 1 316.449 2.354 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090408 783881311 /nfs/dbraw/zinc/88/13/11/783881311.db2.gz TYSJRWMITIOIJU-RDTXWAMCSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205552 783906144 /nfs/dbraw/zinc/90/61/44/783906144.db2.gz LFRSVFKDCAHSSE-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668884 783943420 /nfs/dbraw/zinc/94/34/20/783943420.db2.gz MUIDLXTVPHUENJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376730 783970892 /nfs/dbraw/zinc/97/08/92/783970892.db2.gz JUUKDEGOHUJSJO-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901800 784193867 /nfs/dbraw/zinc/19/38/67/784193867.db2.gz NHFWOEIAPDEUHT-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330510 784293500 /nfs/dbraw/zinc/29/35/00/784293500.db2.gz AAYWSXCKCKOBDZ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919981 784650597 /nfs/dbraw/zinc/65/05/97/784650597.db2.gz NCUHCPGKWITDIS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919981 784650600 /nfs/dbraw/zinc/65/06/00/784650600.db2.gz NCUHCPGKWITDIS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919981 784650604 /nfs/dbraw/zinc/65/06/04/784650604.db2.gz NCUHCPGKWITDIS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919981 784650605 /nfs/dbraw/zinc/65/06/05/784650605.db2.gz NCUHCPGKWITDIS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497086 784934665 /nfs/dbraw/zinc/93/46/65/784934665.db2.gz ALZWRVYUNMVZSI-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497086 784934673 /nfs/dbraw/zinc/93/46/73/784934673.db2.gz ALZWRVYUNMVZSI-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497086 784934679 /nfs/dbraw/zinc/93/46/79/784934679.db2.gz ALZWRVYUNMVZSI-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497086 784934685 /nfs/dbraw/zinc/93/46/85/784934685.db2.gz ALZWRVYUNMVZSI-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007494834 784935177 /nfs/dbraw/zinc/93/51/77/784935177.db2.gz GBTAJMDWDSHRBW-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007494834 784935180 /nfs/dbraw/zinc/93/51/80/784935180.db2.gz GBTAJMDWDSHRBW-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007494837 784936082 /nfs/dbraw/zinc/93/60/82/784936082.db2.gz GBTAJMDWDSHRBW-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007494837 784936085 /nfs/dbraw/zinc/93/60/85/784936085.db2.gz GBTAJMDWDSHRBW-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235083 791078946 /nfs/dbraw/zinc/07/89/46/791078946.db2.gz DMAAQHBBLKKYON-QZTJIDSGSA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052745 785092698 /nfs/dbraw/zinc/09/26/98/785092698.db2.gz OPCKOOMASSXALS-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](CC)CC1)CC2 ZINC001169245857 785112419 /nfs/dbraw/zinc/11/24/19/785112419.db2.gz KAPMHWCTKQEYAK-UHFFFAOYSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771701 785300004 /nfs/dbraw/zinc/30/00/04/785300004.db2.gz UXPPYBNRZBGZLU-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771701 785300009 /nfs/dbraw/zinc/30/00/09/785300009.db2.gz UXPPYBNRZBGZLU-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771701 785300017 /nfs/dbraw/zinc/30/00/17/785300017.db2.gz UXPPYBNRZBGZLU-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586253 786165234 /nfs/dbraw/zinc/16/52/34/786165234.db2.gz POYFLCGUMAQWSU-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112960490 786329503 /nfs/dbraw/zinc/32/95/03/786329503.db2.gz MGXHTZWYINFRKT-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112965466 786332014 /nfs/dbraw/zinc/33/20/14/786332014.db2.gz JUVRMKRVXBITGK-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731177 786730360 /nfs/dbraw/zinc/73/03/60/786730360.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731177 786730366 /nfs/dbraw/zinc/73/03/66/786730366.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731177 786730371 /nfs/dbraw/zinc/73/03/71/786730371.db2.gz ZNVYYYWKUZJBFO-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931685 787274316 /nfs/dbraw/zinc/27/43/16/787274316.db2.gz LDILVXJFPGQONJ-PMPSAXMXSA-N 2 1 317.433 2.252 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931685 787274317 /nfs/dbraw/zinc/27/43/17/787274317.db2.gz LDILVXJFPGQONJ-PMPSAXMXSA-N 2 1 317.433 2.252 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001130491220 787405734 /nfs/dbraw/zinc/40/57/34/787405734.db2.gz NXMRADTUGLHHBN-HNNXBMFYSA-N 2 1 320.481 2.499 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029667 787453289 /nfs/dbraw/zinc/45/32/89/787453289.db2.gz LKHJBQVOCKTOJM-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104192 787506870 /nfs/dbraw/zinc/50/68/70/787506870.db2.gz FJYAAOUYFCIKDT-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001330645235 1149228996 /nfs/dbraw/zinc/22/89/96/1149228996.db2.gz XRXQRQKFOUPXBG-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141217 787945967 /nfs/dbraw/zinc/94/59/67/787945967.db2.gz PRDBQICFLSYNDC-JKSUJKDBSA-N 2 1 316.449 2.063 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405947 788096846 /nfs/dbraw/zinc/09/68/46/788096846.db2.gz RXAFAEMPABWMLR-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405947 788096855 /nfs/dbraw/zinc/09/68/55/788096855.db2.gz RXAFAEMPABWMLR-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406021 788097043 /nfs/dbraw/zinc/09/70/43/788097043.db2.gz UFWWTLOMHPSUJM-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406021 788097047 /nfs/dbraw/zinc/09/70/47/788097047.db2.gz UFWWTLOMHPSUJM-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132486274 788100620 /nfs/dbraw/zinc/10/06/20/788100620.db2.gz MRGLPUUIIAGHIW-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132486274 788100623 /nfs/dbraw/zinc/10/06/23/788100623.db2.gz MRGLPUUIIAGHIW-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133222341 788321351 /nfs/dbraw/zinc/32/13/51/788321351.db2.gz ODSFYGHLTSAZQI-HIFRSBDPSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850956 788632819 /nfs/dbraw/zinc/63/28/19/788632819.db2.gz SHQOBLKFSASSKG-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772728 789074127 /nfs/dbraw/zinc/07/41/27/789074127.db2.gz HFHUNYSTUFFEEH-STQMWFEESA-N 2 1 303.878 2.342 20 30 DEEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790803 789087387 /nfs/dbraw/zinc/08/73/87/789087387.db2.gz ITZMMFQDOUXUIS-GJZGRUSLSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650889 789841793 /nfs/dbraw/zinc/84/17/93/789841793.db2.gz DWJIUIMCUARLJF-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541853 791565183 /nfs/dbraw/zinc/56/51/83/791565183.db2.gz ZLLFPXCCRHSMPP-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541853 791565187 /nfs/dbraw/zinc/56/51/87/791565187.db2.gz ZLLFPXCCRHSMPP-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541853 791565193 /nfs/dbraw/zinc/56/51/93/791565193.db2.gz ZLLFPXCCRHSMPP-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772772 791611822 /nfs/dbraw/zinc/61/18/22/791611822.db2.gz CKRVGZLGTLPRBE-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001147846593 791638002 /nfs/dbraw/zinc/63/80/02/791638002.db2.gz FRMHFVAWRIOPQV-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330144 791741395 /nfs/dbraw/zinc/74/13/95/791741395.db2.gz RRPSENNTTAAHFI-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469063 791750896 /nfs/dbraw/zinc/75/08/96/791750896.db2.gz BDCHCLKTHVDFEA-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303150 791973346 /nfs/dbraw/zinc/97/33/46/791973346.db2.gz VEKDCVCQHHJWMT-LMMKCTJWSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130716 792108765 /nfs/dbraw/zinc/10/87/65/792108765.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130716 792108769 /nfs/dbraw/zinc/10/87/69/792108769.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130716 792108772 /nfs/dbraw/zinc/10/87/72/792108772.db2.gz QMVMPFMRWTZCLK-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918454 792159442 /nfs/dbraw/zinc/15/94/42/792159442.db2.gz HCRKBXNMUYLUKY-GDBMZVCRSA-N 2 1 319.449 2.215 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093226112 792296221 /nfs/dbraw/zinc/29/62/21/792296221.db2.gz VLXZAPAIOWRASW-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226112 792296230 /nfs/dbraw/zinc/29/62/30/792296230.db2.gz VLXZAPAIOWRASW-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226112 792296237 /nfs/dbraw/zinc/29/62/37/792296237.db2.gz VLXZAPAIOWRASW-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100757643 792828508 /nfs/dbraw/zinc/82/85/08/792828508.db2.gz DAHFILGAQOVYTE-UHFFFAOYSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560169 792979623 /nfs/dbraw/zinc/97/96/23/792979623.db2.gz MWZPDMRZBCDKES-SJLPKXTDSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345225 793130647 /nfs/dbraw/zinc/13/06/47/793130647.db2.gz ZVBBDKIQEKHNIW-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435324 793159420 /nfs/dbraw/zinc/15/94/20/793159420.db2.gz JFTLQBWZAXKCQY-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739282 793206730 /nfs/dbraw/zinc/20/67/30/793206730.db2.gz BIKUUQOOSFGABQ-SJLPKXTDSA-N 2 1 312.461 2.227 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337740 793273729 /nfs/dbraw/zinc/27/37/29/793273729.db2.gz SBSXVWYVJRZFAN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428850 793611632 /nfs/dbraw/zinc/61/16/32/793611632.db2.gz VWYVDGHHCVNUFH-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428850 793611636 /nfs/dbraw/zinc/61/16/36/793611636.db2.gz VWYVDGHHCVNUFH-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088427 793935795 /nfs/dbraw/zinc/93/57/95/793935795.db2.gz AMTCGXSHHLGIGA-NXHRZFHOSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550407 794141134 /nfs/dbraw/zinc/14/11/34/794141134.db2.gz ODPOFFYQLKZJAY-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562747 794823150 /nfs/dbraw/zinc/82/31/50/794823150.db2.gz IQIFLNSNPNQMDZ-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572988 794826329 /nfs/dbraw/zinc/82/63/29/794826329.db2.gz CKGHZVUYGWNMEM-OAHLLOKOSA-N 2 1 316.449 2.355 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402528 795627471 /nfs/dbraw/zinc/62/74/71/795627471.db2.gz QDVXEGXNBICRDE-UHFFFAOYSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121973810 795711071 /nfs/dbraw/zinc/71/10/71/795711071.db2.gz BDUTUKMZYMVPNA-IAGOWNOFSA-N 2 1 301.434 2.061 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614141 795721800 /nfs/dbraw/zinc/72/18/00/795721800.db2.gz CBOCNOVSDUBBOA-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001183085523 795797713 /nfs/dbraw/zinc/79/77/13/795797713.db2.gz BAAIYTIASHKSJI-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185316929 796228148 /nfs/dbraw/zinc/22/81/48/796228148.db2.gz KVCCPHQZFDPJID-ROUUACIJSA-N 2 1 321.509 2.206 20 30 DEEDMP Cc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1C#N ZINC001139725523 796416886 /nfs/dbraw/zinc/41/68/86/796416886.db2.gz SFVNQRVHXRSEIN-UHFFFAOYSA-N 2 1 312.417 2.497 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203043781 796533501 /nfs/dbraw/zinc/53/35/01/796533501.db2.gz FGORXZBKRXRUCE-IAGOWNOFSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420436 796755939 /nfs/dbraw/zinc/75/59/39/796755939.db2.gz UHMWYNLPDDDVJG-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189247195 796790587 /nfs/dbraw/zinc/79/05/87/796790587.db2.gz ZNVZRNYORNGRCR-DOTOQJQBSA-N 2 1 318.465 2.455 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433602 796828367 /nfs/dbraw/zinc/82/83/67/796828367.db2.gz RRNSJGLBCCKAJU-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433602 796828370 /nfs/dbraw/zinc/82/83/70/796828370.db2.gz RRNSJGLBCCKAJU-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190484730 797009692 /nfs/dbraw/zinc/00/96/92/797009692.db2.gz WYUWMNQSRGGURU-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484730 797009697 /nfs/dbraw/zinc/00/96/97/797009697.db2.gz WYUWMNQSRGGURU-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484730 797009700 /nfs/dbraw/zinc/00/97/00/797009700.db2.gz WYUWMNQSRGGURU-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190724332 797063758 /nfs/dbraw/zinc/06/37/58/797063758.db2.gz LYFKJEOIQDLWNM-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190724332 797063765 /nfs/dbraw/zinc/06/37/65/797063765.db2.gz LYFKJEOIQDLWNM-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190724332 797063773 /nfs/dbraw/zinc/06/37/73/797063773.db2.gz LYFKJEOIQDLWNM-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190724332 797063778 /nfs/dbraw/zinc/06/37/78/797063778.db2.gz LYFKJEOIQDLWNM-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543454 797220136 /nfs/dbraw/zinc/22/01/36/797220136.db2.gz MVLOPANNDOUXPN-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153319190 797320214 /nfs/dbraw/zinc/32/02/14/797320214.db2.gz CTMQFPLHJQGCEQ-INIZCTEOSA-N 2 1 303.450 2.179 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153319190 797320222 /nfs/dbraw/zinc/32/02/22/797320222.db2.gz CTMQFPLHJQGCEQ-INIZCTEOSA-N 2 1 303.450 2.179 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001192427115 797380637 /nfs/dbraw/zinc/38/06/37/797380637.db2.gz WKUIDAIMCKOMQR-ARFHVFGLSA-N 2 1 316.449 2.023 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850903 797411057 /nfs/dbraw/zinc/41/10/57/797411057.db2.gz NRGQUOHCQFAOCB-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850903 797411059 /nfs/dbraw/zinc/41/10/59/797411059.db2.gz NRGQUOHCQFAOCB-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850903 797411063 /nfs/dbraw/zinc/41/10/63/797411063.db2.gz NRGQUOHCQFAOCB-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850903 797411064 /nfs/dbraw/zinc/41/10/64/797411064.db2.gz NRGQUOHCQFAOCB-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266361 797702536 /nfs/dbraw/zinc/70/25/36/797702536.db2.gz QBTVRENUFYPQFR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611506 797804895 /nfs/dbraw/zinc/80/48/95/797804895.db2.gz HAFAWQZTCBOWPL-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611506 797804900 /nfs/dbraw/zinc/80/49/00/797804900.db2.gz HAFAWQZTCBOWPL-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838911 797861548 /nfs/dbraw/zinc/86/15/48/797861548.db2.gz HFKCRZFUQWYAKD-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001195652674 797940392 /nfs/dbraw/zinc/94/03/92/797940392.db2.gz SZKAPUYQVVKHPA-HNNXBMFYSA-N 2 1 304.438 2.231 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196023854 797995430 /nfs/dbraw/zinc/99/54/30/797995430.db2.gz DGQLTNBJMDMFHP-INIZCTEOSA-N 2 1 313.461 2.167 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817898 798247769 /nfs/dbraw/zinc/24/77/69/798247769.db2.gz SXRGUJSCGSEPQR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817898 798247773 /nfs/dbraw/zinc/24/77/73/798247773.db2.gz SXRGUJSCGSEPQR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817898 798247775 /nfs/dbraw/zinc/24/77/75/798247775.db2.gz SXRGUJSCGSEPQR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCCC)CC2)CC1 ZINC001198236428 798301458 /nfs/dbraw/zinc/30/14/58/798301458.db2.gz LAKPZFWJZRXHPM-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289391 798376888 /nfs/dbraw/zinc/37/68/88/798376888.db2.gz GRZZUOGOPUGFQR-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907856 798623985 /nfs/dbraw/zinc/62/39/85/798623985.db2.gz DPVOSEBOTAZKCG-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577744 798652152 /nfs/dbraw/zinc/65/21/52/798652152.db2.gz FSVSSFFNZLYLDI-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161029661 798782513 /nfs/dbraw/zinc/78/25/13/798782513.db2.gz QLZSJYHGDTXRFI-UHFFFAOYSA-N 2 1 317.433 2.279 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084875 798793417 /nfs/dbraw/zinc/79/34/17/798793417.db2.gz UXVOAWNOBCIQCG-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953351 798978698 /nfs/dbraw/zinc/97/86/98/798978698.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953351 798978703 /nfs/dbraw/zinc/97/87/03/798978703.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953351 798978710 /nfs/dbraw/zinc/97/87/10/798978710.db2.gz SYRCOQQISXDODD-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115001421 799080889 /nfs/dbraw/zinc/08/08/89/799080889.db2.gz XVXRWGXDVYSXOK-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163821760 799440576 /nfs/dbraw/zinc/44/05/76/799440576.db2.gz OZSJGJQBFFONFL-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163821758 799440774 /nfs/dbraw/zinc/44/07/74/799440774.db2.gz OZSJGJQBFFONFL-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531182 799617561 /nfs/dbraw/zinc/61/75/61/799617561.db2.gz AQRBSZKSNQBYDQ-IRXDYDNUSA-N 2 1 319.493 2.313 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531828 799618186 /nfs/dbraw/zinc/61/81/86/799618186.db2.gz UCVBXCASJLNBFT-IAGOWNOFSA-N 2 1 319.493 2.313 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569370 799747168 /nfs/dbraw/zinc/74/71/68/799747168.db2.gz XYAUQOIQBKXPCJ-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686996 799921482 /nfs/dbraw/zinc/92/14/82/799921482.db2.gz GMOAZWOQYPSZGC-KRWDZBQOSA-N 2 1 313.461 2.261 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793799 799951730 /nfs/dbraw/zinc/95/17/30/799951730.db2.gz ZPCQBRAXXOATKF-KRWDZBQOSA-N 2 1 319.493 2.008 20 30 DEEDMP C=CCOc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001204303979 800203074 /nfs/dbraw/zinc/20/30/74/800203074.db2.gz WWJGDWDMTGYHIW-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241384 800327928 /nfs/dbraw/zinc/32/79/28/800327928.db2.gz CMISMUNWVMNWEX-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340131 800344572 /nfs/dbraw/zinc/34/45/72/800344572.db2.gz UBYZGXWSLKKZKD-HNNXBMFYSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205763514 800415764 /nfs/dbraw/zinc/41/57/64/800415764.db2.gz SFJUXJOJJLLDRH-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396369 800743470 /nfs/dbraw/zinc/74/34/70/800743470.db2.gz GWFZQCKWMFBPSV-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111234013 800885814 /nfs/dbraw/zinc/88/58/14/800885814.db2.gz ZOQNGUCFLIUIAS-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111234013 800885816 /nfs/dbraw/zinc/88/58/16/800885816.db2.gz ZOQNGUCFLIUIAS-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111234013 800885821 /nfs/dbraw/zinc/88/58/21/800885821.db2.gz ZOQNGUCFLIUIAS-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358782 800965383 /nfs/dbraw/zinc/96/53/83/800965383.db2.gz NFZHCQQOFNOJBD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609824 801029721 /nfs/dbraw/zinc/02/97/21/801029721.db2.gz NFRDJYXVQQSYMB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609824 801029725 /nfs/dbraw/zinc/02/97/25/801029725.db2.gz NFRDJYXVQQSYMB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609824 801029729 /nfs/dbraw/zinc/02/97/29/801029729.db2.gz NFRDJYXVQQSYMB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646171 801042023 /nfs/dbraw/zinc/04/20/23/801042023.db2.gz FYLWDIPKONUFAA-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208646171 801042027 /nfs/dbraw/zinc/04/20/27/801042027.db2.gz FYLWDIPKONUFAA-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208646171 801042033 /nfs/dbraw/zinc/04/20/33/801042033.db2.gz FYLWDIPKONUFAA-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230090594 801360010 /nfs/dbraw/zinc/36/00/10/801360010.db2.gz OBSOAEOHEORTCK-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001230267427 801378947 /nfs/dbraw/zinc/37/89/47/801378947.db2.gz CEIMZUCRIFLGLB-CQSZACIVSA-N 2 1 304.438 2.127 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303791374 801758022 /nfs/dbraw/zinc/75/80/22/801758022.db2.gz XKWCYOURBYBTHL-MRXNPFEDSA-N 2 1 304.438 2.078 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018347 801770550 /nfs/dbraw/zinc/77/05/50/801770550.db2.gz IWNCTXIEXUFMFV-CQSZACIVSA-N 2 1 314.389 2.440 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018347 801770557 /nfs/dbraw/zinc/77/05/57/801770557.db2.gz IWNCTXIEXUFMFV-CQSZACIVSA-N 2 1 314.389 2.440 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215156013 801813907 /nfs/dbraw/zinc/81/39/07/801813907.db2.gz UUNHYTXVVSBCFB-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657020 802602129 /nfs/dbraw/zinc/60/21/29/802602129.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657020 802602130 /nfs/dbraw/zinc/60/21/30/802602130.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657020 802602132 /nfs/dbraw/zinc/60/21/32/802602132.db2.gz FWUREDVLHCDSKS-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027453 802634267 /nfs/dbraw/zinc/63/42/67/802634267.db2.gz WPLZDNANIGBWFT-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223946593 802824876 /nfs/dbraw/zinc/82/48/76/802824876.db2.gz FMKDQQWHMOLJEJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153056 802841289 /nfs/dbraw/zinc/84/12/89/802841289.db2.gz HRDRSHKCOFUXNK-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227816588 803284055 /nfs/dbraw/zinc/28/40/55/803284055.db2.gz FTJUZELNNSUDII-INIZCTEOSA-N 2 1 316.449 2.307 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529540 1149513849 /nfs/dbraw/zinc/51/38/49/1149513849.db2.gz KVEQPIJSIKJOAR-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001420000917 1169050630 /nfs/dbraw/zinc/05/06/30/1169050630.db2.gz YVCYMRVXGNKYIA-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001328787697 1148835420 /nfs/dbraw/zinc/83/54/20/1148835420.db2.gz XVLCRUOQSCZICZ-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC2CC2)CC1 ZINC001500054802 1058454905 /nfs/dbraw/zinc/45/49/05/1058454905.db2.gz USEKCYRCDXTJPH-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001500546611 1058910415 /nfs/dbraw/zinc/91/04/15/1058910415.db2.gz DIVSCOSEGGJFDQ-GOSISDBHSA-N 2 1 318.465 2.445 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001464911657 1059228618 /nfs/dbraw/zinc/22/86/18/1059228618.db2.gz YSUQTMCABHKKIO-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC=C)CC1 ZINC001502126407 1059965509 /nfs/dbraw/zinc/96/55/09/1059965509.db2.gz XSOAVTQENGDMMD-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC=C)CC1 ZINC001502126407 1059965528 /nfs/dbraw/zinc/96/55/28/1059965528.db2.gz XSOAVTQENGDMMD-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC=C)CC1 ZINC001502126407 1059965553 /nfs/dbraw/zinc/96/55/53/1059965553.db2.gz XSOAVTQENGDMMD-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC=C)CC1 ZINC001502126407 1059965567 /nfs/dbraw/zinc/96/55/67/1059965567.db2.gz XSOAVTQENGDMMD-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001502375140 1060084572 /nfs/dbraw/zinc/08/45/72/1060084572.db2.gz FJDOZVGZDRDTOL-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001502375140 1060084590 /nfs/dbraw/zinc/08/45/90/1060084590.db2.gz FJDOZVGZDRDTOL-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001502501779 1060154909 /nfs/dbraw/zinc/15/49/09/1060154909.db2.gz MLKDVPPIVUPASK-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502545759 1060173514 /nfs/dbraw/zinc/17/35/14/1060173514.db2.gz GVIPZAJSDOLEKB-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001472971352 1060628816 /nfs/dbraw/zinc/62/88/16/1060628816.db2.gz ZLWGHDNKYUWJFD-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001472971352 1060628825 /nfs/dbraw/zinc/62/88/25/1060628825.db2.gz ZLWGHDNKYUWJFD-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001505473813 1060643608 /nfs/dbraw/zinc/64/36/08/1060643608.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473813 1060643610 /nfs/dbraw/zinc/64/36/10/1060643610.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473813 1060643615 /nfs/dbraw/zinc/64/36/15/1060643615.db2.gz YQRZAKBHKFYSPV-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001479791772 1061774404 /nfs/dbraw/zinc/77/44/04/1061774404.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001479791772 1061774383 /nfs/dbraw/zinc/77/43/83/1061774383.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001479791772 1061774426 /nfs/dbraw/zinc/77/44/26/1061774426.db2.gz SGMOYRWADOQCIZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001506528007 1062085049 /nfs/dbraw/zinc/08/50/49/1062085049.db2.gz JJMCVTCLCOGHHU-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001480211617 1062468185 /nfs/dbraw/zinc/46/81/85/1062468185.db2.gz UDSYBXHFNQNUNC-VVLHAWIVSA-N 2 1 305.466 2.206 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001507027623 1062692061 /nfs/dbraw/zinc/69/20/61/1062692061.db2.gz RKLOFCOTRZSCPZ-MSOLQXFVSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001507084534 1062800933 /nfs/dbraw/zinc/80/09/33/1062800933.db2.gz HFQWLJADPOVRPI-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001508081618 1063541571 /nfs/dbraw/zinc/54/15/71/1063541571.db2.gz PHZBXSMVOPFUQI-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001493574950 1063870733 /nfs/dbraw/zinc/87/07/33/1063870733.db2.gz PFHHBBGTTFNUKK-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)CCn2ccnc2)CC1 ZINC001494202185 1064170325 /nfs/dbraw/zinc/17/03/25/1064170325.db2.gz RFNPTPATANMVCM-UHFFFAOYSA-N 2 1 318.465 2.410 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660103 1064326369 /nfs/dbraw/zinc/32/63/69/1064326369.db2.gz SYXORBPJIYUMGD-IAGOWNOFSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738835 1064394437 /nfs/dbraw/zinc/39/44/37/1064394437.db2.gz JALNHYJKEOTOFC-KRWDZBQOSA-N 2 1 315.461 2.328 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567742937 1064397619 /nfs/dbraw/zinc/39/76/19/1064397619.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742937 1064397625 /nfs/dbraw/zinc/39/76/25/1064397625.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742937 1064397631 /nfs/dbraw/zinc/39/76/31/1064397631.db2.gz VODWPWJTGKKJNJ-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001567866946 1064472142 /nfs/dbraw/zinc/47/21/42/1064472142.db2.gz YOIWCQGLMNMRRZ-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976831 1064574842 /nfs/dbraw/zinc/57/48/42/1064574842.db2.gz KQGSLOPWSNDOJW-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568106239 1064648989 /nfs/dbraw/zinc/64/89/89/1064648989.db2.gz PEEOSHNIDFCBLO-TVFCKZIOSA-N 2 1 317.477 2.044 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001568452695 1064882097 /nfs/dbraw/zinc/88/20/97/1064882097.db2.gz IWLNBVGMGWYKOD-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568483136 1064903686 /nfs/dbraw/zinc/90/36/86/1064903686.db2.gz JOOXSCJQMUUJOS-YESZJQIVSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483136 1064903697 /nfs/dbraw/zinc/90/36/97/1064903697.db2.gz JOOXSCJQMUUJOS-YESZJQIVSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483136 1064903709 /nfs/dbraw/zinc/90/37/09/1064903709.db2.gz JOOXSCJQMUUJOS-YESZJQIVSA-N 2 1 309.498 2.462 20 30 DEEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632515 1065009118 /nfs/dbraw/zinc/00/91/18/1065009118.db2.gz MFVMDXHUHSDRGR-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568669854 1065036864 /nfs/dbraw/zinc/03/68/64/1065036864.db2.gz XMWDZISCJMAMNT-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001495680441 1065048858 /nfs/dbraw/zinc/04/88/58/1065048858.db2.gz BAAVXAXUXLEQSG-SJORKVTESA-N 2 1 321.509 2.252 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001495680441 1065048869 /nfs/dbraw/zinc/04/88/69/1065048869.db2.gz BAAVXAXUXLEQSG-SJORKVTESA-N 2 1 321.509 2.252 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001569695878 1065676445 /nfs/dbraw/zinc/67/64/45/1065676445.db2.gz UHOOKNMTMLPJEJ-HKUYNNGSSA-N 2 1 315.461 2.304 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715321 1065687588 /nfs/dbraw/zinc/68/75/88/1065687588.db2.gz MOONNQRNJRNFCJ-IBGZPJMESA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001570039345 1065897939 /nfs/dbraw/zinc/89/79/39/1065897939.db2.gz KQVOWRCVKDZBNQ-XLAORIBOSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284008 1066614936 /nfs/dbraw/zinc/61/49/36/1066614936.db2.gz RMNYWHICCCYCFM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498284008 1066614943 /nfs/dbraw/zinc/61/49/43/1066614943.db2.gz RMNYWHICCCYCFM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498284008 1066614949 /nfs/dbraw/zinc/61/49/49/1066614949.db2.gz RMNYWHICCCYCFM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001498897380 1066945238 /nfs/dbraw/zinc/94/52/38/1066945238.db2.gz CXNDJTYSVIYFOM-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498978312 1066998633 /nfs/dbraw/zinc/99/86/33/1066998633.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498978312 1066998636 /nfs/dbraw/zinc/99/86/36/1066998636.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498978312 1066998640 /nfs/dbraw/zinc/99/86/40/1066998640.db2.gz AWHHXJKWOARILN-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266984128 1078480955 /nfs/dbraw/zinc/48/09/55/1078480955.db2.gz VPDSRYHKSDISLF-NVXWUHKLSA-N 2 1 303.450 2.350 20 30 DEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001499585343 1067267844 /nfs/dbraw/zinc/26/78/44/1067267844.db2.gz UFKUELRSZQBQJJ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001640015724 1078637277 /nfs/dbraw/zinc/63/72/77/1078637277.db2.gz HRAGKLAGCSUNFY-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001640015724 1078637280 /nfs/dbraw/zinc/63/72/80/1078637280.db2.gz HRAGKLAGCSUNFY-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570716703 1068091793 /nfs/dbraw/zinc/09/17/93/1068091793.db2.gz YQCKXOBTJJRAQB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570716703 1068091805 /nfs/dbraw/zinc/09/18/05/1068091805.db2.gz YQCKXOBTJJRAQB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570716703 1068091818 /nfs/dbraw/zinc/09/18/18/1068091818.db2.gz YQCKXOBTJJRAQB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825553 1068131314 /nfs/dbraw/zinc/13/13/14/1068131314.db2.gz UVHLIFKPLYRWTC-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001571336490 1068230886 /nfs/dbraw/zinc/23/08/86/1068230886.db2.gz XGIQTGBHTAQBSY-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001574756450 1069255674 /nfs/dbraw/zinc/25/56/74/1069255674.db2.gz ATZXLAFRKWRERR-LJQANCHMSA-N 2 1 311.429 2.072 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568717 1079004451 /nfs/dbraw/zinc/00/44/51/1079004451.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267568717 1079004457 /nfs/dbraw/zinc/00/44/57/1079004457.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267568717 1079004464 /nfs/dbraw/zinc/00/44/64/1079004464.db2.gz XDAKXXYUEONHPT-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001649448957 1079124185 /nfs/dbraw/zinc/12/41/85/1079124185.db2.gz HFIYURRLBOZCRW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267601564 1079138359 /nfs/dbraw/zinc/13/83/59/1079138359.db2.gz PDYJHJSODKUNAS-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001267601564 1079138364 /nfs/dbraw/zinc/13/83/64/1079138364.db2.gz PDYJHJSODKUNAS-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001267601564 1079138365 /nfs/dbraw/zinc/13/83/65/1079138365.db2.gz PDYJHJSODKUNAS-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139091 /nfs/dbraw/zinc/13/90/91/1079139091.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139095 /nfs/dbraw/zinc/13/90/95/1079139095.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001483814858 1079139101 /nfs/dbraw/zinc/13/91/01/1079139101.db2.gz FNXCUEKZSCFKHC-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001483944090 1079201123 /nfs/dbraw/zinc/20/11/23/1079201123.db2.gz OIMIJPLTJCNKBB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267613655 1079219849 /nfs/dbraw/zinc/21/98/49/1079219849.db2.gz ORHCAUFSPMYKAD-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267613655 1079219855 /nfs/dbraw/zinc/21/98/55/1079219855.db2.gz ORHCAUFSPMYKAD-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267616154 1079234254 /nfs/dbraw/zinc/23/42/54/1079234254.db2.gz YFCNZGNCCVMDLE-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001484009511 1079239795 /nfs/dbraw/zinc/23/97/95/1079239795.db2.gz OJWOFHZGMPPPFT-QGZVFWFLSA-N 2 1 321.509 2.252 20 30 DEEDMP C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481140219 1079247144 /nfs/dbraw/zinc/24/71/44/1079247144.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[NH+](CCC)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001481140219 1079247151 /nfs/dbraw/zinc/24/71/51/1079247151.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[NH+](CCC)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001481140219 1079247155 /nfs/dbraw/zinc/24/71/55/1079247155.db2.gz KVMDPTHIFGIUGO-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484163435 1079338096 /nfs/dbraw/zinc/33/80/96/1079338096.db2.gz JZZHEAVKZOULMA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484163435 1079338102 /nfs/dbraw/zinc/33/81/02/1079338102.db2.gz JZZHEAVKZOULMA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484163435 1079338105 /nfs/dbraw/zinc/33/81/05/1079338105.db2.gz JZZHEAVKZOULMA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267661468 1079352717 /nfs/dbraw/zinc/35/27/17/1079352717.db2.gz BBLLHFMNWBRGJL-CQSZACIVSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068294 1075131861 /nfs/dbraw/zinc/13/18/61/1075131861.db2.gz AMQOXMFMNUMDPL-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068294 1075131862 /nfs/dbraw/zinc/13/18/62/1075131862.db2.gz AMQOXMFMNUMDPL-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001566697887 1075320134 /nfs/dbraw/zinc/32/01/34/1075320134.db2.gz ROQCPZNWFIEMEO-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001566733647 1075329547 /nfs/dbraw/zinc/32/95/47/1075329547.db2.gz VFGONJJTKQHBDC-MSOLQXFVSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267711380 1079398841 /nfs/dbraw/zinc/39/88/41/1079398841.db2.gz UKLTZGBPPVATBW-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001567265808 1075481695 /nfs/dbraw/zinc/48/16/95/1075481695.db2.gz FFVRTHBWLOYPLQ-OAHLLOKOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267764802 1079468734 /nfs/dbraw/zinc/46/87/34/1079468734.db2.gz ZSZLFOPBMOGTRB-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267764744 1079469081 /nfs/dbraw/zinc/46/90/81/1079469081.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267764744 1079469084 /nfs/dbraw/zinc/46/90/84/1079469084.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267764744 1079469086 /nfs/dbraw/zinc/46/90/86/1079469086.db2.gz YMDKGQXAZNYKSH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001595791216 1077068658 /nfs/dbraw/zinc/06/86/58/1077068658.db2.gz XMUWHGUVNBBYEW-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001595791216 1077068664 /nfs/dbraw/zinc/06/86/64/1077068664.db2.gz XMUWHGUVNBBYEW-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001267812907 1079510581 /nfs/dbraw/zinc/51/05/81/1079510581.db2.gz IYGBSRHFHMZHIE-INIZCTEOSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484397203 1079586458 /nfs/dbraw/zinc/58/64/58/1079586458.db2.gz BZBMOYVHCRILSZ-BZSNNMDCSA-N 2 1 321.509 2.417 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481405216 1079794565 /nfs/dbraw/zinc/79/45/65/1079794565.db2.gz BKAZIMBGKJYKGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481405216 1079794571 /nfs/dbraw/zinc/79/45/71/1079794571.db2.gz BKAZIMBGKJYKGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001481405216 1079794578 /nfs/dbraw/zinc/79/45/78/1079794578.db2.gz BKAZIMBGKJYKGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481405216 1079794584 /nfs/dbraw/zinc/79/45/84/1079794584.db2.gz BKAZIMBGKJYKGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481465839 1079918212 /nfs/dbraw/zinc/91/82/12/1079918212.db2.gz VSTQUJJHYZXMJT-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001485045220 1079928257 /nfs/dbraw/zinc/92/82/57/1079928257.db2.gz PMPPZAGLGLQLAC-IEBWSBKVSA-N 2 1 315.461 2.276 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001481510580 1079973666 /nfs/dbraw/zinc/97/36/66/1079973666.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481510580 1079973671 /nfs/dbraw/zinc/97/36/71/1079973671.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481510580 1079973674 /nfs/dbraw/zinc/97/36/74/1079973674.db2.gz YZYOTECHKBCPSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001673202388 1079992288 /nfs/dbraw/zinc/99/22/88/1079992288.db2.gz WWNPMWKROYQRKH-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001481521903 1079992395 /nfs/dbraw/zinc/99/23/95/1079992395.db2.gz WVROSYMBPAYKES-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001481521903 1079992402 /nfs/dbraw/zinc/99/24/02/1079992402.db2.gz WVROSYMBPAYKES-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCC)CC1 ZINC001656108946 1080048152 /nfs/dbraw/zinc/04/81/52/1080048152.db2.gz ARTYAJVEBZJYQN-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001656376733 1080082275 /nfs/dbraw/zinc/08/22/75/1080082275.db2.gz DTUZAQNOGYKDJP-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001656681586 1080113146 /nfs/dbraw/zinc/11/31/46/1080113146.db2.gz GOTVQRPYHMZISL-IBGZPJMESA-N 2 1 319.493 2.104 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001656909881 1080138234 /nfs/dbraw/zinc/13/82/34/1080138234.db2.gz SIPPSGMVSQHFTH-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001272699308 1080164930 /nfs/dbraw/zinc/16/49/30/1080164930.db2.gz GOBHCFUYGSBPJE-SFHVURJKSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001481669450 1080277255 /nfs/dbraw/zinc/27/72/55/1080277255.db2.gz MWKIVPYGCOZXPU-GOSISDBHSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001485668769 1080355259 /nfs/dbraw/zinc/35/52/59/1080355259.db2.gz FOEIAWKCRCCNGX-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001485706477 1080372663 /nfs/dbraw/zinc/37/26/63/1080372663.db2.gz HMHWHCMEPPNFGL-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662863826 1080669332 /nfs/dbraw/zinc/66/93/32/1080669332.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662863826 1080669339 /nfs/dbraw/zinc/66/93/39/1080669339.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662863826 1080669347 /nfs/dbraw/zinc/66/93/47/1080669347.db2.gz ZPNCXFDUEWYPDD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662863825 1080670023 /nfs/dbraw/zinc/67/00/23/1080670023.db2.gz ZPNCXFDUEWYPDD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001662863825 1080670029 /nfs/dbraw/zinc/67/00/29/1080670029.db2.gz ZPNCXFDUEWYPDD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001662863825 1080670032 /nfs/dbraw/zinc/67/00/32/1080670032.db2.gz ZPNCXFDUEWYPDD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001663744411 1080812386 /nfs/dbraw/zinc/81/23/86/1080812386.db2.gz SQLZHDMGODFUQM-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001666547047 1081161612 /nfs/dbraw/zinc/16/16/12/1081161612.db2.gz NMFMHRCYICVMLU-IRXDYDNUSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666619626 1081167736 /nfs/dbraw/zinc/16/77/36/1081167736.db2.gz HJZQAYZMQZCNLF-RHSMWYFYSA-N 2 1 313.461 2.117 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269350100 1081223612 /nfs/dbraw/zinc/22/36/12/1081223612.db2.gz YFGJCQNXZJAFRP-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269350100 1081223615 /nfs/dbraw/zinc/22/36/15/1081223615.db2.gz YFGJCQNXZJAFRP-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001269533050 1081281064 /nfs/dbraw/zinc/28/10/64/1081281064.db2.gz NBYWFCNOYPWCAF-HOTGVXAUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001269597856 1081302735 /nfs/dbraw/zinc/30/27/35/1081302735.db2.gz PQFBCGHCVJCKLU-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001269597856 1081302740 /nfs/dbraw/zinc/30/27/40/1081302740.db2.gz PQFBCGHCVJCKLU-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001269597856 1081302746 /nfs/dbraw/zinc/30/27/46/1081302746.db2.gz PQFBCGHCVJCKLU-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269693822 1081337229 /nfs/dbraw/zinc/33/72/29/1081337229.db2.gz ZUPHYUXQZYUUPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269693822 1081337232 /nfs/dbraw/zinc/33/72/32/1081337232.db2.gz ZUPHYUXQZYUUPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269693822 1081337237 /nfs/dbraw/zinc/33/72/37/1081337237.db2.gz ZUPHYUXQZYUUPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269699790 1081337346 /nfs/dbraw/zinc/33/73/46/1081337346.db2.gz JNEMEWFDWMHSNG-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269699790 1081337351 /nfs/dbraw/zinc/33/73/51/1081337351.db2.gz JNEMEWFDWMHSNG-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269699790 1081337357 /nfs/dbraw/zinc/33/73/57/1081337357.db2.gz JNEMEWFDWMHSNG-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001671842783 1081542932 /nfs/dbraw/zinc/54/29/32/1081542932.db2.gz NRJBHQOBASUXRL-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270640736 1081580206 /nfs/dbraw/zinc/58/02/06/1081580206.db2.gz CQEDROXPNPGNIP-KRWDZBQOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270640736 1081580210 /nfs/dbraw/zinc/58/02/10/1081580210.db2.gz CQEDROXPNPGNIP-KRWDZBQOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952406511 1081705528 /nfs/dbraw/zinc/70/55/28/1081705528.db2.gz CTXUJVVWIILRNP-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952406511 1081705534 /nfs/dbraw/zinc/70/55/34/1081705534.db2.gz CTXUJVVWIILRNP-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)C[C@H](C)CC)CC1 ZINC001673491883 1081776016 /nfs/dbraw/zinc/77/60/16/1081776016.db2.gz SUEYFHRLQZRNKU-QGZVFWFLSA-N 2 1 321.509 2.158 20 30 DEEDMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001270907158 1081829979 /nfs/dbraw/zinc/82/99/79/1081829979.db2.gz XNBWHLYJVGVEOZ-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001270911963 1081834573 /nfs/dbraw/zinc/83/45/73/1081834573.db2.gz UREGEDMZABQNHH-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001674457812 1081875372 /nfs/dbraw/zinc/87/53/72/1081875372.db2.gz NRHVNKVLMAAJQK-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674462991 1081875529 /nfs/dbraw/zinc/87/55/29/1081875529.db2.gz CTRMDVYNCGJSPN-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001674462991 1081875531 /nfs/dbraw/zinc/87/55/31/1081875531.db2.gz CTRMDVYNCGJSPN-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674462991 1081875537 /nfs/dbraw/zinc/87/55/37/1081875537.db2.gz CTRMDVYNCGJSPN-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674504605 1081883609 /nfs/dbraw/zinc/88/36/09/1081883609.db2.gz FYZAZWMKCFIYRZ-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504605 1081883615 /nfs/dbraw/zinc/88/36/15/1081883615.db2.gz FYZAZWMKCFIYRZ-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504605 1081883619 /nfs/dbraw/zinc/88/36/19/1081883619.db2.gz FYZAZWMKCFIYRZ-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001271717912 1082118556 /nfs/dbraw/zinc/11/85/56/1082118556.db2.gz YAYOTEAQWGSENJ-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001482508285 1082130343 /nfs/dbraw/zinc/13/03/43/1082130343.db2.gz QSBMGHJLSHPQCJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482508285 1082130350 /nfs/dbraw/zinc/13/03/50/1082130350.db2.gz QSBMGHJLSHPQCJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001482508285 1082130354 /nfs/dbraw/zinc/13/03/54/1082130354.db2.gz QSBMGHJLSHPQCJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCCC=C)CC1 ZINC001671507702 1082165801 /nfs/dbraw/zinc/16/58/01/1082165801.db2.gz GTNOLANHRFEMQG-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266752774 1082322944 /nfs/dbraw/zinc/32/29/44/1082322944.db2.gz WRGJPWHWNYGOAX-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266884061 1082427923 /nfs/dbraw/zinc/42/79/23/1082427923.db2.gz KOHTUJJTALWJHQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001482841699 1082526907 /nfs/dbraw/zinc/52/69/07/1082526907.db2.gz LXLIJHKLPVUVQL-SJORKVTESA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001482841699 1082526910 /nfs/dbraw/zinc/52/69/10/1082526910.db2.gz LXLIJHKLPVUVQL-SJORKVTESA-N 2 1 321.509 2.395 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585543 1083499116 /nfs/dbraw/zinc/49/91/16/1083499116.db2.gz FZBVWUSFMUXRFT-IEBWSBKVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001277259404 1083878710 /nfs/dbraw/zinc/87/87/10/1083878710.db2.gz MSKXWHWYBYCOCP-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001491561422 1084155015 /nfs/dbraw/zinc/15/50/15/1084155015.db2.gz VUUUIGQAYRDKQP-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C ZINC001272837546 1084361787 /nfs/dbraw/zinc/36/17/87/1084361787.db2.gz JDJORQSXLPPQFF-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C ZINC001272837546 1084361799 /nfs/dbraw/zinc/36/17/99/1084361799.db2.gz JDJORQSXLPPQFF-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722017 1084512837 /nfs/dbraw/zinc/51/28/37/1084512837.db2.gz HZJORSRWQSWPFT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001272925697 1084620660 /nfs/dbraw/zinc/62/06/60/1084620660.db2.gz ACZOGPLQCKDNQF-MRXNPFEDSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001486376477 1085248111 /nfs/dbraw/zinc/24/81/11/1085248111.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001486376477 1085248121 /nfs/dbraw/zinc/24/81/21/1085248121.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001486376477 1085248128 /nfs/dbraw/zinc/24/81/28/1085248128.db2.gz FSMNFOFGJWVEBK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029359 1086034158 /nfs/dbraw/zinc/03/41/58/1086034158.db2.gz BUBXKJRZTPLGLW-LJQANCHMSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927309 1086600067 /nfs/dbraw/zinc/60/00/67/1086600067.db2.gz RFLQSEQYGNWWTK-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144800 1086810045 /nfs/dbraw/zinc/81/00/45/1086810045.db2.gz SQNFUSDRULYZOJ-IRXDYDNUSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502053 1088181004 /nfs/dbraw/zinc/18/10/04/1088181004.db2.gz NAQCPPZNKIGAEV-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502053 1088181014 /nfs/dbraw/zinc/18/10/14/1088181014.db2.gz NAQCPPZNKIGAEV-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502053 1088181029 /nfs/dbraw/zinc/18/10/29/1088181029.db2.gz NAQCPPZNKIGAEV-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789592 1088404252 /nfs/dbraw/zinc/40/42/52/1088404252.db2.gz MSCYFXVZEFGJMR-UKRRQHHQSA-N 2 1 321.490 2.436 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789592 1088404265 /nfs/dbraw/zinc/40/42/65/1088404265.db2.gz MSCYFXVZEFGJMR-UKRRQHHQSA-N 2 1 321.490 2.436 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318246 1088814322 /nfs/dbraw/zinc/81/43/22/1088814322.db2.gz LMMNHCUHNLXQMT-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318246 1088814335 /nfs/dbraw/zinc/81/43/35/1088814335.db2.gz LMMNHCUHNLXQMT-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318246 1088814363 /nfs/dbraw/zinc/81/43/63/1088814363.db2.gz LMMNHCUHNLXQMT-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080623856 1089104190 /nfs/dbraw/zinc/10/41/90/1089104190.db2.gz LYQKJEHMDUGBQU-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699760 1090054729 /nfs/dbraw/zinc/05/47/29/1090054729.db2.gz WJUKRNHTHLLZNG-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488214 1090307356 /nfs/dbraw/zinc/30/73/56/1090307356.db2.gz QJXOVBJYMAFIKI-NVXWUHKLSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101206 1090645677 /nfs/dbraw/zinc/64/56/77/1090645677.db2.gz HAWDTNHIYFUZPB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101206 1090645682 /nfs/dbraw/zinc/64/56/82/1090645682.db2.gz HAWDTNHIYFUZPB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101206 1090645684 /nfs/dbraw/zinc/64/56/84/1090645684.db2.gz HAWDTNHIYFUZPB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001276070849 1091507398 /nfs/dbraw/zinc/50/73/98/1091507398.db2.gz OJNZTSBYRLMBJX-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001276138996 1091587419 /nfs/dbraw/zinc/58/74/19/1091587419.db2.gz SDPCGQHHRFZJHA-INIZCTEOSA-N 2 1 318.465 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001275580906 1091884063 /nfs/dbraw/zinc/88/40/63/1091884063.db2.gz UGYFYGKAMNYROB-JKSUJKDBSA-N 2 1 303.450 2.177 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275580906 1091884066 /nfs/dbraw/zinc/88/40/66/1091884066.db2.gz UGYFYGKAMNYROB-JKSUJKDBSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653541 1091949750 /nfs/dbraw/zinc/94/97/50/1091949750.db2.gz DIESDHJGBCVYEC-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653541 1091949756 /nfs/dbraw/zinc/94/97/56/1091949756.db2.gz DIESDHJGBCVYEC-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653541 1091949764 /nfs/dbraw/zinc/94/97/64/1091949764.db2.gz DIESDHJGBCVYEC-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001275718248 1092036631 /nfs/dbraw/zinc/03/66/31/1092036631.db2.gz WDNVUUYRAUAWJF-UHFFFAOYSA-N 2 1 306.454 2.267 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688165 1092688211 /nfs/dbraw/zinc/68/82/11/1092688211.db2.gz GTOUSULMRMGVEG-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688165 1092688217 /nfs/dbraw/zinc/68/82/17/1092688217.db2.gz GTOUSULMRMGVEG-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030329 /nfs/dbraw/zinc/03/03/29/1093030329.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030336 /nfs/dbraw/zinc/03/03/36/1093030336.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001489342568 1093030343 /nfs/dbraw/zinc/03/03/43/1093030343.db2.gz QHCZEOSRUCCUOV-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691713837 1138209882 /nfs/dbraw/zinc/20/98/82/1138209882.db2.gz VYVDMSFXLCAGMY-MWDXBVQZSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316661049 1139834811 /nfs/dbraw/zinc/83/48/11/1139834811.db2.gz ZEKWZTKXUHKHME-IXDOHACOSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318483670 1140346854 /nfs/dbraw/zinc/34/68/54/1140346854.db2.gz GPGUFQVRBQJNKB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318483670 1140346864 /nfs/dbraw/zinc/34/68/64/1140346864.db2.gz GPGUFQVRBQJNKB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318483670 1140346878 /nfs/dbraw/zinc/34/68/78/1140346878.db2.gz GPGUFQVRBQJNKB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318822621 1140427877 /nfs/dbraw/zinc/42/78/77/1140427877.db2.gz BYFRAXBTXRZRJA-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278395773 1140521112 /nfs/dbraw/zinc/52/11/12/1140521112.db2.gz KSPMTXUIAQPKMC-CRAIPNDOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278395773 1140521128 /nfs/dbraw/zinc/52/11/28/1140521128.db2.gz KSPMTXUIAQPKMC-CRAIPNDOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001319394156 1140561790 /nfs/dbraw/zinc/56/17/90/1140561790.db2.gz CGKCWWAMYIHVOR-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001319918467 1140803699 /nfs/dbraw/zinc/80/36/99/1140803699.db2.gz PJPKSAXGSQYFPK-DLBZAZTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001246304141 1140882774 /nfs/dbraw/zinc/88/27/74/1140882774.db2.gz JKYUDEGPVUXLIW-XHSDSOJGSA-N 2 1 314.470 2.397 20 30 DEEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246526217 1140935348 /nfs/dbraw/zinc/93/53/48/1140935348.db2.gz NXJQOMOUMQPYEV-MRXNPFEDSA-N 2 1 321.465 2.239 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894197 /nfs/dbraw/zinc/89/41/97/1141894197.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894198 /nfs/dbraw/zinc/89/41/98/1141894198.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323860196 1141894199 /nfs/dbraw/zinc/89/41/99/1141894199.db2.gz OQVIDTZNUXKYQK-SFHVURJKSA-N 2 1 307.482 2.075 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252130813 1142651455 /nfs/dbraw/zinc/65/14/55/1142651455.db2.gz YLHBETGFUUQUQP-GOSISDBHSA-N 2 1 313.530 2.277 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001252496714 1142735118 /nfs/dbraw/zinc/73/51/18/1142735118.db2.gz DFWYTKQTUBBRTG-GOSISDBHSA-N 2 1 318.461 2.194 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001278673803 1142774794 /nfs/dbraw/zinc/77/47/94/1142774794.db2.gz VWIUQVXCRNOPFH-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001340882336 1143480449 /nfs/dbraw/zinc/48/04/49/1143480449.db2.gz XTAYWBDDYOJBGR-JQHSSLGASA-N 2 1 315.461 2.449 20 30 DEEDMP C=C(C)C(=O)OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258135182 1143976762 /nfs/dbraw/zinc/97/67/62/1143976762.db2.gz RKHNYKOKRCWGPN-UHFFFAOYSA-N 2 1 316.445 2.402 20 30 DEEDMP C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001261179378 1144225079 /nfs/dbraw/zinc/22/50/79/1144225079.db2.gz ISRJOZIGYZWLBG-QGZVFWFLSA-N 2 1 303.425 2.325 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652190 1144585901 /nfs/dbraw/zinc/58/59/01/1144585901.db2.gz XLQXOGKAZBASDW-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001265085202 1144639682 /nfs/dbraw/zinc/63/96/82/1144639682.db2.gz BQVFRRSQJQSHSM-HOTGVXAUSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265217520 1144669703 /nfs/dbraw/zinc/66/97/03/1144669703.db2.gz XUOMHIWIWDUHND-JKSUJKDBSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265587144 1144715229 /nfs/dbraw/zinc/71/52/29/1144715229.db2.gz WWBRPQQEVMMZIA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265587144 1144715231 /nfs/dbraw/zinc/71/52/31/1144715231.db2.gz WWBRPQQEVMMZIA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265587144 1144715234 /nfs/dbraw/zinc/71/52/34/1144715234.db2.gz WWBRPQQEVMMZIA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266219132 1144815562 /nfs/dbraw/zinc/81/55/62/1144815562.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266219132 1144815563 /nfs/dbraw/zinc/81/55/63/1144815563.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266219132 1144815564 /nfs/dbraw/zinc/81/55/64/1144815564.db2.gz WEFHKVKMOPMVFZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001280394304 1144837800 /nfs/dbraw/zinc/83/78/00/1144837800.db2.gz ILLQWUJZJWMIOS-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001280864497 1144860221 /nfs/dbraw/zinc/86/02/21/1144860221.db2.gz PRQTWWGVUZZRSP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001280864497 1144860222 /nfs/dbraw/zinc/86/02/22/1144860222.db2.gz PRQTWWGVUZZRSP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001280864497 1144860223 /nfs/dbraw/zinc/86/02/23/1144860223.db2.gz PRQTWWGVUZZRSP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951270 1144923309 /nfs/dbraw/zinc/92/33/09/1144923309.db2.gz YUXJYOBCDZLYKI-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951270 1144923312 /nfs/dbraw/zinc/92/33/12/1144923312.db2.gz YUXJYOBCDZLYKI-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001282311156 1145032950 /nfs/dbraw/zinc/03/29/50/1145032950.db2.gz YRQNRFJJGAJVFO-KRWDZBQOSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001282558124 1145086716 /nfs/dbraw/zinc/08/67/16/1145086716.db2.gz MQQNTBQTGCGXHC-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@H]12 ZINC001284056458 1145777807 /nfs/dbraw/zinc/77/78/07/1145777807.db2.gz GZRDFDARYCJTAU-DOTOQJQBSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@H]12 ZINC001284056458 1145777811 /nfs/dbraw/zinc/77/78/11/1145777811.db2.gz GZRDFDARYCJTAU-DOTOQJQBSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284067547 1145783116 /nfs/dbraw/zinc/78/31/16/1145783116.db2.gz LXQYZXZBGOAPSK-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292274514 1146851358 /nfs/dbraw/zinc/85/13/58/1146851358.db2.gz RBBCEJYNMGLLSQ-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001491829146 1146906257 /nfs/dbraw/zinc/90/62/57/1146906257.db2.gz GCCANKWMAGOMHT-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001492176948 1147117859 /nfs/dbraw/zinc/11/78/59/1147117859.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492176948 1147117864 /nfs/dbraw/zinc/11/78/64/1147117864.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492176948 1147117872 /nfs/dbraw/zinc/11/78/72/1147117872.db2.gz BHCGSVSAHXZEDJ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001317186991 1147673217 /nfs/dbraw/zinc/67/32/17/1147673217.db2.gz CHWMFAYSCVWPFT-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434517 1147707906 /nfs/dbraw/zinc/70/79/06/1147707906.db2.gz JCJVMLDMXUPZFE-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001317723590 1147747401 /nfs/dbraw/zinc/74/74/01/1147747401.db2.gz HPODGSLLWMBWPJ-QGZVFWFLSA-N 2 1 315.461 2.045 20 30 DEEDMP C#CC[NH+]1CC[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317786475 1147752280 /nfs/dbraw/zinc/75/22/80/1147752280.db2.gz AQHKHSLEIUWAPN-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317786475 1147752282 /nfs/dbraw/zinc/75/22/82/1147752282.db2.gz AQHKHSLEIUWAPN-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317786475 1147752284 /nfs/dbraw/zinc/75/22/84/1147752284.db2.gz AQHKHSLEIUWAPN-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675701 1147829546 /nfs/dbraw/zinc/82/95/46/1147829546.db2.gz ZFYSZPSFMDHZAH-PBHICJAKSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675701 1147829549 /nfs/dbraw/zinc/82/95/49/1147829549.db2.gz ZFYSZPSFMDHZAH-PBHICJAKSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681862 1147830924 /nfs/dbraw/zinc/83/09/24/1147830924.db2.gz XHQVMABHAXAWAK-SFHVURJKSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001324970614 1147862645 /nfs/dbraw/zinc/86/26/45/1147862645.db2.gz AQDJIRIURNWMRX-KRWDZBQOSA-N 2 1 304.438 2.137 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001325655097 1147976449 /nfs/dbraw/zinc/97/64/49/1147976449.db2.gz AYUPUHIPWDBSDV-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001325778777 1147999048 /nfs/dbraw/zinc/99/90/48/1147999048.db2.gz LYWQMIVHZWGQAD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325778777 1147999052 /nfs/dbraw/zinc/99/90/52/1147999052.db2.gz LYWQMIVHZWGQAD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325778777 1147999054 /nfs/dbraw/zinc/99/90/54/1147999054.db2.gz LYWQMIVHZWGQAD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839795 1148006990 /nfs/dbraw/zinc/00/69/90/1148006990.db2.gz GHKKBSCUVTZPHB-MRXNPFEDSA-N 2 1 314.433 2.208 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897216 1148015615 /nfs/dbraw/zinc/01/56/15/1148015615.db2.gz JQUIZCJRHYMEGV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001325956007 1148024193 /nfs/dbraw/zinc/02/41/93/1148024193.db2.gz OHHWHRHHMMUBEF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001325956007 1148024198 /nfs/dbraw/zinc/02/41/98/1148024198.db2.gz OHHWHRHHMMUBEF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001325956007 1148024203 /nfs/dbraw/zinc/02/42/03/1148024203.db2.gz OHHWHRHHMMUBEF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001325957049 1148024607 /nfs/dbraw/zinc/02/46/07/1148024607.db2.gz XOINZSXOTZIWDO-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001326526099 1148132549 /nfs/dbraw/zinc/13/25/49/1148132549.db2.gz ZXIMROKUOBUACX-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001368101034 1148224363 /nfs/dbraw/zinc/22/43/63/1148224363.db2.gz DVXFVDOUPODUPZ-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633086 529844342 /nfs/dbraw/zinc/84/43/42/529844342.db2.gz USUDWSMCAHEKKX-KRWDZBQOSA-N 2 1 306.498 2.417 20 30 DEEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000047977307 354337123 /nfs/dbraw/zinc/33/71/23/354337123.db2.gz DJDCYFXTWHSJBM-GOSISDBHSA-N 2 1 322.497 2.095 20 30 DEEDMP COCCNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000066242954 354705430 /nfs/dbraw/zinc/70/54/30/354705430.db2.gz GZEARJREPWCPIC-OAHLLOKOSA-N 2 1 324.856 2.028 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N[C@H]1C[C@@H]1C ZINC000083910151 355471212 /nfs/dbraw/zinc/47/12/12/355471212.db2.gz SACUMAWELNUGBB-AEGPPILISA-N 2 1 304.438 2.298 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000578997899 356904991 /nfs/dbraw/zinc/90/49/91/356904991.db2.gz LLMNXWMCNQDNGJ-GOSISDBHSA-N 2 1 318.461 2.283 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660598508 540309906 /nfs/dbraw/zinc/30/99/06/540309906.db2.gz ZSXVPSZHYYAKPT-MRXNPFEDSA-N 2 1 322.497 2.199 20 30 DEEDMP C=CCSCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963175 360211035 /nfs/dbraw/zinc/21/10/35/360211035.db2.gz COXZTPWEBLPXHZ-QGZVFWFLSA-N 2 1 306.475 2.132 20 30 DEEDMP C=CCSCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963175 360211036 /nfs/dbraw/zinc/21/10/36/360211036.db2.gz COXZTPWEBLPXHZ-QGZVFWFLSA-N 2 1 306.475 2.132 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000602556086 360430671 /nfs/dbraw/zinc/43/06/71/360430671.db2.gz QJWKMLSTDMQEKA-QRQLOZEOSA-N 2 1 315.461 2.399 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000602556086 360430678 /nfs/dbraw/zinc/43/06/78/360430678.db2.gz QJWKMLSTDMQEKA-QRQLOZEOSA-N 2 1 315.461 2.399 20 30 DEEDMP C=CCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158878787 197308269 /nfs/dbraw/zinc/30/82/69/197308269.db2.gz FKPSARZGNBMGPR-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000112560272 401749405 /nfs/dbraw/zinc/74/94/05/401749405.db2.gz GRTMMYVSGUPEPS-JZXOWHBKSA-N 2 1 318.465 2.251 20 30 DEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@H](C)O1 ZINC000112560272 401749409 /nfs/dbraw/zinc/74/94/09/401749409.db2.gz GRTMMYVSGUPEPS-JZXOWHBKSA-N 2 1 318.465 2.251 20 30 DEEDMP C#CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000113340782 401776630 /nfs/dbraw/zinc/77/66/30/401776630.db2.gz DWTIMCKUZPQSOQ-GOSISDBHSA-N 2 1 316.445 2.025 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158470657 402306573 /nfs/dbraw/zinc/30/65/73/402306573.db2.gz AVUVUPNYPYHIBM-SWLSCSKDSA-N 2 1 308.495 2.450 20 30 DEEDMP C=C(C)C[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175981695 402846087 /nfs/dbraw/zinc/84/60/87/402846087.db2.gz HAWPONVOWQHDEE-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266749968 402988382 /nfs/dbraw/zinc/98/83/82/402988382.db2.gz NRZQEOOAFIKMAG-AWEZNQCLSA-N 2 1 302.422 2.178 20 30 DEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657990 403103851 /nfs/dbraw/zinc/10/38/51/403103851.db2.gz HSXQNKHSZIPBJS-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657990 403103853 /nfs/dbraw/zinc/10/38/53/403103853.db2.gz HSXQNKHSZIPBJS-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657990 403103856 /nfs/dbraw/zinc/10/38/56/403103856.db2.gz HSXQNKHSZIPBJS-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657990 403103858 /nfs/dbraw/zinc/10/38/58/403103858.db2.gz HSXQNKHSZIPBJS-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccn3ccnc3c2)C[C@@H]1C ZINC000329009470 404199561 /nfs/dbraw/zinc/19/95/61/404199561.db2.gz DDMZXEIBELHIDW-KBPBESRZSA-N 2 1 315.421 2.163 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000357753986 404742816 /nfs/dbraw/zinc/74/28/16/404742816.db2.gz YBHVYEUTVYVRBV-MRXNPFEDSA-N 2 1 324.513 2.447 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000358205739 404756575 /nfs/dbraw/zinc/75/65/75/404756575.db2.gz RPCZSYPGWLSKDJ-UHFFFAOYSA-N 2 1 310.486 2.056 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000580184659 405602738 /nfs/dbraw/zinc/60/27/38/405602738.db2.gz NCCLFEBTAYADJJ-MRXNPFEDSA-N 2 1 324.852 2.320 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767586 406887919 /nfs/dbraw/zinc/88/79/19/406887919.db2.gz MBKMQJFYPDXASD-BHIYHBOVSA-N 2 1 300.446 2.403 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767586 406887921 /nfs/dbraw/zinc/88/79/21/406887921.db2.gz MBKMQJFYPDXASD-BHIYHBOVSA-N 2 1 300.446 2.403 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)N1 ZINC000262628016 225279582 /nfs/dbraw/zinc/27/95/82/225279582.db2.gz DXTWROQXMLOAJS-ZIAGYGMSSA-N 2 1 306.479 2.458 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCCC(C)C)cn1 ZINC000264064768 225299864 /nfs/dbraw/zinc/29/98/64/225299864.db2.gz ARVPLAGBUQEHLI-UHFFFAOYSA-N 2 1 300.410 2.026 20 30 DEEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000269637701 225383899 /nfs/dbraw/zinc/38/38/99/225383899.db2.gz QOYJIWZANAOVFQ-SECBINFHSA-N 2 1 304.316 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898586 782030796 /nfs/dbraw/zinc/03/07/96/782030796.db2.gz LXWOMYSRAWYDNF-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898586 782030802 /nfs/dbraw/zinc/03/08/02/782030802.db2.gz LXWOMYSRAWYDNF-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP COCC#CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603328 425049823 /nfs/dbraw/zinc/04/98/23/425049823.db2.gz GXOOSWBEPTXYAY-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603328 425049825 /nfs/dbraw/zinc/04/98/25/425049825.db2.gz GXOOSWBEPTXYAY-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603328 425049829 /nfs/dbraw/zinc/04/98/29/425049829.db2.gz GXOOSWBEPTXYAY-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603328 425049832 /nfs/dbraw/zinc/04/98/32/425049832.db2.gz GXOOSWBEPTXYAY-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]c(N(C)C)n1)C(C)C ZINC000354093051 425060356 /nfs/dbraw/zinc/06/03/56/425060356.db2.gz VWVKJUIAFXLUOE-OAHLLOKOSA-N 2 1 303.454 2.653 20 30 DEEDMP C=CC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730907 425723921 /nfs/dbraw/zinc/72/39/21/425723921.db2.gz URQGBHUUJWGWHU-LPHOPBHVSA-N 2 1 315.461 2.321 20 30 DEEDMP C[NH+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000330812233 289106712 /nfs/dbraw/zinc/10/67/12/289106712.db2.gz OYKWCRVCQZMIJA-INIZCTEOSA-N 2 1 300.406 2.408 20 30 DEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N[C@H](C)c1ccc(C)o1 ZINC000262769433 526375044 /nfs/dbraw/zinc/37/50/44/526375044.db2.gz IFLZRDVKRRBNES-CJNGLKHVSA-N 2 1 324.494 2.251 20 30 DEEDMP C=CCNC(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)=[NH+]C ZINC000263276668 526386648 /nfs/dbraw/zinc/38/66/48/526386648.db2.gz YPATXSIBHFDHOA-UHFFFAOYSA-N 2 1 301.369 2.171 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@@H](CC)C1 ZINC000262051561 528809468 /nfs/dbraw/zinc/80/94/68/528809468.db2.gz ZOVJUMSBXFZSMR-HOCLYGCPSA-N 2 1 324.538 2.264 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[C@H]1C ZINC000262842322 528817303 /nfs/dbraw/zinc/81/73/03/528817303.db2.gz UTCZSCHEHHVNMU-DOMZBBRYSA-N 2 1 312.421 2.039 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001379380530 1152616936 /nfs/dbraw/zinc/61/69/36/1152616936.db2.gz FDSBHLIHOGDFDO-UKRRQHHQSA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290075 625326272 /nfs/dbraw/zinc/32/62/72/625326272.db2.gz XPXXVBUZPYDOCT-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573170 625329765 /nfs/dbraw/zinc/32/97/65/625329765.db2.gz ULYYKKIUZHEKCP-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310300 625403230 /nfs/dbraw/zinc/40/32/30/625403230.db2.gz OYXZLGWWMPOUMB-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486833 625478417 /nfs/dbraw/zinc/47/84/17/625478417.db2.gz XOUMGKLIJKURNF-CVEARBPZSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001026572037 625531562 /nfs/dbraw/zinc/53/15/62/625531562.db2.gz ZJZZKRWNLTXYEH-OFLPRAFFSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144882 622588566 /nfs/dbraw/zinc/58/85/66/622588566.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144882 622588572 /nfs/dbraw/zinc/58/85/72/622588572.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144882 622588576 /nfs/dbraw/zinc/58/85/76/622588576.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144882 622588580 /nfs/dbraw/zinc/58/85/80/622588580.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144882 622588582 /nfs/dbraw/zinc/58/85/82/622588582.db2.gz VVULWUKBIXPGNV-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001020587547 622925921 /nfs/dbraw/zinc/92/59/21/622925921.db2.gz KCCDWSHQSHKNGI-CKEIUWERSA-N 2 1 311.445 2.012 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602196 625625380 /nfs/dbraw/zinc/62/53/80/625625380.db2.gz ZFZVLHVBJGUNJG-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575936 623779607 /nfs/dbraw/zinc/77/96/07/623779607.db2.gz PFRCHBKHHFQJIA-JKSUJKDBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603697 623818608 /nfs/dbraw/zinc/81/86/08/623818608.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603697 623818620 /nfs/dbraw/zinc/81/86/20/623818620.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603697 623818628 /nfs/dbraw/zinc/81/86/28/623818628.db2.gz QXIGDQQWPQGINW-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636537 623872481 /nfs/dbraw/zinc/87/24/81/623872481.db2.gz QSMCMGDOHJUFLA-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636537 623872492 /nfs/dbraw/zinc/87/24/92/623872492.db2.gz QSMCMGDOHJUFLA-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971712297 624517761 /nfs/dbraw/zinc/51/77/61/624517761.db2.gz IPHLUKMJRHCXTN-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971712297 624517764 /nfs/dbraw/zinc/51/77/64/624517764.db2.gz IPHLUKMJRHCXTN-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971712297 624517768 /nfs/dbraw/zinc/51/77/68/624517768.db2.gz IPHLUKMJRHCXTN-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971712297 624517772 /nfs/dbraw/zinc/51/77/72/624517772.db2.gz IPHLUKMJRHCXTN-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978793944 634419795 /nfs/dbraw/zinc/41/97/95/634419795.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793944 634419798 /nfs/dbraw/zinc/41/97/98/634419798.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793944 634419799 /nfs/dbraw/zinc/41/97/99/634419799.db2.gz DBLPGDSTRWLMSM-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446818 625271490 /nfs/dbraw/zinc/27/14/90/625271490.db2.gz YQUFRWFQNUAGOD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446818 625271493 /nfs/dbraw/zinc/27/14/93/625271493.db2.gz YQUFRWFQNUAGOD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446818 625271496 /nfs/dbraw/zinc/27/14/96/625271496.db2.gz YQUFRWFQNUAGOD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479228 625804498 /nfs/dbraw/zinc/80/44/98/625804498.db2.gz CPQCXLKZMQZMAQ-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479228 625804504 /nfs/dbraw/zinc/80/45/04/625804504.db2.gz CPQCXLKZMQZMAQ-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999162814 634502744 /nfs/dbraw/zinc/50/27/44/634502744.db2.gz MIWUPYXJDGHPSN-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999292980 634552829 /nfs/dbraw/zinc/55/28/29/634552829.db2.gz IYKVEROGWLMNIA-HESLUPGFSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103341 634745763 /nfs/dbraw/zinc/74/57/63/634745763.db2.gz YJNFCXPGNGBPPX-MRXNPFEDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827843 633124162 /nfs/dbraw/zinc/12/41/62/633124162.db2.gz WXLATFTVYHBWRZ-HUUCEWRRSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601032 633167933 /nfs/dbraw/zinc/16/79/33/633167933.db2.gz QXOZPJUOABHZPM-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601032 633167936 /nfs/dbraw/zinc/16/79/36/633167936.db2.gz QXOZPJUOABHZPM-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601032 633167940 /nfs/dbraw/zinc/16/79/40/633167940.db2.gz QXOZPJUOABHZPM-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374283 633249787 /nfs/dbraw/zinc/24/97/87/633249787.db2.gz JHIQPSHIAZGAJN-AWEZNQCLSA-N 2 1 304.438 2.019 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974747866 633279670 /nfs/dbraw/zinc/27/96/70/633279670.db2.gz SBGQZGZHRFAOKY-KRWDZBQOSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000996611370 633308451 /nfs/dbraw/zinc/30/84/51/633308451.db2.gz KBXDBEMBYXXNGE-AWEZNQCLSA-N 2 1 304.438 2.163 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997120114 633602895 /nfs/dbraw/zinc/60/28/95/633602895.db2.gz MQDVKBLJFXHZKJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027436757 633783960 /nfs/dbraw/zinc/78/39/60/633783960.db2.gz FIIRJNIWDIJUGM-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436757 633783965 /nfs/dbraw/zinc/78/39/65/633783965.db2.gz FIIRJNIWDIJUGM-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436757 633783966 /nfs/dbraw/zinc/78/39/66/633783966.db2.gz FIIRJNIWDIJUGM-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027437656 633784841 /nfs/dbraw/zinc/78/48/41/633784841.db2.gz CYAFWDMSWZABJM-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437656 633784842 /nfs/dbraw/zinc/78/48/42/633784842.db2.gz CYAFWDMSWZABJM-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437656 633784846 /nfs/dbraw/zinc/78/48/46/633784846.db2.gz CYAFWDMSWZABJM-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951772 634073400 /nfs/dbraw/zinc/07/34/00/634073400.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951772 634073404 /nfs/dbraw/zinc/07/34/04/634073404.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951772 634073409 /nfs/dbraw/zinc/07/34/09/634073409.db2.gz ZSOCWYRHGONGPP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098965 634140069 /nfs/dbraw/zinc/14/00/69/634140069.db2.gz RHPCJSXBFNWHEP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324429 635440336 /nfs/dbraw/zinc/44/03/36/635440336.db2.gz LNWSNDTXYBJVTG-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324429 635440339 /nfs/dbraw/zinc/44/03/39/635440339.db2.gz LNWSNDTXYBJVTG-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324429 635440341 /nfs/dbraw/zinc/44/03/41/635440341.db2.gz LNWSNDTXYBJVTG-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981509956 635509425 /nfs/dbraw/zinc/50/94/25/635509425.db2.gz ILYBAYGWFDBRTK-UHFFFAOYSA-N 2 1 312.417 2.367 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160218 635629607 /nfs/dbraw/zinc/62/96/07/635629607.db2.gz VGGSDKCPQNGWRY-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982112801 635873987 /nfs/dbraw/zinc/87/39/87/635873987.db2.gz FCWXRMLEMRGTNS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982112801 635873991 /nfs/dbraw/zinc/87/39/91/635873991.db2.gz FCWXRMLEMRGTNS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982112801 635873994 /nfs/dbraw/zinc/87/39/94/635873994.db2.gz FCWXRMLEMRGTNS-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC000982118066 635876684 /nfs/dbraw/zinc/87/66/84/635876684.db2.gz GFSZKVGEJIRTHY-UHFFFAOYSA-N 2 1 316.449 2.188 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000982118066 635876686 /nfs/dbraw/zinc/87/66/86/635876686.db2.gz GFSZKVGEJIRTHY-UHFFFAOYSA-N 2 1 316.449 2.188 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296401 635954970 /nfs/dbraw/zinc/95/49/70/635954970.db2.gz RYWGRQVJHZLPTE-QRQLOZEOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306830 635960452 /nfs/dbraw/zinc/96/04/52/635960452.db2.gz ZPOUDVYHQBZMIT-NXHRZFHOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335464 636135875 /nfs/dbraw/zinc/13/58/75/636135875.db2.gz VVNJTMMOMNINGG-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004210742 636229026 /nfs/dbraw/zinc/22/90/26/636229026.db2.gz ZZGDOVLVBNFNQO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557170 636264471 /nfs/dbraw/zinc/26/44/71/636264471.db2.gz MYWVGSZFGRMCRH-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557170 636264474 /nfs/dbraw/zinc/26/44/74/636264474.db2.gz MYWVGSZFGRMCRH-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557170 636264484 /nfs/dbraw/zinc/26/44/84/636264484.db2.gz MYWVGSZFGRMCRH-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004375749 636403159 /nfs/dbraw/zinc/40/31/59/636403159.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004375749 636403167 /nfs/dbraw/zinc/40/31/67/636403167.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004375749 636403171 /nfs/dbraw/zinc/40/31/71/636403171.db2.gz SKGWIZZQONCFIF-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001005999419 637064260 /nfs/dbraw/zinc/06/42/60/637064260.db2.gz XPQVGDMYSYOMMV-DOTOQJQBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985426189 639393110 /nfs/dbraw/zinc/39/31/10/639393110.db2.gz MQWRFEDXKYPYOI-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985426189 639393116 /nfs/dbraw/zinc/39/31/16/639393116.db2.gz MQWRFEDXKYPYOI-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985426189 639393120 /nfs/dbraw/zinc/39/31/20/639393120.db2.gz MQWRFEDXKYPYOI-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989507594 641130114 /nfs/dbraw/zinc/13/01/14/641130114.db2.gz SEYPRTMBXAKSAY-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433521 641207592 /nfs/dbraw/zinc/20/75/92/641207592.db2.gz KQTYDZXCYXEXEG-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433521 641207595 /nfs/dbraw/zinc/20/75/95/641207595.db2.gz KQTYDZXCYXEXEG-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433521 641207598 /nfs/dbraw/zinc/20/75/98/641207598.db2.gz KQTYDZXCYXEXEG-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000907952920 644699270 /nfs/dbraw/zinc/69/92/70/644699270.db2.gz GTCJLLGEJHIAKX-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP COCC[N@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CC(C)C ZINC000912509176 646091078 /nfs/dbraw/zinc/09/10/78/646091078.db2.gz VUPYITJNGAMWDV-OAHLLOKOSA-N 2 1 312.502 2.087 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991621236 646548431 /nfs/dbraw/zinc/54/84/31/646548431.db2.gz HJCFKMLALZHUHP-MJGOQNOKSA-N 2 1 322.412 2.084 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857029 646669996 /nfs/dbraw/zinc/66/99/96/646669996.db2.gz CGSPJKCFLBCRIT-MJGOQNOKSA-N 2 1 322.412 2.084 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000170907942 646674932 /nfs/dbraw/zinc/67/49/32/646674932.db2.gz BADOWBYHKCMMFH-QGZVFWFLSA-N 2 1 318.465 2.387 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992141098 646870881 /nfs/dbraw/zinc/87/08/81/646870881.db2.gz GNSVATOETWUAEL-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992194291 646896445 /nfs/dbraw/zinc/89/64/45/646896445.db2.gz XMTAAQMQKMZYOB-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992194291 646896449 /nfs/dbraw/zinc/89/64/49/646896449.db2.gz XMTAAQMQKMZYOB-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992194291 646896452 /nfs/dbraw/zinc/89/64/52/646896452.db2.gz XMTAAQMQKMZYOB-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC ZINC000817918289 647380948 /nfs/dbraw/zinc/38/09/48/647380948.db2.gz KNZWFHKSVPTNCM-QLFBSQMISA-N 2 1 303.406 2.346 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993501617 647680893 /nfs/dbraw/zinc/68/08/93/647680893.db2.gz LVTWBRMXALJMLR-YJBOKZPZSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994078210 647785528 /nfs/dbraw/zinc/78/55/28/647785528.db2.gz HBBVKONIJSGSQZ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994162362 647797220 /nfs/dbraw/zinc/79/72/20/647797220.db2.gz ACJRUILHMYKPTF-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801217 648944916 /nfs/dbraw/zinc/94/49/16/648944916.db2.gz PWSORNXQCJGVPR-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801217 648944919 /nfs/dbraw/zinc/94/49/19/648944919.db2.gz PWSORNXQCJGVPR-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164854 649011592 /nfs/dbraw/zinc/01/15/92/649011592.db2.gz XZGZOHXKPDOKLH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164854 649011595 /nfs/dbraw/zinc/01/15/95/649011595.db2.gz XZGZOHXKPDOKLH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164854 649011597 /nfs/dbraw/zinc/01/15/97/649011597.db2.gz XZGZOHXKPDOKLH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372330 649096972 /nfs/dbraw/zinc/09/69/72/649096972.db2.gz CEGDYHAYAFZRPT-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821180 649289475 /nfs/dbraw/zinc/28/94/75/649289475.db2.gz CVXFVFWIOKPLHR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943288940 649358899 /nfs/dbraw/zinc/35/88/99/649358899.db2.gz NYRXTCNXVSSUDD-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000852858620 652471026 /nfs/dbraw/zinc/47/10/26/652471026.db2.gz FRIMYMQUHDKPJR-QGZVFWFLSA-N 2 1 311.389 2.213 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750108 685258724 /nfs/dbraw/zinc/25/87/24/685258724.db2.gz IDWMBZIENFTLPO-WBVHZDCISA-N 2 1 302.466 2.487 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000304764026 685260861 /nfs/dbraw/zinc/26/08/61/685260861.db2.gz XLARDARTSLFJBY-HOTGVXAUSA-N 2 1 318.465 2.151 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134992 693859487 /nfs/dbraw/zinc/85/94/87/693859487.db2.gz RXDHFRSPTCBTHB-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134992 693859488 /nfs/dbraw/zinc/85/94/88/693859488.db2.gz RXDHFRSPTCBTHB-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134992 693859489 /nfs/dbraw/zinc/85/94/89/693859489.db2.gz RXDHFRSPTCBTHB-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C[NH+]=C(NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccco1 ZINC000303397142 685232132 /nfs/dbraw/zinc/23/21/32/685232132.db2.gz IMIZJTAJQIBBJJ-GASCZTMLSA-N 2 1 306.454 2.313 20 30 DEEDMP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)Cc1ccccc1 ZINC000303783921 685234449 /nfs/dbraw/zinc/23/44/49/685234449.db2.gz ORGLYZABNWLFKL-IBGZPJMESA-N 2 1 324.472 2.306 20 30 DEEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303864927 685236896 /nfs/dbraw/zinc/23/68/96/685236896.db2.gz BISMQULUEUKINO-KRWDZBQOSA-N 2 1 302.466 2.254 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930911 687470216 /nfs/dbraw/zinc/47/02/16/687470216.db2.gz WCECKUSTNRZRMP-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016542544 687648517 /nfs/dbraw/zinc/64/85/17/687648517.db2.gz IVYBNTYUELXYJJ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611595 687665080 /nfs/dbraw/zinc/66/50/80/687665080.db2.gz DTLCRPCOSLKMDR-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611590 687665107 /nfs/dbraw/zinc/66/51/07/687665107.db2.gz DTLCRPCOSLKMDR-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662535 687677494 /nfs/dbraw/zinc/67/74/94/687677494.db2.gz KLONDYLSLBMASZ-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156716 688475655 /nfs/dbraw/zinc/47/56/55/688475655.db2.gz XPUQLZBLRCXDLP-JYJNAYRXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684475 689224654 /nfs/dbraw/zinc/22/46/54/689224654.db2.gz RALWSAAZTGWORT-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294637 689451853 /nfs/dbraw/zinc/45/18/53/689451853.db2.gz CFBGFMPPIWIJQE-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475763 689514471 /nfs/dbraw/zinc/51/44/71/689514471.db2.gz RGOLXRRFOIEDFX-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033575369 689548765 /nfs/dbraw/zinc/54/87/65/689548765.db2.gz RBMIFJRGPUTABK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033575369 689548766 /nfs/dbraw/zinc/54/87/66/689548766.db2.gz RBMIFJRGPUTABK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033575369 689548767 /nfs/dbraw/zinc/54/87/67/689548767.db2.gz RBMIFJRGPUTABK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855073 689639645 /nfs/dbraw/zinc/63/96/45/689639645.db2.gz GNMJLZKCFNNXRU-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855073 689639648 /nfs/dbraw/zinc/63/96/48/689639648.db2.gz GNMJLZKCFNNXRU-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855073 689639651 /nfs/dbraw/zinc/63/96/51/689639651.db2.gz GNMJLZKCFNNXRU-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932919 689666264 /nfs/dbraw/zinc/66/62/64/689666264.db2.gz UMJXRGAPKGFYCY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932919 689666268 /nfs/dbraw/zinc/66/62/68/689666268.db2.gz UMJXRGAPKGFYCY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932919 689666271 /nfs/dbraw/zinc/66/62/71/689666271.db2.gz UMJXRGAPKGFYCY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369790 689826401 /nfs/dbraw/zinc/82/64/01/689826401.db2.gz VFDWHKWNHMTMTJ-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369790 689826406 /nfs/dbraw/zinc/82/64/06/689826406.db2.gz VFDWHKWNHMTMTJ-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369790 689826410 /nfs/dbraw/zinc/82/64/10/689826410.db2.gz VFDWHKWNHMTMTJ-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437525 689850995 /nfs/dbraw/zinc/85/09/95/689850995.db2.gz GXAQCTAUYKXXOG-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034440035 689851025 /nfs/dbraw/zinc/85/10/25/689851025.db2.gz YMKJUUDKZRXKIW-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440035 689851028 /nfs/dbraw/zinc/85/10/28/689851028.db2.gz YMKJUUDKZRXKIW-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440035 689851030 /nfs/dbraw/zinc/85/10/30/689851030.db2.gz YMKJUUDKZRXKIW-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034778346 689945982 /nfs/dbraw/zinc/94/59/82/689945982.db2.gz HYXJNIZWWJQVSU-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876875743 689960852 /nfs/dbraw/zinc/96/08/52/689960852.db2.gz YYHWHJIBADKTSB-JKSUJKDBSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197416 690057147 /nfs/dbraw/zinc/05/71/47/690057147.db2.gz MTKPGDOHDKCULG-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035238800 690069952 /nfs/dbraw/zinc/06/99/52/690069952.db2.gz GWDYBQDBOPZIMR-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759754 690461977 /nfs/dbraw/zinc/46/19/77/690461977.db2.gz QBUUGULORGKCKH-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001037874695 690630162 /nfs/dbraw/zinc/63/01/62/690630162.db2.gz HSCQMXQUYDWUGI-GJZGRUSLSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038343270 690788714 /nfs/dbraw/zinc/78/87/14/690788714.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038343270 690788715 /nfs/dbraw/zinc/78/87/15/690788715.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038343270 690788717 /nfs/dbraw/zinc/78/87/17/690788717.db2.gz YOIYEDDKBLVAGI-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C[NH+](C)CC1(O)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000931480315 694408382 /nfs/dbraw/zinc/40/83/82/694408382.db2.gz UJDSZIGBHDCWKY-UHFFFAOYSA-N 2 1 306.837 2.080 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134006 691029796 /nfs/dbraw/zinc/02/97/96/691029796.db2.gz NQYUESBPMABGIB-ROUUACIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039283131 691074412 /nfs/dbraw/zinc/07/44/12/691074412.db2.gz HMVKBPZKXRRNFV-OOHRUWKFSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039307781 691078359 /nfs/dbraw/zinc/07/83/59/691078359.db2.gz ZBMSIMANCADYDK-OOKSDGMUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040211736 691214374 /nfs/dbraw/zinc/21/43/74/691214374.db2.gz YXPNETCOAWNONE-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211736 691214378 /nfs/dbraw/zinc/21/43/78/691214378.db2.gz YXPNETCOAWNONE-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211736 691214382 /nfs/dbraw/zinc/21/43/82/691214382.db2.gz YXPNETCOAWNONE-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040241440 691219337 /nfs/dbraw/zinc/21/93/37/691219337.db2.gz OVKSYCIXRBJFEH-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733207 691283567 /nfs/dbraw/zinc/28/35/67/691283567.db2.gz QKWUYTZMBCUORI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342122 691362947 /nfs/dbraw/zinc/36/29/47/691362947.db2.gz COWCVYCYCHITOE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342122 691362951 /nfs/dbraw/zinc/36/29/51/691362951.db2.gz COWCVYCYCHITOE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342122 691362956 /nfs/dbraw/zinc/36/29/56/691362956.db2.gz COWCVYCYCHITOE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353852 691366027 /nfs/dbraw/zinc/36/60/27/691366027.db2.gz KOXFZZHMRLAESY-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433590 691375470 /nfs/dbraw/zinc/37/54/70/691375470.db2.gz ZVVOXVOJKWZUPW-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433590 691375471 /nfs/dbraw/zinc/37/54/71/691375471.db2.gz ZVVOXVOJKWZUPW-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433590 691375474 /nfs/dbraw/zinc/37/54/74/691375474.db2.gz ZVVOXVOJKWZUPW-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001041807981 691436014 /nfs/dbraw/zinc/43/60/14/691436014.db2.gz UWGXPNZARUQCOC-SFHVURJKSA-N 2 1 316.449 2.151 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725265 691646400 /nfs/dbraw/zinc/64/64/00/691646400.db2.gz NCTZGHZJFQTEKC-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725265 691646404 /nfs/dbraw/zinc/64/64/04/691646404.db2.gz NCTZGHZJFQTEKC-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817258 692703101 /nfs/dbraw/zinc/70/31/01/692703101.db2.gz LSRBTNFBZKYYJU-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817258 692703102 /nfs/dbraw/zinc/70/31/02/692703102.db2.gz LSRBTNFBZKYYJU-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817258 692703104 /nfs/dbraw/zinc/70/31/04/692703104.db2.gz LSRBTNFBZKYYJU-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001530 692740916 /nfs/dbraw/zinc/74/09/16/692740916.db2.gz XVPFCEWESNJQMC-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001530 692740920 /nfs/dbraw/zinc/74/09/20/692740920.db2.gz XVPFCEWESNJQMC-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001530 692740923 /nfs/dbraw/zinc/74/09/23/692740923.db2.gz XVPFCEWESNJQMC-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509407 692904677 /nfs/dbraw/zinc/90/46/77/692904677.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509407 692904680 /nfs/dbraw/zinc/90/46/80/692904680.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509407 692904683 /nfs/dbraw/zinc/90/46/83/692904683.db2.gz UCBQDZZLQGKOIY-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049553356 692919683 /nfs/dbraw/zinc/91/96/83/692919683.db2.gz UFPZATAGAPWOJI-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049553356 692919685 /nfs/dbraw/zinc/91/96/85/692919685.db2.gz UFPZATAGAPWOJI-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049553356 692919686 /nfs/dbraw/zinc/91/96/86/692919686.db2.gz UFPZATAGAPWOJI-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572760 692926431 /nfs/dbraw/zinc/92/64/31/692926431.db2.gz OFDZTRLFHHZDDU-MSOLQXFVSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637944 692948043 /nfs/dbraw/zinc/94/80/43/692948043.db2.gz JCHHKORSLYXAHX-JKSUJKDBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806910 693006833 /nfs/dbraw/zinc/00/68/33/693006833.db2.gz PPEDWVDDNCZUSN-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114100 /nfs/dbraw/zinc/11/41/00/693114100.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114103 /nfs/dbraw/zinc/11/41/03/693114103.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050122323 693114106 /nfs/dbraw/zinc/11/41/06/693114106.db2.gz QVDXVDBFCSUZCN-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376875 693518958 /nfs/dbraw/zinc/51/89/58/693518958.db2.gz KFNBPZMKJCRKGI-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562441 693568363 /nfs/dbraw/zinc/56/83/63/693568363.db2.gz RLMBVFSGIQYSMX-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837178 693628894 /nfs/dbraw/zinc/62/88/94/693628894.db2.gz NNFBMXPEAVKJRP-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265516 /nfs/dbraw/zinc/26/55/16/1153265516.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265518 /nfs/dbraw/zinc/26/55/18/1153265518.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200607 1153265523 /nfs/dbraw/zinc/26/55/23/1153265523.db2.gz XMDOESCLKZTDMR-JCGIZDLHSA-N 2 1 301.434 2.254 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001391239245 1156276275 /nfs/dbraw/zinc/27/62/75/1156276275.db2.gz AQAAKKKKSNBUFC-HOTGVXAUSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001391239245 1156276305 /nfs/dbraw/zinc/27/63/05/1156276305.db2.gz AQAAKKKKSNBUFC-HOTGVXAUSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001393787034 1157977948 /nfs/dbraw/zinc/97/79/48/1157977948.db2.gz LODTXAQDLLZRNO-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001393787034 1157977960 /nfs/dbraw/zinc/97/79/60/1157977960.db2.gz LODTXAQDLLZRNO-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001393787034 1157977976 /nfs/dbraw/zinc/97/79/76/1157977976.db2.gz LODTXAQDLLZRNO-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001393787034 1157977996 /nfs/dbraw/zinc/97/79/96/1157977996.db2.gz LODTXAQDLLZRNO-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001399389211 1161373903 /nfs/dbraw/zinc/37/39/03/1161373903.db2.gz MNDXXEMVUJQPHQ-CABCVRRESA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401279412 1161914040 /nfs/dbraw/zinc/91/40/40/1161914040.db2.gz DLEUVSZQJOZSAH-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001406706720 1164804647 /nfs/dbraw/zinc/80/46/47/1164804647.db2.gz BIAQTZUKACVDIW-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001422121092 1172319167 /nfs/dbraw/zinc/31/91/67/1172319167.db2.gz MGKLWNCXGLTRPR-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001422121092 1172319176 /nfs/dbraw/zinc/31/91/76/1172319176.db2.gz MGKLWNCXGLTRPR-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001424475995 1173802764 /nfs/dbraw/zinc/80/27/64/1173802764.db2.gz PTCZNFOLXVPJDL-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107168 782194370 /nfs/dbraw/zinc/19/43/70/782194370.db2.gz WKHOVNAWANTUSX-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106358310 782669832 /nfs/dbraw/zinc/66/98/32/782669832.db2.gz ZUXVECICGAYFLC-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336817 782785536 /nfs/dbraw/zinc/78/55/36/782785536.db2.gz YIXSYQSPQNQEFN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336817 782785543 /nfs/dbraw/zinc/78/55/43/782785543.db2.gz YIXSYQSPQNQEFN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336817 782785551 /nfs/dbraw/zinc/78/55/51/782785551.db2.gz YIXSYQSPQNQEFN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581927 782796155 /nfs/dbraw/zinc/79/61/55/782796155.db2.gz PVUUTSGAYNCSKO-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715193 782880435 /nfs/dbraw/zinc/88/04/35/782880435.db2.gz BEAPSGCKNBVDMZ-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419422 783085530 /nfs/dbraw/zinc/08/55/30/783085530.db2.gz GDBWDJTXCLMNJS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419422 783085541 /nfs/dbraw/zinc/08/55/41/783085541.db2.gz GDBWDJTXCLMNJS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419422 783085550 /nfs/dbraw/zinc/08/55/50/783085550.db2.gz GDBWDJTXCLMNJS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC000947435683 783135222 /nfs/dbraw/zinc/13/52/22/783135222.db2.gz BGQCGZCJMKXLNE-CVEARBPZSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167438526 777046671 /nfs/dbraw/zinc/04/66/71/777046671.db2.gz XEXYIITYRVODLX-HOTGVXAUSA-N 2 1 305.466 2.065 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317390 777780129 /nfs/dbraw/zinc/78/01/29/777780129.db2.gz HKHSXODSMATMTK-KBAYOESNSA-N 2 1 319.493 2.264 20 30 DEEDMP N#Cc1c(-c2ccccc2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879285 778743699 /nfs/dbraw/zinc/74/36/99/778743699.db2.gz KSDHMSOYIZAOMX-UHFFFAOYSA-N 2 1 308.389 2.295 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001087659761 779401066 /nfs/dbraw/zinc/40/10/66/779401066.db2.gz ZOCMCBXRPZOGAQ-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001087659761 779401070 /nfs/dbraw/zinc/40/10/70/779401070.db2.gz ZOCMCBXRPZOGAQ-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087712145 779418806 /nfs/dbraw/zinc/41/88/06/779418806.db2.gz QXOJVQCDABPVIX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749369 779436004 /nfs/dbraw/zinc/43/60/04/779436004.db2.gz HTBCUGOMTISIMZ-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749369 779436008 /nfs/dbraw/zinc/43/60/08/779436008.db2.gz HTBCUGOMTISIMZ-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749369 779436010 /nfs/dbraw/zinc/43/60/10/779436010.db2.gz HTBCUGOMTISIMZ-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796922 779454768 /nfs/dbraw/zinc/45/47/68/779454768.db2.gz QUTYCWQWJDVOJV-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796922 779454772 /nfs/dbraw/zinc/45/47/72/779454772.db2.gz QUTYCWQWJDVOJV-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796922 779454774 /nfs/dbraw/zinc/45/47/74/779454774.db2.gz QUTYCWQWJDVOJV-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579705 780536513 /nfs/dbraw/zinc/53/65/13/780536513.db2.gz XWKFEGDQQMDEPQ-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579705 780536519 /nfs/dbraw/zinc/53/65/19/780536519.db2.gz XWKFEGDQQMDEPQ-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001088579705 780536524 /nfs/dbraw/zinc/53/65/24/780536524.db2.gz XWKFEGDQQMDEPQ-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152380 /nfs/dbraw/zinc/15/23/80/781152380.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152386 /nfs/dbraw/zinc/15/23/86/781152386.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161973 781152390 /nfs/dbraw/zinc/15/23/90/781152390.db2.gz XMBYMUMUZQAQSO-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102532 783563110 /nfs/dbraw/zinc/56/31/10/783563110.db2.gz JBJFREMEILSXFN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904970 783810823 /nfs/dbraw/zinc/81/08/23/783810823.db2.gz WELFRONIBHKHHV-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205352 783906179 /nfs/dbraw/zinc/90/61/79/783906179.db2.gz KTKZGLCYBRUNMB-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686140 783964181 /nfs/dbraw/zinc/96/41/81/783964181.db2.gz KLLKLONGEKOWQT-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688588 783967025 /nfs/dbraw/zinc/96/70/25/783967025.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688588 783967031 /nfs/dbraw/zinc/96/70/31/783967031.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688588 783967036 /nfs/dbraw/zinc/96/70/36/783967036.db2.gz NQCXXYIYUUVTER-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778820 784067552 /nfs/dbraw/zinc/06/75/52/784067552.db2.gz IEXYDOOGEDZXGL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778820 784067559 /nfs/dbraw/zinc/06/75/59/784067559.db2.gz IEXYDOOGEDZXGL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778820 784067566 /nfs/dbraw/zinc/06/75/66/784067566.db2.gz IEXYDOOGEDZXGL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820288 784109124 /nfs/dbraw/zinc/10/91/24/784109124.db2.gz VTMJZCCVLNXNIT-GOSISDBHSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820288 784109128 /nfs/dbraw/zinc/10/91/28/784109128.db2.gz VTMJZCCVLNXNIT-GOSISDBHSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917773 784212765 /nfs/dbraw/zinc/21/27/65/784212765.db2.gz KGMMVHLGMPEYCB-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058882 784215220 /nfs/dbraw/zinc/21/52/20/784215220.db2.gz NJIYWJJIIAXRRY-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058882 784215228 /nfs/dbraw/zinc/21/52/28/784215228.db2.gz NJIYWJJIIAXRRY-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085987698 784284341 /nfs/dbraw/zinc/28/43/41/784284341.db2.gz JJQDRIWDBPMIKM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085987698 784284350 /nfs/dbraw/zinc/28/43/50/784284350.db2.gz JJQDRIWDBPMIKM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085987698 784284355 /nfs/dbraw/zinc/28/43/55/784284355.db2.gz JJQDRIWDBPMIKM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199384 791017019 /nfs/dbraw/zinc/01/70/19/791017019.db2.gz MNKROHHBLPGNLN-HTWSVDAQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417833 784373203 /nfs/dbraw/zinc/37/32/03/784373203.db2.gz GVBMONNIXMCNIL-QAPCUYQASA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461043 784398990 /nfs/dbraw/zinc/39/89/90/784398990.db2.gz ZIQCFONVNWJTER-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497975 784427129 /nfs/dbraw/zinc/42/71/29/784427129.db2.gz UNFVRQRDLFPLNK-CRAIPNDOSA-N 2 1 324.428 2.499 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925700 784654553 /nfs/dbraw/zinc/65/45/53/784654553.db2.gz KVRWSNRPGNITQW-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001169155247 785071523 /nfs/dbraw/zinc/07/15/23/785071523.db2.gz LPNQCPMKXCSAIA-IZZQQSIFSA-N 2 1 310.445 2.305 20 30 DEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001169155247 785071529 /nfs/dbraw/zinc/07/15/29/785071529.db2.gz LPNQCPMKXCSAIA-IZZQQSIFSA-N 2 1 310.445 2.305 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256001 785118954 /nfs/dbraw/zinc/11/89/54/785118954.db2.gz XHDGGCBEEDHOCR-QZTJIDSGSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256001 785118958 /nfs/dbraw/zinc/11/89/58/785118958.db2.gz XHDGGCBEEDHOCR-QZTJIDSGSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704263 785495419 /nfs/dbraw/zinc/49/54/19/785495419.db2.gz GKMOEAGAGGOWPM-BQFCYCMXSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778536 785534743 /nfs/dbraw/zinc/53/47/43/785534743.db2.gz VFMWIIQZPBAURB-ULQDDVLXSA-N 2 1 316.449 2.127 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307288 785797635 /nfs/dbraw/zinc/79/76/35/785797635.db2.gz DGAWZAMCEFVWOV-WCVJEAGWSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307288 785797639 /nfs/dbraw/zinc/79/76/39/785797639.db2.gz DGAWZAMCEFVWOV-WCVJEAGWSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109306114 785799629 /nfs/dbraw/zinc/79/96/29/785799629.db2.gz SZVLCRKWAUCDEZ-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306114 785799633 /nfs/dbraw/zinc/79/96/33/785799633.db2.gz SZVLCRKWAUCDEZ-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306114 785799638 /nfs/dbraw/zinc/79/96/38/785799638.db2.gz SZVLCRKWAUCDEZ-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014429561 786580907 /nfs/dbraw/zinc/58/09/07/786580907.db2.gz YYJUCIHBBDPAAS-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022341 787454718 /nfs/dbraw/zinc/45/47/18/787454718.db2.gz LZDSWDBEVILQHO-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022341 787454723 /nfs/dbraw/zinc/45/47/23/787454723.db2.gz LZDSWDBEVILQHO-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP [NH3+]C1CCN(c2cccc(NC=CC(=O)C(F)(F)F)[nH+]2)CC1 ZINC001158558262 787972479 /nfs/dbraw/zinc/97/24/79/787972479.db2.gz XUBFZPQXLNISFR-QPJJXVBHSA-N 2 1 314.311 2.066 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132889239 788220129 /nfs/dbraw/zinc/22/01/29/788220129.db2.gz YPAUFWRQDFNDRQ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976514 788246136 /nfs/dbraw/zinc/24/61/36/788246136.db2.gz FIUJCDQQBXEBCC-WFASDCNBSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001097847674 788248238 /nfs/dbraw/zinc/24/82/38/788248238.db2.gz GOIHRPKPAVQGBS-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001097847674 788248243 /nfs/dbraw/zinc/24/82/43/788248243.db2.gz GOIHRPKPAVQGBS-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001097847674 788248252 /nfs/dbraw/zinc/24/82/52/788248252.db2.gz GOIHRPKPAVQGBS-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750738 788918307 /nfs/dbraw/zinc/91/83/07/788918307.db2.gz MOVNILMHMPVJAJ-IRXDYDNUSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772726 789072966 /nfs/dbraw/zinc/07/29/66/789072966.db2.gz HFHUNYSTUFFEEH-OLZOCXBDSA-N 2 1 303.878 2.342 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134809004 789097665 /nfs/dbraw/zinc/09/76/65/789097665.db2.gz NPXIPSSSHWAJDO-KBPBESRZSA-N 2 1 322.453 2.189 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626430 789421875 /nfs/dbraw/zinc/42/18/75/789421875.db2.gz SZWLLOFRHDTFHH-HOTGVXAUSA-N 2 1 318.465 2.293 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691196 789451354 /nfs/dbraw/zinc/45/13/54/789451354.db2.gz PUZFIBALZDEGFP-IRXDYDNUSA-N 2 1 309.498 2.395 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600043 789803932 /nfs/dbraw/zinc/80/39/32/789803932.db2.gz FERLHGRTXHXIID-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651455 789842104 /nfs/dbraw/zinc/84/21/04/789842104.db2.gz IWBPXWJZUPLNQF-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999239 790005816 /nfs/dbraw/zinc/00/58/16/790005816.db2.gz NUEMDLSLLMKGIE-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999239 790005819 /nfs/dbraw/zinc/00/58/19/790005819.db2.gz NUEMDLSLLMKGIE-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096007 790050417 /nfs/dbraw/zinc/05/04/17/790050417.db2.gz RYTLJSOFQCUFKP-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686078 791265533 /nfs/dbraw/zinc/26/55/33/791265533.db2.gz NHIQXGXGFITNNQ-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147743132 791614925 /nfs/dbraw/zinc/61/49/25/791614925.db2.gz ZRUPCDWLOHDHBF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147743132 791614928 /nfs/dbraw/zinc/61/49/28/791614928.db2.gz ZRUPCDWLOHDHBF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147743132 791614931 /nfs/dbraw/zinc/61/49/31/791614931.db2.gz ZRUPCDWLOHDHBF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291798 791731499 /nfs/dbraw/zinc/73/14/99/791731499.db2.gz CKRVGZLGTLPRBE-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111319 792100692 /nfs/dbraw/zinc/10/06/92/792100692.db2.gz YSHPXVGEYAMZFV-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111319 792100694 /nfs/dbraw/zinc/10/06/94/792100694.db2.gz YSHPXVGEYAMZFV-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111319 792100700 /nfs/dbraw/zinc/10/07/00/792100700.db2.gz YSHPXVGEYAMZFV-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092762647 792126249 /nfs/dbraw/zinc/12/62/49/792126249.db2.gz GNSDIFJTPXPMSX-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092762647 792126253 /nfs/dbraw/zinc/12/62/53/792126253.db2.gz GNSDIFJTPXPMSX-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092762647 792126259 /nfs/dbraw/zinc/12/62/59/792126259.db2.gz GNSDIFJTPXPMSX-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782446 792135422 /nfs/dbraw/zinc/13/54/22/792135422.db2.gz NIQYYNVKFPDDPZ-GDBMZVCRSA-N 2 1 312.417 2.208 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094379934 792898823 /nfs/dbraw/zinc/89/88/23/792898823.db2.gz HCJKQYSKPUZQKP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379934 792898829 /nfs/dbraw/zinc/89/88/29/792898829.db2.gz HCJKQYSKPUZQKP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379934 792898841 /nfs/dbraw/zinc/89/88/41/792898841.db2.gz HCJKQYSKPUZQKP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C[C@@H](CCCC#N)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172482756 793428208 /nfs/dbraw/zinc/42/82/08/793428208.db2.gz JXPLZIRBOBOWPQ-AWEZNQCLSA-N 2 1 324.469 2.387 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051693 793488378 /nfs/dbraw/zinc/48/83/78/793488378.db2.gz GQMKCPJWQNSJRQ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051693 793488381 /nfs/dbraw/zinc/48/83/81/793488381.db2.gz GQMKCPJWQNSJRQ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051693 793488386 /nfs/dbraw/zinc/48/83/86/793488386.db2.gz GQMKCPJWQNSJRQ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102103128 793506345 /nfs/dbraw/zinc/50/63/45/793506345.db2.gz DRRUORQHXLZULA-TZMCWYRMSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102103128 793506349 /nfs/dbraw/zinc/50/63/49/793506349.db2.gz DRRUORQHXLZULA-TZMCWYRMSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102103128 793506353 /nfs/dbraw/zinc/50/63/53/793506353.db2.gz DRRUORQHXLZULA-TZMCWYRMSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368131 793587664 /nfs/dbraw/zinc/58/76/64/793587664.db2.gz GJNKGLMBAVXCQX-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174442 793969546 /nfs/dbraw/zinc/96/95/46/793969546.db2.gz NLYDVLFPXNPLLU-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174442 793969549 /nfs/dbraw/zinc/96/95/49/793969549.db2.gz NLYDVLFPXNPLLU-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174442 793969554 /nfs/dbraw/zinc/96/95/54/793969554.db2.gz NLYDVLFPXNPLLU-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263466 794171907 /nfs/dbraw/zinc/17/19/07/794171907.db2.gz PXIXXBQQTHCJRI-ZFWWWQNUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724672 794202707 /nfs/dbraw/zinc/20/27/07/794202707.db2.gz OHEXURSPIBDCFH-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724672 794202712 /nfs/dbraw/zinc/20/27/12/794202712.db2.gz OHEXURSPIBDCFH-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410933 794627478 /nfs/dbraw/zinc/62/74/78/794627478.db2.gz XSZUJOUABGZFPO-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579557 794828701 /nfs/dbraw/zinc/82/87/01/794828701.db2.gz UKAPIZWGWLMGOB-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2F)CC1 ZINC001118125803 795156643 /nfs/dbraw/zinc/15/66/43/795156643.db2.gz ZHZFLVJSMGAZKT-GOEBONIOSA-N 2 1 316.424 2.359 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788174 795176395 /nfs/dbraw/zinc/17/63/95/795176395.db2.gz PPCISGKUKLKWIP-IRXDYDNUSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899489 795393250 /nfs/dbraw/zinc/39/32/50/795393250.db2.gz NBXLUIAFBIQFCX-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130339 795410378 /nfs/dbraw/zinc/41/03/78/795410378.db2.gz WYHYQSSUXUSNBF-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346141 795654036 /nfs/dbraw/zinc/65/40/36/795654036.db2.gz KZFUVBBPLGDEDW-ZHALLVOQSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082110 795796766 /nfs/dbraw/zinc/79/67/66/795796766.db2.gz JRVJYHHAINZESD-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183399251 795864905 /nfs/dbraw/zinc/86/49/05/795864905.db2.gz QJYPBAABXLWSEY-CRAIPNDOSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714337 796108896 /nfs/dbraw/zinc/10/88/96/796108896.db2.gz XMDBFRQUBRIJOI-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171771 796202157 /nfs/dbraw/zinc/20/21/57/796202157.db2.gz XYXPPFSJBOANTN-SJORKVTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170484 796202205 /nfs/dbraw/zinc/20/22/05/796202205.db2.gz PWIMLBFHQFSJDS-CVEARBPZSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)COc1ccccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001138663281 796254303 /nfs/dbraw/zinc/25/43/03/796254303.db2.gz RGXNGXUKMTTXKG-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203036671 796520768 /nfs/dbraw/zinc/52/07/68/796520768.db2.gz PYDYXZXKFTURRI-SJORKVTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203036670 796521061 /nfs/dbraw/zinc/52/10/61/796521061.db2.gz PYDYXZXKFTURRI-IRXDYDNUSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213042 796676560 /nfs/dbraw/zinc/67/65/60/796676560.db2.gz DRSHLKYQIGPRHR-QGZVFWFLSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159614 796776705 /nfs/dbraw/zinc/77/67/05/796776705.db2.gz BRJCTJBGDLUGKC-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159614 796776709 /nfs/dbraw/zinc/77/67/09/796776709.db2.gz BRJCTJBGDLUGKC-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159614 796776712 /nfs/dbraw/zinc/77/67/12/796776712.db2.gz BRJCTJBGDLUGKC-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325146 796980740 /nfs/dbraw/zinc/98/07/40/796980740.db2.gz ULSDVGGBGUZYBL-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153653970 797371714 /nfs/dbraw/zinc/37/17/14/797371714.db2.gz LLMGZWZLGJXYOR-CVEARBPZSA-N 2 1 315.477 2.459 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001154082985 797457748 /nfs/dbraw/zinc/45/77/48/797457748.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 1 318.465 2.226 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001154082985 797457751 /nfs/dbraw/zinc/45/77/51/797457751.db2.gz CRWCMYZMAVLLSJ-HIFRSBDPSA-N 2 1 318.465 2.226 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192907568 797469504 /nfs/dbraw/zinc/46/95/04/797469504.db2.gz YDVUEHUYLZUUIX-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192907568 797469506 /nfs/dbraw/zinc/46/95/06/797469506.db2.gz YDVUEHUYLZUUIX-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192907568 797469508 /nfs/dbraw/zinc/46/95/08/797469508.db2.gz YDVUEHUYLZUUIX-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389335 797557061 /nfs/dbraw/zinc/55/70/61/797557061.db2.gz BCZBEXKYLPHBSV-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389335 797557065 /nfs/dbraw/zinc/55/70/65/797557065.db2.gz BCZBEXKYLPHBSV-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389335 797557068 /nfs/dbraw/zinc/55/70/68/797557068.db2.gz BCZBEXKYLPHBSV-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792342 797708453 /nfs/dbraw/zinc/70/84/53/797708453.db2.gz OSSASHFPWMLTIL-HZPDHXFCSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194421324 797725148 /nfs/dbraw/zinc/72/51/48/797725148.db2.gz ZVQPHWXJPLGRMI-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171126 798016395 /nfs/dbraw/zinc/01/63/95/798016395.db2.gz JHYARPXHOHWKMR-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001196171126 798016401 /nfs/dbraw/zinc/01/64/01/798016401.db2.gz JHYARPXHOHWKMR-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001196171126 798016407 /nfs/dbraw/zinc/01/64/07/798016407.db2.gz JHYARPXHOHWKMR-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641514 798082064 /nfs/dbraw/zinc/08/20/64/798082064.db2.gz GGJJFEUMTNVMNI-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641514 798082069 /nfs/dbraw/zinc/08/20/69/798082069.db2.gz GGJJFEUMTNVMNI-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641514 798082074 /nfs/dbraw/zinc/08/20/74/798082074.db2.gz GGJJFEUMTNVMNI-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641514 798082075 /nfs/dbraw/zinc/08/20/75/798082075.db2.gz GGJJFEUMTNVMNI-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641772 798082379 /nfs/dbraw/zinc/08/23/79/798082379.db2.gz PXSPPDBENAJDQB-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086361 798141182 /nfs/dbraw/zinc/14/11/82/798141182.db2.gz PXBXWACJCWLNMI-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203178039 798470435 /nfs/dbraw/zinc/47/04/35/798470435.db2.gz NDFURHQOKIEDIP-HOTGVXAUSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866120 798480855 /nfs/dbraw/zinc/48/08/55/798480855.db2.gz KJURZHGFCZTZGN-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866120 798480858 /nfs/dbraw/zinc/48/08/58/798480858.db2.gz KJURZHGFCZTZGN-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866120 798480861 /nfs/dbraw/zinc/48/08/61/798480861.db2.gz KJURZHGFCZTZGN-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866120 798480863 /nfs/dbraw/zinc/48/08/63/798480863.db2.gz KJURZHGFCZTZGN-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119955 798650390 /nfs/dbraw/zinc/65/03/90/798650390.db2.gz HYPCVLRRKAKLDA-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119955 798650393 /nfs/dbraw/zinc/65/03/93/798650393.db2.gz HYPCVLRRKAKLDA-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119955 798650398 /nfs/dbraw/zinc/65/03/98/798650398.db2.gz HYPCVLRRKAKLDA-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617275 798713109 /nfs/dbraw/zinc/71/31/09/798713109.db2.gz LDVHGKNUKZGWSU-UHFFFAOYSA-N 2 1 322.412 2.110 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161027901 798782887 /nfs/dbraw/zinc/78/28/87/798782887.db2.gz AHRCDXGFTRLCQT-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161102198 798795470 /nfs/dbraw/zinc/79/54/70/798795470.db2.gz XGTLCDUUOZLURS-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161750040 798928654 /nfs/dbraw/zinc/92/86/54/798928654.db2.gz UPUDWMJSVLSCKS-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750040 798928659 /nfs/dbraw/zinc/92/86/59/798928659.db2.gz UPUDWMJSVLSCKS-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750040 798928664 /nfs/dbraw/zinc/92/86/64/798928664.db2.gz UPUDWMJSVLSCKS-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161862743 798951895 /nfs/dbraw/zinc/95/18/95/798951895.db2.gz JGVGOPDYUNFQPR-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161862743 798951899 /nfs/dbraw/zinc/95/18/99/798951899.db2.gz JGVGOPDYUNFQPR-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161862743 798951902 /nfs/dbraw/zinc/95/19/02/798951902.db2.gz JGVGOPDYUNFQPR-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938435 798973255 /nfs/dbraw/zinc/97/32/55/798973255.db2.gz MNKGJOZYRHRHNH-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531425 799650732 /nfs/dbraw/zinc/65/07/32/799650732.db2.gz DSGRNEPAIAWYPG-FXUDXRNXSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531425 799650737 /nfs/dbraw/zinc/65/07/37/799650737.db2.gz DSGRNEPAIAWYPG-FXUDXRNXSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492675 799736628 /nfs/dbraw/zinc/73/66/28/799736628.db2.gz ZKUCPYGBKNYOEL-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651175 800099262 /nfs/dbraw/zinc/09/92/62/800099262.db2.gz LWQVCIVBHDTMDB-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649321 800099533 /nfs/dbraw/zinc/09/95/33/800099533.db2.gz AJRCLHOOMXRZRH-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284929 800336638 /nfs/dbraw/zinc/33/66/38/800336638.db2.gz UGJMJKLIDJKYLX-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200081 800488774 /nfs/dbraw/zinc/48/87/74/800488774.db2.gz QBDTXQJSGCETRA-HZPDHXFCSA-N 2 1 300.381 2.311 20 30 DEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206482593 800540755 /nfs/dbraw/zinc/54/07/55/800540755.db2.gz VMKQWBXQLRTQJH-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1OC ZINC001206615500 800565828 /nfs/dbraw/zinc/56/58/28/800565828.db2.gz GJCXYBRNOHZEJS-INIZCTEOSA-N 2 1 302.418 2.268 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207279124 800720852 /nfs/dbraw/zinc/72/08/52/800720852.db2.gz BXZANHOSTOWCJK-SFHVURJKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684023 800807217 /nfs/dbraw/zinc/80/72/17/800807217.db2.gz JSEUJEWQYUMTLX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006692 801111447 /nfs/dbraw/zinc/11/14/47/801111447.db2.gz HBJHCUHENTURJI-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006692 801111451 /nfs/dbraw/zinc/11/14/51/801111451.db2.gz HBJHCUHENTURJI-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209424956 801190319 /nfs/dbraw/zinc/19/03/19/801190319.db2.gz XMMKPBOKONYGLA-UHFFFAOYSA-N 2 1 318.465 2.257 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598219 801432662 /nfs/dbraw/zinc/43/26/62/801432662.db2.gz IESPADSZPITMKY-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773438 801461500 /nfs/dbraw/zinc/46/15/00/801461500.db2.gz JBOLUJNYFNXLGR-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367099 801556302 /nfs/dbraw/zinc/55/63/02/801556302.db2.gz NXVCZWKMJKJLEA-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374216 801556661 /nfs/dbraw/zinc/55/66/61/801556661.db2.gz DCRGPZASJYATJU-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374216 801556667 /nfs/dbraw/zinc/55/66/67/801556667.db2.gz DCRGPZASJYATJU-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642792 802439622 /nfs/dbraw/zinc/43/96/22/802439622.db2.gz KWWOPERXFYTIKG-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222050725 802635467 /nfs/dbraw/zinc/63/54/67/802635467.db2.gz DNLPFAOOSVMODT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050725 802635468 /nfs/dbraw/zinc/63/54/68/802635468.db2.gz DNLPFAOOSVMODT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050725 802635472 /nfs/dbraw/zinc/63/54/72/802635472.db2.gz DNLPFAOOSVMODT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092568 802641158 /nfs/dbraw/zinc/64/11/58/802641158.db2.gz SJKCRILVNDIYSG-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092568 802641161 /nfs/dbraw/zinc/64/11/61/802641161.db2.gz SJKCRILVNDIYSG-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226830103 803166097 /nfs/dbraw/zinc/16/60/97/803166097.db2.gz BXIBGZDTYLGUPT-IAGOWNOFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001228190669 803330585 /nfs/dbraw/zinc/33/05/85/803330585.db2.gz ZCXUBVYWHREIQN-MWDXBVQZSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001328521559 1148806026 /nfs/dbraw/zinc/80/60/26/1148806026.db2.gz BHJAALJFDDZECM-UHFFFAOYSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001328738792 1148830424 /nfs/dbraw/zinc/83/04/24/1148830424.db2.gz YPUNORFEGSTSDP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001328738792 1148830426 /nfs/dbraw/zinc/83/04/26/1148830426.db2.gz YPUNORFEGSTSDP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001328738792 1148830428 /nfs/dbraw/zinc/83/04/28/1148830428.db2.gz YPUNORFEGSTSDP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328749197 1148831146 /nfs/dbraw/zinc/83/11/46/1148831146.db2.gz KANRXGUHSGIRPO-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328796099 1148835864 /nfs/dbraw/zinc/83/58/64/1148835864.db2.gz GUFWGKGRNUGTBH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611658 1058191570 /nfs/dbraw/zinc/19/15/70/1058191570.db2.gz SPFPPPOSLYMXBK-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611658 1058191576 /nfs/dbraw/zinc/19/15/76/1058191576.db2.gz SPFPPPOSLYMXBK-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611658 1058191584 /nfs/dbraw/zinc/19/15/84/1058191584.db2.gz SPFPPPOSLYMXBK-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611658 1058191590 /nfs/dbraw/zinc/19/15/90/1058191590.db2.gz SPFPPPOSLYMXBK-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001500088060 1058483772 /nfs/dbraw/zinc/48/37/72/1058483772.db2.gz IPLQPURUOKYUDC-IRXDYDNUSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462299851 1058795456 /nfs/dbraw/zinc/79/54/56/1058795456.db2.gz YBPZFNLYRZVLHB-LZLYRXPVSA-N 2 1 306.450 2.043 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462299851 1058795477 /nfs/dbraw/zinc/79/54/77/1058795477.db2.gz YBPZFNLYRZVLHB-LZLYRXPVSA-N 2 1 306.450 2.043 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001502150160 1060003491 /nfs/dbraw/zinc/00/34/91/1060003491.db2.gz NOWZOKCVZKPNSY-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001502366100 1060077384 /nfs/dbraw/zinc/07/73/84/1060077384.db2.gz WSRUIRYGUPFBNQ-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001502366100 1060077401 /nfs/dbraw/zinc/07/74/01/1060077401.db2.gz WSRUIRYGUPFBNQ-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001502366100 1060077421 /nfs/dbraw/zinc/07/74/21/1060077421.db2.gz WSRUIRYGUPFBNQ-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060409004 /nfs/dbraw/zinc/40/90/04/1060409004.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060409012 /nfs/dbraw/zinc/40/90/12/1060409012.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953292 1060409021 /nfs/dbraw/zinc/40/90/21/1060409021.db2.gz VLYDHACQSGWOIW-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001479871201 1061959434 /nfs/dbraw/zinc/95/94/34/1061959434.db2.gz ZIQDQFAPQDPXOI-UHFFFAOYSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480333092 1062668956 /nfs/dbraw/zinc/66/89/56/1062668956.db2.gz QMOKPBNLSCTXKD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480333092 1062668962 /nfs/dbraw/zinc/66/89/62/1062668962.db2.gz QMOKPBNLSCTXKD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480333092 1062668968 /nfs/dbraw/zinc/66/89/68/1062668968.db2.gz QMOKPBNLSCTXKD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480381526 1062759925 /nfs/dbraw/zinc/75/99/25/1062759925.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381526 1062759945 /nfs/dbraw/zinc/75/99/45/1062759945.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381526 1062759970 /nfs/dbraw/zinc/75/99/70/1062759970.db2.gz CTPPQZKNBMKCAO-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387877 1062776202 /nfs/dbraw/zinc/77/62/02/1062776202.db2.gz UVSVOZNXXWVCNR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480785797 1063342426 /nfs/dbraw/zinc/34/24/26/1063342426.db2.gz IXFMSEPRXIZJPZ-AEFFLSMTSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494077938 1064115426 /nfs/dbraw/zinc/11/54/26/1064115426.db2.gz DFRCFQWMWNDNMT-SFHVURJKSA-N 2 1 319.493 2.104 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001494195613 1064167862 /nfs/dbraw/zinc/16/78/62/1064167862.db2.gz IAWLGWBNPGMQJR-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001567692492 1064349160 /nfs/dbraw/zinc/34/91/60/1064349160.db2.gz BTKSTKQZLSAASZ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001567862398 1064467617 /nfs/dbraw/zinc/46/76/17/1064467617.db2.gz JFPNLVLDQBKVCC-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001567862398 1064467629 /nfs/dbraw/zinc/46/76/29/1064467629.db2.gz JFPNLVLDQBKVCC-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001567862398 1064467637 /nfs/dbraw/zinc/46/76/37/1064467637.db2.gz JFPNLVLDQBKVCC-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001568107563 1064649241 /nfs/dbraw/zinc/64/92/41/1064649241.db2.gz HEIWBCGTOYERMA-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001568112459 1064652585 /nfs/dbraw/zinc/65/25/85/1064652585.db2.gz ZANSNENYGPEHCW-BZSNNMDCSA-N 2 1 319.493 2.290 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001568452694 1064881837 /nfs/dbraw/zinc/88/18/37/1064881837.db2.gz IWLNBVGMGWYKOD-QZTJIDSGSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001495505823 1064953189 /nfs/dbraw/zinc/95/31/89/1064953189.db2.gz RQBXBAYREOSCPF-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632513 1065008694 /nfs/dbraw/zinc/00/86/94/1065008694.db2.gz MFVMDXHUHSDRGR-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632713 1065009443 /nfs/dbraw/zinc/00/94/43/1065009443.db2.gz PDNAPUKTWPLMII-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001496448388 1065477550 /nfs/dbraw/zinc/47/75/50/1065477550.db2.gz HRPOPVUJHVSWBH-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001569451562 1065515290 /nfs/dbraw/zinc/51/52/90/1065515290.db2.gz CDBUZMXSPMBRNE-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001569455569 1065516663 /nfs/dbraw/zinc/51/66/63/1065516663.db2.gz RDESAYYSOJIDQQ-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001569455569 1065516675 /nfs/dbraw/zinc/51/66/75/1065516675.db2.gz RDESAYYSOJIDQQ-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001569455569 1065516686 /nfs/dbraw/zinc/51/66/86/1065516686.db2.gz RDESAYYSOJIDQQ-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001569706459 1065681462 /nfs/dbraw/zinc/68/14/62/1065681462.db2.gz MGKSJTVERSSIGS-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001569801835 1065726826 /nfs/dbraw/zinc/72/68/26/1065726826.db2.gz IXDIFSJSXXJSHQ-QZTJIDSGSA-N 2 1 315.461 2.276 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001569819521 1065740269 /nfs/dbraw/zinc/74/02/69/1065740269.db2.gz ASCHKQREHGZZOM-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496911285 1065799518 /nfs/dbraw/zinc/79/95/18/1065799518.db2.gz HOJBKAHZRFOTRL-SJORKVTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001570055027 1065905486 /nfs/dbraw/zinc/90/54/86/1065905486.db2.gz LUSSJNGRAUKKDC-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP CC(C)[C@@H](C[NH3+])C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001575421918 1066298052 /nfs/dbraw/zinc/29/80/52/1066298052.db2.gz CTSQSPMKUCMEET-ROUUACIJSA-N 2 1 300.450 2.100 20 30 DEEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001267865485 1079551712 /nfs/dbraw/zinc/55/17/12/1079551712.db2.gz WWAGZNDWZZNQRO-KRWDZBQOSA-N 2 1 304.438 2.032 20 30 DEEDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)Cc1cc(C#N)cs1 ZINC001578489736 1067118176 /nfs/dbraw/zinc/11/81/76/1067118176.db2.gz IQZHRAFCDZWWBR-UHFFFAOYSA-N 2 1 316.430 2.254 20 30 DEEDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)o1)Cc1cc(C#N)cs1 ZINC001578489736 1067118179 /nfs/dbraw/zinc/11/81/79/1067118179.db2.gz IQZHRAFCDZWWBR-UHFFFAOYSA-N 2 1 316.430 2.254 20 30 DEEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC001580076223 1067490586 /nfs/dbraw/zinc/49/05/86/1067490586.db2.gz RJNFTSJCPBXWID-HNNXBMFYSA-N 2 1 300.406 2.090 20 30 DEEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@H]([NH3+])C2)c1 ZINC001580076223 1067490588 /nfs/dbraw/zinc/49/05/88/1067490588.db2.gz RJNFTSJCPBXWID-HNNXBMFYSA-N 2 1 300.406 2.090 20 30 DEEDMP CCCCCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001671188393 1078609264 /nfs/dbraw/zinc/60/92/64/1078609264.db2.gz PSFBFRDFHQFCRO-MRXNPFEDSA-N 2 1 309.498 2.441 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570621818 1068039971 /nfs/dbraw/zinc/03/99/71/1068039971.db2.gz OXFJYVNDMPCQQW-HOTGVXAUSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710069 1068084521 /nfs/dbraw/zinc/08/45/21/1068084521.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710069 1068084537 /nfs/dbraw/zinc/08/45/37/1068084537.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710069 1068084553 /nfs/dbraw/zinc/08/45/53/1068084553.db2.gz ASXDWQVIIAAVQX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570826949 1068130753 /nfs/dbraw/zinc/13/07/53/1068130753.db2.gz HJZHUNGJDKOCPY-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571017376 1068174553 /nfs/dbraw/zinc/17/45/53/1068174553.db2.gz ZBKZLZQLPWPGPS-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001571129405 1068184978 /nfs/dbraw/zinc/18/49/78/1068184978.db2.gz GSHWYBYITJLKIB-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001571326601 1068223214 /nfs/dbraw/zinc/22/32/14/1068223214.db2.gz XURSXVZHYHHNJH-WMZOPIPTSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571373882 1068256587 /nfs/dbraw/zinc/25/65/87/1068256587.db2.gz QJUDRJZCKFLTOG-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571373883 1068257809 /nfs/dbraw/zinc/25/78/09/1068257809.db2.gz QJUDRJZCKFLTOG-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639551 1068454066 /nfs/dbraw/zinc/45/40/66/1068454066.db2.gz QPKIDQQLJVLOFK-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267274048 1078720708 /nfs/dbraw/zinc/72/07/08/1078720708.db2.gz QDFBBOYNINQZGP-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001267274048 1078720715 /nfs/dbraw/zinc/72/07/15/1078720715.db2.gz QDFBBOYNINQZGP-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001267274048 1078720719 /nfs/dbraw/zinc/72/07/19/1078720719.db2.gz QDFBBOYNINQZGP-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001571696521 1068487199 /nfs/dbraw/zinc/48/71/99/1068487199.db2.gz XDKCUQIBSQFKBL-UHFFFAOYSA-N 2 1 316.449 2.331 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001571696521 1068487206 /nfs/dbraw/zinc/48/72/06/1068487206.db2.gz XDKCUQIBSQFKBL-UHFFFAOYSA-N 2 1 316.449 2.331 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001267279421 1078724935 /nfs/dbraw/zinc/72/49/35/1078724935.db2.gz FHDOIMXGYWGQLU-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483710185 1078841161 /nfs/dbraw/zinc/84/11/61/1078841161.db2.gz VRWPETNAHKRRDE-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483710185 1078841168 /nfs/dbraw/zinc/84/11/68/1078841168.db2.gz VRWPETNAHKRRDE-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001548702254 1072816179 /nfs/dbraw/zinc/81/61/79/1072816179.db2.gz GSVKGPIENZDHHC-LZLYRXPVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001649433062 1079115948 /nfs/dbraw/zinc/11/59/48/1079115948.db2.gz FTRGGCSFPVQKOB-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061372 1079141646 /nfs/dbraw/zinc/14/16/46/1079141646.db2.gz VXFPNHRBPIEOGG-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098606 1079181756 /nfs/dbraw/zinc/18/17/56/1079181756.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481098606 1079181764 /nfs/dbraw/zinc/18/17/64/1079181764.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481098606 1079181771 /nfs/dbraw/zinc/18/17/71/1079181771.db2.gz CUIZCRKUUYCQKJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001496300099 1079245529 /nfs/dbraw/zinc/24/55/29/1079245529.db2.gz IVYAMDNGLXZAER-IRXDYDNUSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566743688 1074997629 /nfs/dbraw/zinc/99/76/29/1074997629.db2.gz PPBJJSHZDFZNIY-MSOLQXFVSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001565921527 1075077688 /nfs/dbraw/zinc/07/76/88/1075077688.db2.gz HNJFNKZFGCATBC-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068293 1075132344 /nfs/dbraw/zinc/13/23/44/1075132344.db2.gz AMQOXMFMNUMDPL-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068293 1075132347 /nfs/dbraw/zinc/13/23/47/1075132347.db2.gz AMQOXMFMNUMDPL-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001566739281 1075330634 /nfs/dbraw/zinc/33/06/34/1075330634.db2.gz WRFNGSQPTBZRJI-INIZCTEOSA-N 2 1 324.428 2.060 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001566748503 1075334256 /nfs/dbraw/zinc/33/42/56/1075334256.db2.gz FIYWTBNFKBIXON-WCXIOVBPSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001566748503 1075334262 /nfs/dbraw/zinc/33/42/62/1075334262.db2.gz FIYWTBNFKBIXON-WCXIOVBPSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001566748503 1075334269 /nfs/dbraw/zinc/33/42/69/1075334269.db2.gz FIYWTBNFKBIXON-WCXIOVBPSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567128344 1075438119 /nfs/dbraw/zinc/43/81/19/1075438119.db2.gz NYVZDNKHSXNGPL-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790527 1079498008 /nfs/dbraw/zinc/49/80/08/1079498008.db2.gz QDUAUIMXBVBAFK-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267807162 1079508611 /nfs/dbraw/zinc/50/86/11/1079508611.db2.gz SQJZJYYKWKHUAD-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267807160 1079508631 /nfs/dbraw/zinc/50/86/31/1079508631.db2.gz SQJZJYYKWKHUAD-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)C2 ZINC001484390024 1079579816 /nfs/dbraw/zinc/57/98/16/1079579816.db2.gz DGNQEKZWJYGAPT-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001484390024 1079579822 /nfs/dbraw/zinc/57/98/22/1079579822.db2.gz DGNQEKZWJYGAPT-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001484390024 1079579829 /nfs/dbraw/zinc/57/98/29/1079579829.db2.gz DGNQEKZWJYGAPT-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1ccnc1)C2 ZINC001484391244 1079581480 /nfs/dbraw/zinc/58/14/80/1079581480.db2.gz JKBGMPZYWUIUAB-BJWYYQGGSA-N 2 1 316.449 2.209 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267897001 1079583158 /nfs/dbraw/zinc/58/31/58/1079583158.db2.gz HLAFTBYOZAHPOH-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267956875 1079636537 /nfs/dbraw/zinc/63/65/37/1079636537.db2.gz JOLVREGRWHLUSX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484526506 1079640538 /nfs/dbraw/zinc/64/05/38/1079640538.db2.gz FWKIWIMEGDDABT-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001481344052 1079737391 /nfs/dbraw/zinc/73/73/91/1079737391.db2.gz TZIWDLGCZSIMLL-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001481355955 1079752293 /nfs/dbraw/zinc/75/22/93/1079752293.db2.gz FMWVZJPVCNWHON-SFHVURJKSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484742678 1079760436 /nfs/dbraw/zinc/76/04/36/1079760436.db2.gz KLTUJHACGXPRMN-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484819683 1079813305 /nfs/dbraw/zinc/81/33/05/1079813305.db2.gz TXCQNRZIZSJFLL-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001485031543 1079924974 /nfs/dbraw/zinc/92/49/74/1079924974.db2.gz QCIXYNNXKOYWKK-KRWDZBQOSA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481504024 1079964279 /nfs/dbraw/zinc/96/42/79/1079964279.db2.gz KFYDAKWQWJCWKU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481504024 1079964283 /nfs/dbraw/zinc/96/42/83/1079964283.db2.gz KFYDAKWQWJCWKU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481504024 1079964285 /nfs/dbraw/zinc/96/42/85/1079964285.db2.gz KFYDAKWQWJCWKU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485162476 1080033003 /nfs/dbraw/zinc/03/30/03/1080033003.db2.gz IAJWWZPXTWVJKI-HUUCEWRRSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001656237917 1080071107 /nfs/dbraw/zinc/07/11/07/1080071107.db2.gz STDOWRMFYNREIC-FVQBIDKESA-N 2 1 304.438 2.031 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001656909882 1080138791 /nfs/dbraw/zinc/13/87/91/1080138791.db2.gz SIPPSGMVSQHFTH-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260656 /nfs/dbraw/zinc/26/06/56/1080260656.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260640 /nfs/dbraw/zinc/26/06/40/1080260640.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260642 /nfs/dbraw/zinc/26/06/42/1080260642.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260646 /nfs/dbraw/zinc/26/06/46/1080260646.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260648 /nfs/dbraw/zinc/26/06/48/1080260648.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260653 /nfs/dbraw/zinc/26/06/53/1080260653.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067747 1080260658 /nfs/dbraw/zinc/26/06/58/1080260658.db2.gz ZLBFMPAVYVLJKA-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485582530 1080313446 /nfs/dbraw/zinc/31/34/46/1080313446.db2.gz QNTDTCUXWVCKNG-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582530 1080313452 /nfs/dbraw/zinc/31/34/52/1080313452.db2.gz QNTDTCUXWVCKNG-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582530 1080313459 /nfs/dbraw/zinc/31/34/59/1080313459.db2.gz QNTDTCUXWVCKNG-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582219 1080313825 /nfs/dbraw/zinc/31/38/25/1080313825.db2.gz MXVNBXAIQCWXGB-HZPDHXFCSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494054529 1080371346 /nfs/dbraw/zinc/37/13/46/1080371346.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054529 1080371352 /nfs/dbraw/zinc/37/13/52/1080371352.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054529 1080371357 /nfs/dbraw/zinc/37/13/57/1080371357.db2.gz KMNPSTYBGUGCIQ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001272701371 1080444778 /nfs/dbraw/zinc/44/47/78/1080444778.db2.gz WANFPONRMOUNFH-RDJZCZTQSA-N 2 1 315.461 2.481 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001661142342 1080447386 /nfs/dbraw/zinc/44/73/86/1080447386.db2.gz JPSVIDAXAQTTGO-DLBZAZTESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661216477 1080459295 /nfs/dbraw/zinc/45/92/95/1080459295.db2.gz QTCCXLCBLLZVMH-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783639 1080503215 /nfs/dbraw/zinc/50/32/15/1080503215.db2.gz YDNCGANOKUOVLL-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783639 1080503219 /nfs/dbraw/zinc/50/32/19/1080503219.db2.gz YDNCGANOKUOVLL-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268472874 1080576433 /nfs/dbraw/zinc/57/64/33/1080576433.db2.gz IBGKQLPKXSPZJO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662863824 1080668993 /nfs/dbraw/zinc/66/89/93/1080668993.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662863824 1080668997 /nfs/dbraw/zinc/66/89/97/1080668997.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662863824 1080668998 /nfs/dbraw/zinc/66/89/98/1080668998.db2.gz ZPNCXFDUEWYPDD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872731 1080671105 /nfs/dbraw/zinc/67/11/05/1080671105.db2.gz RUGVVNBXWFOQMH-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872731 1080671112 /nfs/dbraw/zinc/67/11/12/1080671112.db2.gz RUGVVNBXWFOQMH-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001482021880 1080696456 /nfs/dbraw/zinc/69/64/56/1080696456.db2.gz LMJZOWKMHRFJAZ-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001663777554 1080815148 /nfs/dbraw/zinc/81/51/48/1080815148.db2.gz OQPXXMVESDSGMD-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001663777554 1080815151 /nfs/dbraw/zinc/81/51/51/1080815151.db2.gz OQPXXMVESDSGMD-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001663777554 1080815154 /nfs/dbraw/zinc/81/51/54/1080815154.db2.gz OQPXXMVESDSGMD-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001664442682 1080910891 /nfs/dbraw/zinc/91/08/91/1080910891.db2.gz NUQNWCUABBLHHQ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001664457435 1080912306 /nfs/dbraw/zinc/91/23/06/1080912306.db2.gz OGVQSLAJGPZEIU-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742192 1080963381 /nfs/dbraw/zinc/96/33/81/1080963381.db2.gz FGVYIGZCGDHQTM-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742192 1080963384 /nfs/dbraw/zinc/96/33/84/1080963384.db2.gz FGVYIGZCGDHQTM-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664818266 1080966444 /nfs/dbraw/zinc/96/64/44/1080966444.db2.gz RKFXCOMRHKPMER-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818266 1080966447 /nfs/dbraw/zinc/96/64/47/1080966447.db2.gz RKFXCOMRHKPMER-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818266 1080966453 /nfs/dbraw/zinc/96/64/53/1080966453.db2.gz RKFXCOMRHKPMER-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001268988055 1081077126 /nfs/dbraw/zinc/07/71/26/1081077126.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 2 1 307.482 2.194 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268988055 1081077132 /nfs/dbraw/zinc/07/71/32/1081077132.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 2 1 307.482 2.194 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268988055 1081077138 /nfs/dbraw/zinc/07/71/38/1081077138.db2.gz KPHGUZJJPCNAKO-ULQDDVLXSA-N 2 1 307.482 2.194 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001665937421 1081099427 /nfs/dbraw/zinc/09/94/27/1081099427.db2.gz DHXHVZPVCHPWDK-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001269097141 1081115153 /nfs/dbraw/zinc/11/51/53/1081115153.db2.gz RHRUICSKLLLSAL-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269302996 1081204205 /nfs/dbraw/zinc/20/42/05/1081204205.db2.gz XPQSGZZGIMLKTD-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269302996 1081204210 /nfs/dbraw/zinc/20/42/10/1081204210.db2.gz XPQSGZZGIMLKTD-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269302996 1081204213 /nfs/dbraw/zinc/20/42/13/1081204213.db2.gz XPQSGZZGIMLKTD-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269302996 1081204217 /nfs/dbraw/zinc/20/42/17/1081204217.db2.gz XPQSGZZGIMLKTD-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001667498154 1081258277 /nfs/dbraw/zinc/25/82/77/1081258277.db2.gz IORSDEWXCSBIGJ-SJORKVTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001482222459 1081259665 /nfs/dbraw/zinc/25/96/65/1081259665.db2.gz LRBKJSKSPAYODY-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667566699 1081264365 /nfs/dbraw/zinc/26/43/65/1081264365.db2.gz TVZVWAJDZSPMSE-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667566699 1081264370 /nfs/dbraw/zinc/26/43/70/1081264370.db2.gz TVZVWAJDZSPMSE-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCCC ZINC001270065987 1081442421 /nfs/dbraw/zinc/44/24/21/1081442421.db2.gz CIWXZSLSRLDISL-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCCC ZINC001270065987 1081442422 /nfs/dbraw/zinc/44/24/22/1081442422.db2.gz CIWXZSLSRLDISL-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671476916 1081518914 /nfs/dbraw/zinc/51/89/14/1081518914.db2.gz ATZMJZFNUAOCSJ-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671887257 1081546027 /nfs/dbraw/zinc/54/60/27/1081546027.db2.gz KWNMDTWNVIEOOJ-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671887257 1081546030 /nfs/dbraw/zinc/54/60/30/1081546030.db2.gz KWNMDTWNVIEOOJ-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671887257 1081546032 /nfs/dbraw/zinc/54/60/32/1081546032.db2.gz KWNMDTWNVIEOOJ-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001673218274 1081747152 /nfs/dbraw/zinc/74/71/52/1081747152.db2.gz JGMWEIQEMASUTJ-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095862563 1081775020 /nfs/dbraw/zinc/77/50/20/1081775020.db2.gz RIUSBDZVOLMRPQ-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001266489125 1082071270 /nfs/dbraw/zinc/07/12/70/1082071270.db2.gz XCTUDJODCIJHIG-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670640937 1082202093 /nfs/dbraw/zinc/20/20/93/1082202093.db2.gz KXUQPCDBRCHPEG-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001271953400 1082206289 /nfs/dbraw/zinc/20/62/89/1082206289.db2.gz DPUCCTXYIVLDOW-HDICACEKSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001266613737 1082210856 /nfs/dbraw/zinc/21/08/56/1082210856.db2.gz DMQRYOLLAOVEIB-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769726 1082332378 /nfs/dbraw/zinc/33/23/78/1082332378.db2.gz GRLMINOUQCLEQM-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769726 1082332386 /nfs/dbraw/zinc/33/23/86/1082332386.db2.gz GRLMINOUQCLEQM-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266770133 1082332646 /nfs/dbraw/zinc/33/26/46/1082332646.db2.gz PEPOUTUKOAXTLN-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266841896 1082383954 /nfs/dbraw/zinc/38/39/54/1082383954.db2.gz DQZKDGVKLOTILV-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482681580 1082475769 /nfs/dbraw/zinc/47/57/69/1082475769.db2.gz JWTHMDTXFQTTOB-WBVHZDCISA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051708 1082663823 /nfs/dbraw/zinc/66/38/23/1082663823.db2.gz XCLUFWLZGALBLQ-JTHGQSKGSA-N 2 1 317.477 2.069 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439057 1083395197 /nfs/dbraw/zinc/39/51/97/1083395197.db2.gz PWNQMYYSHZTTEA-ZIFCJYIRSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547422 1083476770 /nfs/dbraw/zinc/47/67/70/1083476770.db2.gz MKLKHTWBSAIKJE-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615465 1083521359 /nfs/dbraw/zinc/52/13/59/1083521359.db2.gz BWQGHDJDOHMLRT-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615465 1083521364 /nfs/dbraw/zinc/52/13/64/1083521364.db2.gz BWQGHDJDOHMLRT-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615465 1083521369 /nfs/dbraw/zinc/52/13/69/1083521369.db2.gz BWQGHDJDOHMLRT-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001276983540 1083717308 /nfs/dbraw/zinc/71/73/08/1083717308.db2.gz MXKCGYMKKNEBLL-ULQDDVLXSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001670924370 1084147354 /nfs/dbraw/zinc/14/73/54/1084147354.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924370 1084147356 /nfs/dbraw/zinc/14/73/56/1084147356.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924370 1084147362 /nfs/dbraw/zinc/14/73/62/1084147362.db2.gz XELXSEPMTYFYCZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC000964393582 1085204707 /nfs/dbraw/zinc/20/47/07/1085204707.db2.gz TZYGIGWLNJJQRT-UHFFFAOYSA-N 2 1 324.856 2.303 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412567 1085281656 /nfs/dbraw/zinc/28/16/56/1085281656.db2.gz WRLDIXZIAKZIIX-HNNXBMFYSA-N 2 1 309.498 2.108 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001486437581 1085313258 /nfs/dbraw/zinc/31/32/58/1085313258.db2.gz BEJLUGXCDVNBNU-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180379 1085627034 /nfs/dbraw/zinc/62/70/34/1085627034.db2.gz GRZMAHPWJCAIFC-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001273105586 1086201315 /nfs/dbraw/zinc/20/13/15/1086201315.db2.gz DEZOPFYEEMTEMF-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCN1CC[C@@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127542 1086287388 /nfs/dbraw/zinc/28/73/88/1086287388.db2.gz DDBXSESEJWSDHZ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273128138 1086290409 /nfs/dbraw/zinc/29/04/09/1086290409.db2.gz OSYUTYHPYNDEGR-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944912 1090531946 /nfs/dbraw/zinc/53/19/46/1090531946.db2.gz WSTVVHOXEVQSFL-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944912 1090531951 /nfs/dbraw/zinc/53/19/51/1090531951.db2.gz WSTVVHOXEVQSFL-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944912 1090531956 /nfs/dbraw/zinc/53/19/56/1090531956.db2.gz WSTVVHOXEVQSFL-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120128943 1090650457 /nfs/dbraw/zinc/65/04/57/1090650457.db2.gz BLXYECWYJZSZNF-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001274368691 1091210253 /nfs/dbraw/zinc/21/02/53/1091210253.db2.gz UAALJGJCOYMUSZ-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001273419536 1091324192 /nfs/dbraw/zinc/32/41/92/1091324192.db2.gz WOGVISATFWDONA-JKSUJKDBSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCCN(CC(=O)N(C)C)C2)C1 ZINC001274961865 1091489679 /nfs/dbraw/zinc/48/96/79/1091489679.db2.gz CMVNWGUKIZNLOG-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275003967 1091510969 /nfs/dbraw/zinc/51/09/69/1091510969.db2.gz HMFUZIANPZZJBA-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001275116306 1091565840 /nfs/dbraw/zinc/56/58/40/1091565840.db2.gz VXEZSXNZJRBXMK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001275116306 1091565845 /nfs/dbraw/zinc/56/58/45/1091565845.db2.gz VXEZSXNZJRBXMK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCC(C)C ZINC001275116306 1091565854 /nfs/dbraw/zinc/56/58/54/1091565854.db2.gz VXEZSXNZJRBXMK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCC(C)C ZINC001275116306 1091565863 /nfs/dbraw/zinc/56/58/63/1091565863.db2.gz VXEZSXNZJRBXMK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001276146729 1091597498 /nfs/dbraw/zinc/59/74/98/1091597498.db2.gz JAWABXBEIYLURJ-ROUUACIJSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475816 1091868857 /nfs/dbraw/zinc/86/88/57/1091868857.db2.gz UAZPDXXMNADLQO-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001273475820 1091869203 /nfs/dbraw/zinc/86/92/03/1091869203.db2.gz UBDJWUTYSXOOPH-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001275580905 1091884031 /nfs/dbraw/zinc/88/40/31/1091884031.db2.gz UGYFYGKAMNYROB-HZPDHXFCSA-N 2 1 303.450 2.177 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275580905 1091884036 /nfs/dbraw/zinc/88/40/36/1091884036.db2.gz UGYFYGKAMNYROB-HZPDHXFCSA-N 2 1 303.450 2.177 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001490616358 1093446650 /nfs/dbraw/zinc/44/66/50/1093446650.db2.gz FTWWASUPHDLPLU-SJLPKXTDSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001691716602 1138210055 /nfs/dbraw/zinc/21/00/55/1138210055.db2.gz SRAUZBJPOGGXIQ-GASCZTMLSA-N 2 1 307.482 2.310 20 30 DEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933992 1138460737 /nfs/dbraw/zinc/46/07/37/1138460737.db2.gz BKBADKZCIPMDNN-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCC1 ZINC001278274798 1138871471 /nfs/dbraw/zinc/87/14/71/1138871471.db2.gz LPJFSFKICHOLRY-INIZCTEOSA-N 2 1 318.465 2.457 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)nn1 ZINC001240346773 1139342064 /nfs/dbraw/zinc/34/20/64/1139342064.db2.gz XDTYLBQIYKFZSA-UHFFFAOYSA-N 2 1 316.368 2.196 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318428622 1140325854 /nfs/dbraw/zinc/32/58/54/1140325854.db2.gz KZFBJSONDCKHRR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318428622 1140325863 /nfs/dbraw/zinc/32/58/63/1140325863.db2.gz KZFBJSONDCKHRR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318428622 1140325871 /nfs/dbraw/zinc/32/58/71/1140325871.db2.gz KZFBJSONDCKHRR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318446185 1140334299 /nfs/dbraw/zinc/33/42/99/1140334299.db2.gz TYUMLAXDFMLKAI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318446185 1140334307 /nfs/dbraw/zinc/33/43/07/1140334307.db2.gz TYUMLAXDFMLKAI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318446185 1140334310 /nfs/dbraw/zinc/33/43/10/1140334310.db2.gz TYUMLAXDFMLKAI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001318527998 1140359693 /nfs/dbraw/zinc/35/96/93/1140359693.db2.gz HASPSFCWNZGCKK-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001319145042 1140512702 /nfs/dbraw/zinc/51/27/02/1140512702.db2.gz NIJCXNNDXJSQBM-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001319145042 1140512707 /nfs/dbraw/zinc/51/27/07/1140512707.db2.gz NIJCXNNDXJSQBM-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001319145042 1140512710 /nfs/dbraw/zinc/51/27/10/1140512710.db2.gz NIJCXNNDXJSQBM-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319649034 1140638562 /nfs/dbraw/zinc/63/85/62/1140638562.db2.gz UPDOPMGUSWWPSQ-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320017072 1140812461 /nfs/dbraw/zinc/81/24/61/1140812461.db2.gz YIQGFQIHNIKDEK-UHFFFAOYSA-N 2 1 300.406 2.223 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438813 1140877964 /nfs/dbraw/zinc/87/79/64/1140877964.db2.gz XRAXVTPZBYTNII-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719898 1141044695 /nfs/dbraw/zinc/04/46/95/1141044695.db2.gz HMXUCLXOFYRCTE-XMTFNYHQSA-N 2 1 308.466 2.201 20 30 DEEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001322193906 1141446442 /nfs/dbraw/zinc/44/64/42/1141446442.db2.gz OFFGWQQNKDBDPX-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001322193906 1141446466 /nfs/dbraw/zinc/44/64/66/1141446466.db2.gz OFFGWQQNKDBDPX-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001322193906 1141446486 /nfs/dbraw/zinc/44/64/86/1141446486.db2.gz OFFGWQQNKDBDPX-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001323873577 1141895156 /nfs/dbraw/zinc/89/51/56/1141895156.db2.gz POYOPIQVKSWQMN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001323873577 1141895157 /nfs/dbraw/zinc/89/51/57/1141895157.db2.gz POYOPIQVKSWQMN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001323873577 1141895158 /nfs/dbraw/zinc/89/51/58/1141895158.db2.gz POYOPIQVKSWQMN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001278582916 1142241824 /nfs/dbraw/zinc/24/18/24/1142241824.db2.gz RVZJHNMDSVWCMY-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP N#CCC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252929371 1142831226 /nfs/dbraw/zinc/83/12/26/1142831226.db2.gz FDNIIIARYRYPNC-IBGZPJMESA-N 2 1 313.445 2.249 20 30 DEEDMP N#CCC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252929371 1142831227 /nfs/dbraw/zinc/83/12/27/1142831227.db2.gz FDNIIIARYRYPNC-IBGZPJMESA-N 2 1 313.445 2.249 20 30 DEEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664133 1143306125 /nfs/dbraw/zinc/30/61/25/1143306125.db2.gz UKWQGJOYANCKID-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664133 1143306135 /nfs/dbraw/zinc/30/61/35/1143306135.db2.gz UKWQGJOYANCKID-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664133 1143306144 /nfs/dbraw/zinc/30/61/44/1143306144.db2.gz UKWQGJOYANCKID-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001341716560 1143680573 /nfs/dbraw/zinc/68/05/73/1143680573.db2.gz HXSKQSXGVZABJC-ZWKOTPCHSA-N 2 1 315.461 2.403 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256621399 1143857834 /nfs/dbraw/zinc/85/78/34/1143857834.db2.gz ROZMMTWEFCRQFW-ALOPSCKCSA-N 2 1 321.465 2.236 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805569 1144396442 /nfs/dbraw/zinc/39/64/42/1144396442.db2.gz RCRISJIDYZMTAM-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264002004 1144440213 /nfs/dbraw/zinc/44/02/13/1144440213.db2.gz QLONUAJJOIXCBL-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264120205 1144475011 /nfs/dbraw/zinc/47/50/11/1144475011.db2.gz FJUDGOWANPSNSH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264144390 1144485099 /nfs/dbraw/zinc/48/50/99/1144485099.db2.gz IYQPHQBKSIZMOY-PMPSAXMXSA-N 2 1 313.461 2.212 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264184400 1144499804 /nfs/dbraw/zinc/49/98/04/1144499804.db2.gz QXNDXQNWRZNYGG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001264184400 1144499813 /nfs/dbraw/zinc/49/98/13/1144499813.db2.gz QXNDXQNWRZNYGG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264184400 1144499825 /nfs/dbraw/zinc/49/98/25/1144499825.db2.gz QXNDXQNWRZNYGG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264479038 1144545424 /nfs/dbraw/zinc/54/54/24/1144545424.db2.gz ZENXCDWSDBUNAU-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599674 /nfs/dbraw/zinc/59/96/74/1144599674.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599679 /nfs/dbraw/zinc/59/96/79/1144599679.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001264713217 1144599686 /nfs/dbraw/zinc/59/96/86/1144599686.db2.gz UETSTJCBPWLYFS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233301 1144673446 /nfs/dbraw/zinc/67/34/46/1144673446.db2.gz QIPCQBDCOFVWNI-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233301 1144673449 /nfs/dbraw/zinc/67/34/49/1144673449.db2.gz QIPCQBDCOFVWNI-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)CC[N@@H+](C)CC)CC1 ZINC001265341030 1144696318 /nfs/dbraw/zinc/69/63/18/1144696318.db2.gz IQGCMOYKVKVUAS-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394998 1144701934 /nfs/dbraw/zinc/70/19/34/1144701934.db2.gz MWBCSRXENUWOKA-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265399171 1144702267 /nfs/dbraw/zinc/70/22/67/1144702267.db2.gz QHVBBTXABODRMQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265399171 1144702268 /nfs/dbraw/zinc/70/22/68/1144702268.db2.gz QHVBBTXABODRMQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265399171 1144702270 /nfs/dbraw/zinc/70/22/70/1144702270.db2.gz QHVBBTXABODRMQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265454466 1144704935 /nfs/dbraw/zinc/70/49/35/1144704935.db2.gz QVBAYOXPFPAPGN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265595265 1144716349 /nfs/dbraw/zinc/71/63/49/1144716349.db2.gz VQHKKQBZKVNUFG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595265 1144716351 /nfs/dbraw/zinc/71/63/51/1144716351.db2.gz VQHKKQBZKVNUFG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595265 1144716353 /nfs/dbraw/zinc/71/63/53/1144716353.db2.gz VQHKKQBZKVNUFG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708364 1144732669 /nfs/dbraw/zinc/73/26/69/1144732669.db2.gz NCDGPWQQPZDKRJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266041449 1144798516 /nfs/dbraw/zinc/79/85/16/1144798516.db2.gz VRJWKCCBHFBDSN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266240796 1144818278 /nfs/dbraw/zinc/81/82/78/1144818278.db2.gz CSOSVFIHKJQQAZ-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001281004877 1144868036 /nfs/dbraw/zinc/86/80/36/1144868036.db2.gz YFQJJKYPGYTMSD-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316616395 1144927548 /nfs/dbraw/zinc/92/75/48/1144927548.db2.gz MKKDUBXVQWLOGN-JZXOWHBKSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001282677898 1145123031 /nfs/dbraw/zinc/12/30/31/1145123031.db2.gz JZNOXXSJGCKRFQ-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001283318905 1145360142 /nfs/dbraw/zinc/36/01/42/1145360142.db2.gz DVUYUAURTQIINY-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001283318905 1145360148 /nfs/dbraw/zinc/36/01/48/1145360148.db2.gz DVUYUAURTQIINY-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001283318905 1145360155 /nfs/dbraw/zinc/36/01/55/1145360155.db2.gz DVUYUAURTQIINY-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001284131550 1145805513 /nfs/dbraw/zinc/80/55/13/1145805513.db2.gz QSHLQVVKLAJJSI-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001284930383 1145975340 /nfs/dbraw/zinc/97/53/40/1145975340.db2.gz RZOBQTOXPWXTKD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001284930383 1145975352 /nfs/dbraw/zinc/97/53/52/1145975352.db2.gz RZOBQTOXPWXTKD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001284930383 1145975363 /nfs/dbraw/zinc/97/53/63/1145975363.db2.gz RZOBQTOXPWXTKD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154680 1147101903 /nfs/dbraw/zinc/10/19/03/1147101903.db2.gz RJEKYEQLNQXQBK-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001366675712 1147471514 /nfs/dbraw/zinc/47/15/14/1147471514.db2.gz ZTWMBGQAYDNPSY-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001366675712 1147471516 /nfs/dbraw/zinc/47/15/16/1147471516.db2.gz ZTWMBGQAYDNPSY-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001366675712 1147471519 /nfs/dbraw/zinc/47/15/19/1147471519.db2.gz ZTWMBGQAYDNPSY-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001366675712 1147471525 /nfs/dbraw/zinc/47/15/25/1147471525.db2.gz ZTWMBGQAYDNPSY-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001316699853 1147565651 /nfs/dbraw/zinc/56/56/51/1147565651.db2.gz KJTWZZKTBNVDRA-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317042780 1147581235 /nfs/dbraw/zinc/58/12/35/1147581235.db2.gz GQVHRVLKVOHGIC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317042780 1147581238 /nfs/dbraw/zinc/58/12/38/1147581238.db2.gz GQVHRVLKVOHGIC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317179864 1147672261 /nfs/dbraw/zinc/67/22/61/1147672261.db2.gz YFOOGKJUACAACZ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317179864 1147672263 /nfs/dbraw/zinc/67/22/63/1147672263.db2.gz YFOOGKJUACAACZ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317179864 1147672265 /nfs/dbraw/zinc/67/22/65/1147672265.db2.gz YFOOGKJUACAACZ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001317220723 1147679147 /nfs/dbraw/zinc/67/91/47/1147679147.db2.gz HKTSMXFPXUDKAD-TVPLGVNVSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001367730600 1147734299 /nfs/dbraw/zinc/73/42/99/1147734299.db2.gz CFUULZMDKAMZOY-QWHCGFSZSA-N 2 1 312.845 2.243 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001326383173 1148089212 /nfs/dbraw/zinc/08/92/12/1148089212.db2.gz PXUVNZRSEZWYAG-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330189029 282210968 /nfs/dbraw/zinc/21/09/68/282210968.db2.gz LOCZHXOXKHHJOZ-IMJJTQAJSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330189029 282210972 /nfs/dbraw/zinc/21/09/72/282210972.db2.gz LOCZHXOXKHHJOZ-IMJJTQAJSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330189029 282210973 /nfs/dbraw/zinc/21/09/73/282210973.db2.gz LOCZHXOXKHHJOZ-IMJJTQAJSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330189029 282210976 /nfs/dbraw/zinc/21/09/76/282210976.db2.gz LOCZHXOXKHHJOZ-IMJJTQAJSA-N 2 1 319.453 2.053 20 30 DEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264281947 529686954 /nfs/dbraw/zinc/68/69/54/529686954.db2.gz NYRBDHJJKHXMIE-LBPRGKRZSA-N 2 1 308.426 2.161 20 30 DEEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713327 529774551 /nfs/dbraw/zinc/77/45/51/529774551.db2.gz ISVBNYVSLXWVOP-OALUTQOASA-N 2 1 312.461 2.216 20 30 DEEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000261977702 530062610 /nfs/dbraw/zinc/06/26/10/530062610.db2.gz GTYDLTWBRVIMRY-NSHDSACASA-N 2 1 316.327 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001421886278 1172089852 /nfs/dbraw/zinc/08/98/52/1172089852.db2.gz GNGIUPBKACQMEA-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031549 355462225 /nfs/dbraw/zinc/46/22/25/355462225.db2.gz VLDWCEYJDHYOSD-GOEBONIOSA-N 2 1 316.449 2.146 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000602556083 360431013 /nfs/dbraw/zinc/43/10/13/360431013.db2.gz QJWKMLSTDMQEKA-BHIYHBOVSA-N 2 1 315.461 2.399 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000602556083 360431018 /nfs/dbraw/zinc/43/10/18/360431018.db2.gz QJWKMLSTDMQEKA-BHIYHBOVSA-N 2 1 315.461 2.399 20 30 DEEDMP C#CC[NH2+]CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001354190478 1151876657 /nfs/dbraw/zinc/87/66/57/1151876657.db2.gz IFOZDEJOWOMZQP-UHFFFAOYSA-N 2 1 317.458 2.036 20 30 DEEDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422973480 533521752 /nfs/dbraw/zinc/52/17/52/533521752.db2.gz BYOOIJRFPAANGL-FRFSOERESA-N 2 1 316.424 2.396 20 30 DEEDMP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000112560276 401749567 /nfs/dbraw/zinc/74/95/67/401749567.db2.gz GRTMMYVSGUPEPS-NUJGCVRESA-N 2 1 318.465 2.251 20 30 DEEDMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000248837245 402610437 /nfs/dbraw/zinc/61/04/37/402610437.db2.gz NEIVTSZYCVXKRZ-AYOQOUSVSA-N 2 1 313.445 2.425 20 30 DEEDMP C=CCOCCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348047935 404022747 /nfs/dbraw/zinc/02/27/47/404022747.db2.gz LWQGGYRAOGDSSJ-CALCHBBNSA-N 2 1 310.482 2.400 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143875 405020977 /nfs/dbraw/zinc/02/09/77/405020977.db2.gz GSQCUWJCJNYSAU-IXDOHACOSA-N 2 1 320.481 2.121 20 30 DEEDMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2C1 ZINC000424157517 405025212 /nfs/dbraw/zinc/02/52/12/405025212.db2.gz PRMQZEVYVLQCQO-HNNXBMFYSA-N 2 1 300.406 2.372 20 30 DEEDMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2C1 ZINC000424157517 405025215 /nfs/dbraw/zinc/02/52/15/405025215.db2.gz PRMQZEVYVLQCQO-HNNXBMFYSA-N 2 1 300.406 2.372 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429683120 405443498 /nfs/dbraw/zinc/44/34/98/405443498.db2.gz PSYDENCOOPFJLZ-MHORFTMASA-N 2 1 304.482 2.169 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429683120 405443501 /nfs/dbraw/zinc/44/35/01/405443501.db2.gz PSYDENCOOPFJLZ-MHORFTMASA-N 2 1 304.482 2.169 20 30 DEEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421329073 405464854 /nfs/dbraw/zinc/46/48/54/405464854.db2.gz UOCPVAAPYIAUAB-UHFFFAOYSA-N 2 1 318.440 2.061 20 30 DEEDMP C=CCN(CCc1ccccc1)Cc1nc(C(C)(C)N)no1 ZINC000431103606 405577933 /nfs/dbraw/zinc/57/79/33/405577933.db2.gz YLEDFOKAPKICLK-UHFFFAOYSA-N 2 1 300.406 2.494 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000567492749 406096588 /nfs/dbraw/zinc/09/65/88/406096588.db2.gz QIZWAFBJNYPGQS-UHFFFAOYSA-N 2 1 316.449 2.349 20 30 DEEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000489424614 406404784 /nfs/dbraw/zinc/40/47/84/406404784.db2.gz KJSRYCRTWXDQGQ-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000489424614 406404789 /nfs/dbraw/zinc/40/47/89/406404789.db2.gz KJSRYCRTWXDQGQ-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000490574286 406471547 /nfs/dbraw/zinc/47/15/47/406471547.db2.gz NFSGPUVSKGCMRL-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638570 407157476 /nfs/dbraw/zinc/15/74/76/407157476.db2.gz RVTHFWSQAOKLPG-FHWLQOOXSA-N 2 1 318.461 2.050 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638570 407157478 /nfs/dbraw/zinc/15/74/78/407157478.db2.gz RVTHFWSQAOKLPG-FHWLQOOXSA-N 2 1 318.461 2.050 20 30 DEEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000195291608 225201800 /nfs/dbraw/zinc/20/18/00/225201800.db2.gz SJZDZRFBCUHAGD-QGZVFWFLSA-N 2 1 300.450 2.309 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)N1 ZINC000262628011 225279570 /nfs/dbraw/zinc/27/95/70/225279570.db2.gz DXHWMFQSWIZYGT-LSDHHAIUSA-N 2 1 300.450 2.356 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCC(C)C)cc1F ZINC000264073552 225300903 /nfs/dbraw/zinc/30/09/03/225300903.db2.gz DVNPCJBYQALKJR-UHFFFAOYSA-N 2 1 303.385 2.380 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC000648782401 424905178 /nfs/dbraw/zinc/90/51/78/424905178.db2.gz GHJGYPCYSUXJTJ-BRWVUGGUSA-N 2 1 307.482 2.141 20 30 DEEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352374239 425045456 /nfs/dbraw/zinc/04/54/56/425045456.db2.gz ZCRQWOZTKPBOQP-UHFFFAOYSA-N 2 1 315.465 2.919 20 30 DEEDMP C=CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379144 425394171 /nfs/dbraw/zinc/39/41/71/425394171.db2.gz USNBBHSSGYBYTE-HNNXBMFYSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657884361 425413529 /nfs/dbraw/zinc/41/35/29/425413529.db2.gz RQAGEKXQXCSMSD-QRVBRYPASA-N 2 1 321.509 2.117 20 30 DEEDMP C=CC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662682512 425711820 /nfs/dbraw/zinc/71/18/20/425711820.db2.gz INNLBQAWEXXBEA-FUHWJXTLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCCNc2ccc(C)c[nH+]2)CCC[NH2+]1 ZINC000662736783 425725607 /nfs/dbraw/zinc/72/56/07/425725607.db2.gz ULRKNJHLGQMYBH-KRWDZBQOSA-N 2 1 302.422 2.007 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001329761027 1148989835 /nfs/dbraw/zinc/98/98/35/1148989835.db2.gz KFRGDOKNKIYMHQ-KRWDZBQOSA-N 2 1 323.525 2.450 20 30 DEEDMP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000562985378 333010771 /nfs/dbraw/zinc/01/07/71/333010771.db2.gz QHNCSICQPVQJEY-MRXNPFEDSA-N 2 1 300.406 2.160 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000177872804 337160875 /nfs/dbraw/zinc/16/08/75/337160875.db2.gz YBMYOPIPJPBRQN-MRXNPFEDSA-N 2 1 322.497 2.010 20 30 DEEDMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1 ZINC001329953563 1149022084 /nfs/dbraw/zinc/02/20/84/1149022084.db2.gz OGMORTOXRSBWBY-INIZCTEOSA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001330020931 1149035221 /nfs/dbraw/zinc/03/52/21/1149035221.db2.gz JUCWJGXNJRZDEZ-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001442335369 1182424361 /nfs/dbraw/zinc/42/43/61/1182424361.db2.gz GNUIYKUCSMOLST-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(C#N)cc2OC)CC1 ZINC000157470274 521562786 /nfs/dbraw/zinc/56/27/86/521562786.db2.gz TVISLWHIFQYGEN-UHFFFAOYSA-N 2 1 317.433 2.362 20 30 DEEDMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(C#N)cc2OC)CC1 ZINC000157470274 521562792 /nfs/dbraw/zinc/56/27/92/521562792.db2.gz TVISLWHIFQYGEN-UHFFFAOYSA-N 2 1 317.433 2.362 20 30 DEEDMP C=CCNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000374008408 526521602 /nfs/dbraw/zinc/52/16/02/526521602.db2.gz PSBREASBWSNDID-UHFFFAOYSA-N 2 1 321.494 2.217 20 30 DEEDMP CCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000104155166 528162148 /nfs/dbraw/zinc/16/21/48/528162148.db2.gz XREWHDGLPAWDEL-OAHLLOKOSA-N 2 1 304.438 2.146 20 30 DEEDMP CCCNc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000193062572 528563018 /nfs/dbraw/zinc/56/30/18/528563018.db2.gz YGEWTLVMKBXCDN-KRWDZBQOSA-N 2 1 317.481 2.397 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC(C)C ZINC000262567735 528816643 /nfs/dbraw/zinc/81/66/43/528816643.db2.gz MDOKEQAWRQDHFS-UHFFFAOYSA-N 2 1 300.410 2.039 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025725 529100582 /nfs/dbraw/zinc/10/05/82/529100582.db2.gz AORJJXLOLYARNL-OLZOCXBDSA-N 2 1 302.413 2.201 20 30 DEEDMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327499632 1148570823 /nfs/dbraw/zinc/57/08/23/1148570823.db2.gz KNRAAAOIYMFDRA-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465895 625281555 /nfs/dbraw/zinc/28/15/55/625281555.db2.gz ZAOWGCURVRMSAU-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267604 625314875 /nfs/dbraw/zinc/31/48/75/625314875.db2.gz QQGQMWSHJFCQEC-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294572 625329012 /nfs/dbraw/zinc/32/90/12/625329012.db2.gz KXLPSJPZLPOLIU-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294572 625329016 /nfs/dbraw/zinc/32/90/16/625329016.db2.gz KXLPSJPZLPOLIU-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707879 625395761 /nfs/dbraw/zinc/39/57/61/625395761.db2.gz YZSYIIHWJVMCRW-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707879 625395764 /nfs/dbraw/zinc/39/57/64/625395764.db2.gz YZSYIIHWJVMCRW-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707879 625395766 /nfs/dbraw/zinc/39/57/66/625395766.db2.gz YZSYIIHWJVMCRW-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001026400467 625414754 /nfs/dbraw/zinc/41/47/54/625414754.db2.gz KCEWMTPKGQBXSE-RRFJBIMHSA-N 2 1 316.449 2.090 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]12 ZINC001026400465 625415003 /nfs/dbraw/zinc/41/50/03/625415003.db2.gz KCEWMTPKGQBXSE-QLFBSQMISA-N 2 1 316.449 2.090 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007620463 625416052 /nfs/dbraw/zinc/41/60/52/625416052.db2.gz QOYYXNCVYAVVAR-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468320 625462199 /nfs/dbraw/zinc/46/21/99/625462199.db2.gz INZYKDSQECHNBM-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972699909 625465588 /nfs/dbraw/zinc/46/55/88/625465588.db2.gz BMMIQLNVCCSGOM-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472420 625466368 /nfs/dbraw/zinc/46/63/68/625466368.db2.gz QEFYINSZPDLCLL-GOEBONIOSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001026518403 625494189 /nfs/dbraw/zinc/49/41/89/625494189.db2.gz SYAPOAULAPYCNC-NFOMZHRRSA-N 2 1 316.449 2.026 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525723 625501728 /nfs/dbraw/zinc/50/17/28/625501728.db2.gz RLOZHOMZTPLFCS-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836355 622941675 /nfs/dbraw/zinc/94/16/75/622941675.db2.gz LYYWDZUFYJWSJM-MAUKXSAKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529846 623523530 /nfs/dbraw/zinc/52/35/30/623523530.db2.gz TYUQJLXHPBOUAU-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[C@@H]1CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000934459025 624882072 /nfs/dbraw/zinc/88/20/72/624882072.db2.gz AWDAZCDLBYIGPE-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023377084 625244424 /nfs/dbraw/zinc/24/44/24/625244424.db2.gz FEYDMKRZWIUVCL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023377084 625244427 /nfs/dbraw/zinc/24/44/27/625244427.db2.gz FEYDMKRZWIUVCL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023377084 625244431 /nfs/dbraw/zinc/24/44/31/625244431.db2.gz FEYDMKRZWIUVCL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695389 634450409 /nfs/dbraw/zinc/45/04/09/634450409.db2.gz SQMUPECFMRKVGN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001024576699 625900274 /nfs/dbraw/zinc/90/02/74/625900274.db2.gz YITCPXBQXMOOGJ-SFHVURJKSA-N 2 1 322.412 2.090 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995896385 633133753 /nfs/dbraw/zinc/13/37/53/633133753.db2.gz NGZCXSGZCXVDHT-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974736770 633281367 /nfs/dbraw/zinc/28/13/67/633281367.db2.gz QFZUOLAMRMMSPQ-INIZCTEOSA-N 2 1 310.401 2.026 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974736770 633281368 /nfs/dbraw/zinc/28/13/68/633281368.db2.gz QFZUOLAMRMMSPQ-INIZCTEOSA-N 2 1 310.401 2.026 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997368585 633719053 /nfs/dbraw/zinc/71/90/53/633719053.db2.gz HJMOJXSKKVCIKP-QGZVFWFLSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998188296 634163225 /nfs/dbraw/zinc/16/32/25/634163225.db2.gz JDXRLRFROQKIPQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998188296 634163226 /nfs/dbraw/zinc/16/32/26/634163226.db2.gz JDXRLRFROQKIPQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998188296 634163229 /nfs/dbraw/zinc/16/32/29/634163229.db2.gz JDXRLRFROQKIPQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978229544 634249450 /nfs/dbraw/zinc/24/94/50/634249450.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978229544 634249471 /nfs/dbraw/zinc/24/94/71/634249471.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978229544 634249483 /nfs/dbraw/zinc/24/94/83/634249483.db2.gz JODMXQIZKKLHHT-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602064 634255903 /nfs/dbraw/zinc/25/59/03/634255903.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602064 634255907 /nfs/dbraw/zinc/25/59/07/634255907.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602064 634255910 /nfs/dbraw/zinc/25/59/10/634255910.db2.gz KQGKXKMRRMCICJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628659 634334080 /nfs/dbraw/zinc/33/40/80/634334080.db2.gz HOWVTUUECPGNNF-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027877711 634846136 /nfs/dbraw/zinc/84/61/36/634846136.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027877711 634846138 /nfs/dbraw/zinc/84/61/38/634846138.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027877711 634846141 /nfs/dbraw/zinc/84/61/41/634846141.db2.gz ABTFLZQJRKIDRI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027877709 634846156 /nfs/dbraw/zinc/84/61/56/634846156.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027877709 634846159 /nfs/dbraw/zinc/84/61/59/634846159.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027877709 634846162 /nfs/dbraw/zinc/84/61/62/634846162.db2.gz ABTFLZQJRKIDRI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491726 635023014 /nfs/dbraw/zinc/02/30/14/635023014.db2.gz WHPBPMILCRIIEK-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491726 635023015 /nfs/dbraw/zinc/02/30/15/635023015.db2.gz WHPBPMILCRIIEK-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985572 635169071 /nfs/dbraw/zinc/16/90/71/635169071.db2.gz LEOVVMFMFJPQAB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985572 635169074 /nfs/dbraw/zinc/16/90/74/635169074.db2.gz LEOVVMFMFJPQAB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000766497 635289840 /nfs/dbraw/zinc/28/98/40/635289840.db2.gz GSXZQZABABWXMB-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000766497 635289841 /nfs/dbraw/zinc/28/98/41/635289841.db2.gz GSXZQZABABWXMB-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000766497 635289845 /nfs/dbraw/zinc/28/98/45/635289845.db2.gz GSXZQZABABWXMB-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338792 635444029 /nfs/dbraw/zinc/44/40/29/635444029.db2.gz ZSGUADPYIKIHHB-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088835 635457125 /nfs/dbraw/zinc/45/71/25/635457125.db2.gz QPWKOBZKWUDONJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088835 635457128 /nfs/dbraw/zinc/45/71/28/635457128.db2.gz QPWKOBZKWUDONJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088835 635457132 /nfs/dbraw/zinc/45/71/32/635457132.db2.gz QPWKOBZKWUDONJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001370155 635480280 /nfs/dbraw/zinc/48/02/80/635480280.db2.gz HLRDZZXZFNDAOK-IAGOWNOFSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001377866 635482348 /nfs/dbraw/zinc/48/23/48/635482348.db2.gz WPSOXTGPQDKAOG-UHFFFAOYSA-N 2 1 314.433 2.086 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438171 635483519 /nfs/dbraw/zinc/48/35/19/635483519.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438171 635483521 /nfs/dbraw/zinc/48/35/21/635483521.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438171 635483525 /nfs/dbraw/zinc/48/35/25/635483525.db2.gz KGVMEFNZMRLUIE-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295957 635953381 /nfs/dbraw/zinc/95/33/81/635953381.db2.gz HJXGDSDJBMHVEN-HDICACEKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003491760 635979556 /nfs/dbraw/zinc/97/95/56/635979556.db2.gz HFZCBEJZURINGI-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004462478 636460403 /nfs/dbraw/zinc/46/04/03/636460403.db2.gz DIFOTLFLMNTQHU-ROUUACIJSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595336 636475456 /nfs/dbraw/zinc/47/54/56/636475456.db2.gz XZFRGNACSZGVHW-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595336 636475457 /nfs/dbraw/zinc/47/54/57/636475457.db2.gz XZFRGNACSZGVHW-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831672 636495926 /nfs/dbraw/zinc/49/59/26/636495926.db2.gz PSTVTIFMMPLJOP-RWQQGDIJSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617125 636502962 /nfs/dbraw/zinc/50/29/62/636502962.db2.gz OSGXXQQAMBQQEW-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005496025 636751293 /nfs/dbraw/zinc/75/12/93/636751293.db2.gz IJUWBCOYIMRGSK-MRXNPFEDSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005590642 636792133 /nfs/dbraw/zinc/79/21/33/636792133.db2.gz BEECABHPZYKAKB-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)CN1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005994660 637052691 /nfs/dbraw/zinc/05/26/91/637052691.db2.gz GXROLPNUEXPBII-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005994660 637052695 /nfs/dbraw/zinc/05/26/95/637052695.db2.gz GXROLPNUEXPBII-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923347815 637125054 /nfs/dbraw/zinc/12/50/54/637125054.db2.gz XQGDHBJSLOZIDR-HUUCEWRRSA-N 2 1 321.490 2.414 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923347815 637125060 /nfs/dbraw/zinc/12/50/60/637125060.db2.gz XQGDHBJSLOZIDR-HUUCEWRRSA-N 2 1 321.490 2.414 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)cc1 ZINC000897621812 640872340 /nfs/dbraw/zinc/87/23/40/640872340.db2.gz VJOJKKAFOLTMBT-PKOBYXMFSA-N 2 1 312.461 2.420 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897621812 640872344 /nfs/dbraw/zinc/87/23/44/640872344.db2.gz VJOJKKAFOLTMBT-PKOBYXMFSA-N 2 1 312.461 2.420 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000897621812 640872347 /nfs/dbraw/zinc/87/23/47/640872347.db2.gz VJOJKKAFOLTMBT-PKOBYXMFSA-N 2 1 312.461 2.420 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483834 641121916 /nfs/dbraw/zinc/12/19/16/641121916.db2.gz YDAQYEVEEKNDKI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737736 641215093 /nfs/dbraw/zinc/21/50/93/641215093.db2.gz XPOPZPITCHJUCD-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900219302 642294203 /nfs/dbraw/zinc/29/42/03/642294203.db2.gz SKIIWFDOVMOGMU-IYBDPMFKSA-N 2 1 309.498 2.369 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477388 650749242 /nfs/dbraw/zinc/74/92/42/650749242.db2.gz SZBCTWNBZFASNF-IAGOWNOFSA-N 2 1 322.497 2.177 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901075657 642561188 /nfs/dbraw/zinc/56/11/88/642561188.db2.gz MNVMGVCFEZIFRR-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCCC[N@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000902669293 643109216 /nfs/dbraw/zinc/10/92/16/643109216.db2.gz JWGKNLKWVVOUDU-KRWDZBQOSA-N 2 1 307.438 2.149 20 30 DEEDMP C[NH+](C)Cc1ccc(C(N)=NOCC[C@H]2CCCC[N@H+]2C)cc1 ZINC000906503928 644274983 /nfs/dbraw/zinc/27/49/83/644274983.db2.gz YAWQDKYREYHGPK-QGZVFWFLSA-N 2 1 318.465 2.260 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000843803201 651031989 /nfs/dbraw/zinc/03/19/89/651031989.db2.gz JHXSYVWGJSRKSE-HNNXBMFYSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829234 646695823 /nfs/dbraw/zinc/69/58/23/646695823.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829234 646695825 /nfs/dbraw/zinc/69/58/25/646695825.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829234 646695828 /nfs/dbraw/zinc/69/58/28/646695828.db2.gz HHTMKRYVUXVZNB-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992118584 646859219 /nfs/dbraw/zinc/85/92/19/646859219.db2.gz OBUXRIDAXLPCSM-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992118584 646859221 /nfs/dbraw/zinc/85/92/21/646859221.db2.gz OBUXRIDAXLPCSM-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992118584 646859224 /nfs/dbraw/zinc/85/92/24/646859224.db2.gz OBUXRIDAXLPCSM-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992118584 646859227 /nfs/dbraw/zinc/85/92/27/646859227.db2.gz OBUXRIDAXLPCSM-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145248 646871355 /nfs/dbraw/zinc/87/13/55/646871355.db2.gz PRRIQBWLCPGVQU-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169352 646882618 /nfs/dbraw/zinc/88/26/18/646882618.db2.gz QPADAFCNQRKGKE-CRAIPNDOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169352 646882624 /nfs/dbraw/zinc/88/26/24/646882624.db2.gz QPADAFCNQRKGKE-CRAIPNDOSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000732136542 647544462 /nfs/dbraw/zinc/54/44/62/647544462.db2.gz PWZXTDLKBZRGEN-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819024820 647566527 /nfs/dbraw/zinc/56/65/27/647566527.db2.gz WGGNJYYHKNQYQF-KRWDZBQOSA-N 2 1 319.405 2.258 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993532560 647691544 /nfs/dbraw/zinc/69/15/44/647691544.db2.gz VBLRRZPMZAUXSG-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134670 647791549 /nfs/dbraw/zinc/79/15/49/647791549.db2.gz PORDLELOVZQWKD-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745658 648933242 /nfs/dbraw/zinc/93/32/42/648933242.db2.gz RUCYIEDMEORQOY-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801218 648944673 /nfs/dbraw/zinc/94/46/73/648944673.db2.gz PWSORNXQCJGVPR-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801218 648944680 /nfs/dbraw/zinc/94/46/80/648944680.db2.gz PWSORNXQCJGVPR-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853239 648960001 /nfs/dbraw/zinc/96/00/01/648960001.db2.gz OTPKETFULQWLIS-KRWDZBQOSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940991933 648983110 /nfs/dbraw/zinc/98/31/10/648983110.db2.gz UCIIWVVGKQVTGF-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941076279 648995373 /nfs/dbraw/zinc/99/53/73/648995373.db2.gz VIOWICYQXCATQZ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076279 648995377 /nfs/dbraw/zinc/99/53/77/648995377.db2.gz VIOWICYQXCATQZ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076279 648995380 /nfs/dbraw/zinc/99/53/80/648995380.db2.gz VIOWICYQXCATQZ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167359 649013958 /nfs/dbraw/zinc/01/39/58/649013958.db2.gz VAHMJCNBQRUPIM-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236957 649028022 /nfs/dbraw/zinc/02/80/22/649028022.db2.gz DLFAPPQAFPOEQT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236957 649028025 /nfs/dbraw/zinc/02/80/25/649028025.db2.gz DLFAPPQAFPOEQT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236957 649028027 /nfs/dbraw/zinc/02/80/27/649028027.db2.gz DLFAPPQAFPOEQT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237864 649028618 /nfs/dbraw/zinc/02/86/18/649028618.db2.gz RRGPXZBVWXJXRT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237864 649028620 /nfs/dbraw/zinc/02/86/20/649028620.db2.gz RRGPXZBVWXJXRT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237864 649028621 /nfs/dbraw/zinc/02/86/21/649028621.db2.gz RRGPXZBVWXJXRT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517946 649231477 /nfs/dbraw/zinc/23/14/77/649231477.db2.gz JMAUFTUPSNAWNV-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000846892301 651359792 /nfs/dbraw/zinc/35/97/92/651359792.db2.gz SNRZJXMYILNKQB-UHFFFAOYSA-N 2 1 303.454 2.162 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)nn1 ZINC000846892301 651359793 /nfs/dbraw/zinc/35/97/93/651359793.db2.gz SNRZJXMYILNKQB-UHFFFAOYSA-N 2 1 303.454 2.162 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001373291138 1156938600 /nfs/dbraw/zinc/93/86/00/1156938600.db2.gz QMYGVKIACZBZNA-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001373291138 1156938612 /nfs/dbraw/zinc/93/86/12/1156938612.db2.gz QMYGVKIACZBZNA-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746577 685258920 /nfs/dbraw/zinc/25/89/20/685258920.db2.gz FXNAVVWYTUXSJC-AWEZNQCLSA-N 2 1 324.856 2.237 20 30 DEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304745544 685259005 /nfs/dbraw/zinc/25/90/05/685259005.db2.gz FFFFUKRVUAWWSS-ZDUSSCGKSA-N 2 1 320.437 2.305 20 30 DEEDMP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)c1 ZINC000304762534 685261282 /nfs/dbraw/zinc/26/12/82/685261282.db2.gz VTNRAYGXNPYYLB-UHFFFAOYSA-N 2 1 320.437 2.305 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104153998 684058388 /nfs/dbraw/zinc/05/83/88/684058388.db2.gz XVCGZEBVPGZWIO-CQSZACIVSA-N 2 1 318.421 2.059 20 30 DEEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129313558 684177817 /nfs/dbraw/zinc/17/78/17/684177817.db2.gz IZOODUPQXZDQRL-GXFFZTMASA-N 2 1 321.494 2.050 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054238932 693895340 /nfs/dbraw/zinc/89/53/40/693895340.db2.gz BZMUJWNQBXYFJW-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054238932 693895345 /nfs/dbraw/zinc/89/53/45/693895345.db2.gz BZMUJWNQBXYFJW-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054238932 693895349 /nfs/dbraw/zinc/89/53/49/693895349.db2.gz BZMUJWNQBXYFJW-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241217 693895850 /nfs/dbraw/zinc/89/58/50/693895850.db2.gz NHHKAXNNQBAYJE-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241217 693895856 /nfs/dbraw/zinc/89/58/56/693895856.db2.gz NHHKAXNNQBAYJE-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP CC(C)NC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262532809 685200890 /nfs/dbraw/zinc/20/08/90/685200890.db2.gz OLTALEZNQUDXRM-UHFFFAOYSA-N 2 1 310.486 2.113 20 30 DEEDMP CC(C)NC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262532809 685200894 /nfs/dbraw/zinc/20/08/94/685200894.db2.gz OLTALEZNQUDXRM-UHFFFAOYSA-N 2 1 310.486 2.113 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303893989 685238958 /nfs/dbraw/zinc/23/89/58/685238958.db2.gz SHIWHQGSCNHTIF-AWEZNQCLSA-N 2 1 300.450 2.138 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCC1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000303893989 685238961 /nfs/dbraw/zinc/23/89/61/685238961.db2.gz SHIWHQGSCNHTIF-AWEZNQCLSA-N 2 1 300.450 2.138 20 30 DEEDMP CCOCCCNC(=[NH2+])NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303911606 685239830 /nfs/dbraw/zinc/23/98/30/685239830.db2.gz ZSZVXIYKSXUACJ-IYBDPMFKSA-N 2 1 312.502 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858315 687442354 /nfs/dbraw/zinc/44/23/54/687442354.db2.gz NKKMAYDRCAUMRX-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970688 687485290 /nfs/dbraw/zinc/48/52/90/687485290.db2.gz QPTULGZWMDDIPA-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630928 687669440 /nfs/dbraw/zinc/66/94/40/687669440.db2.gz LLBGXANLRGJLEO-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828056 687711949 /nfs/dbraw/zinc/71/19/49/687711949.db2.gz CEQUQWMCRYYUDY-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016982866 687749687 /nfs/dbraw/zinc/74/96/87/687749687.db2.gz MQZFBOCCOJGWIV-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611712 687924580 /nfs/dbraw/zinc/92/45/80/687924580.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611712 687924583 /nfs/dbraw/zinc/92/45/83/687924583.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611712 687924588 /nfs/dbraw/zinc/92/45/88/687924588.db2.gz VYAJZCWPYXIWJI-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001017618464 687926163 /nfs/dbraw/zinc/92/61/63/687926163.db2.gz DKUAYAWQIFLHGP-CALCHBBNSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017618464 687926167 /nfs/dbraw/zinc/92/61/67/687926167.db2.gz DKUAYAWQIFLHGP-CALCHBBNSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017618464 687926173 /nfs/dbraw/zinc/92/61/73/687926173.db2.gz DKUAYAWQIFLHGP-CALCHBBNSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658558 687933965 /nfs/dbraw/zinc/93/39/65/687933965.db2.gz HHJFKSPEQFAAPH-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658558 687933969 /nfs/dbraw/zinc/93/39/69/687933969.db2.gz HHJFKSPEQFAAPH-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017658558 687933973 /nfs/dbraw/zinc/93/39/73/687933973.db2.gz HHJFKSPEQFAAPH-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017658558 687933976 /nfs/dbraw/zinc/93/39/76/687933976.db2.gz HHJFKSPEQFAAPH-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018301412 688104671 /nfs/dbraw/zinc/10/46/71/688104671.db2.gz RAYCRXUXYFATDP-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018301412 688104676 /nfs/dbraw/zinc/10/46/76/688104676.db2.gz RAYCRXUXYFATDP-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018301412 688104681 /nfs/dbraw/zinc/10/46/81/688104681.db2.gz RAYCRXUXYFATDP-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018301412 688104685 /nfs/dbraw/zinc/10/46/85/688104685.db2.gz RAYCRXUXYFATDP-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433022 688917012 /nfs/dbraw/zinc/91/70/12/688917012.db2.gz CCDWACANMJOFJT-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031767275 688992936 /nfs/dbraw/zinc/99/29/36/688992936.db2.gz UXLHXGCAEUUYBW-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033083707 689381572 /nfs/dbraw/zinc/38/15/72/689381572.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033083707 689381577 /nfs/dbraw/zinc/38/15/77/689381577.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033083707 689381582 /nfs/dbraw/zinc/38/15/82/689381582.db2.gz WZNWSRDGFGNYRY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475765 689514475 /nfs/dbraw/zinc/51/44/75/689514475.db2.gz RGOLXRRFOIEDFX-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573976 689547582 /nfs/dbraw/zinc/54/75/82/689547582.db2.gz KYOJIQWKOHUVEY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573976 689547583 /nfs/dbraw/zinc/54/75/83/689547583.db2.gz KYOJIQWKOHUVEY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573976 689547585 /nfs/dbraw/zinc/54/75/85/689547585.db2.gz KYOJIQWKOHUVEY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573976 689547587 /nfs/dbraw/zinc/54/75/87/689547587.db2.gz KYOJIQWKOHUVEY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855205 689639912 /nfs/dbraw/zinc/63/99/12/689639912.db2.gz HVCTWQVXPVWUNQ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855205 689639913 /nfs/dbraw/zinc/63/99/13/689639913.db2.gz HVCTWQVXPVWUNQ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855297 689640901 /nfs/dbraw/zinc/64/09/01/689640901.db2.gz JHMGWUHIDYUBFW-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855297 689640905 /nfs/dbraw/zinc/64/09/05/689640905.db2.gz JHMGWUHIDYUBFW-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855297 689640907 /nfs/dbraw/zinc/64/09/07/689640907.db2.gz JHMGWUHIDYUBFW-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033883809 689650088 /nfs/dbraw/zinc/65/00/88/689650088.db2.gz UABODQNIGNHSLC-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938356 689668394 /nfs/dbraw/zinc/66/83/94/689668394.db2.gz VWXOSMZLGKAZSN-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033938356 689668395 /nfs/dbraw/zinc/66/83/95/689668395.db2.gz VWXOSMZLGKAZSN-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033938356 689668398 /nfs/dbraw/zinc/66/83/98/689668398.db2.gz VWXOSMZLGKAZSN-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642530 689917175 /nfs/dbraw/zinc/91/71/75/689917175.db2.gz GPEUMMBOOMMYOJ-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001034775410 689945459 /nfs/dbraw/zinc/94/54/59/689945459.db2.gz OEEFCYCMWXUUAJ-KZNAEPCWSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035226958 690067223 /nfs/dbraw/zinc/06/72/23/690067223.db2.gz PDWFWDHFCBDZMU-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036832479 690492257 /nfs/dbraw/zinc/49/22/57/690492257.db2.gz CFXXDJUAVGOJIW-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904367 690522699 /nfs/dbraw/zinc/52/26/99/690522699.db2.gz QXBBLXQHBNTIFL-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134004 691030287 /nfs/dbraw/zinc/03/02/87/691030287.db2.gz NQYUESBPMABGIB-MSOLQXFVSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159427 691035167 /nfs/dbraw/zinc/03/51/67/691035167.db2.gz NGYKCYSGTBCILK-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039216240 691057708 /nfs/dbraw/zinc/05/77/08/691057708.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216240 691057710 /nfs/dbraw/zinc/05/77/10/691057710.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216240 691057711 /nfs/dbraw/zinc/05/77/11/691057711.db2.gz ZATXDFKPFSPTJO-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239649 691064538 /nfs/dbraw/zinc/06/45/38/691064538.db2.gz UGUJNJGEXCJVCL-NVXWUHKLSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039393824 691096379 /nfs/dbraw/zinc/09/63/79/691096379.db2.gz JRCVJKKEACQYIZ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039393824 691096382 /nfs/dbraw/zinc/09/63/82/691096382.db2.gz JRCVJKKEACQYIZ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039393824 691096383 /nfs/dbraw/zinc/09/63/83/691096383.db2.gz JRCVJKKEACQYIZ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470551 691113736 /nfs/dbraw/zinc/11/37/36/691113736.db2.gz HAVJZHOXLAQHJW-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470551 691113738 /nfs/dbraw/zinc/11/37/38/691113738.db2.gz HAVJZHOXLAQHJW-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354031 691234498 /nfs/dbraw/zinc/23/44/98/691234498.db2.gz LEMLIVICYFCOEM-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354031 691234501 /nfs/dbraw/zinc/23/45/01/691234501.db2.gz LEMLIVICYFCOEM-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354031 691234504 /nfs/dbraw/zinc/23/45/04/691234504.db2.gz LEMLIVICYFCOEM-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132273 691516692 /nfs/dbraw/zinc/51/66/92/691516692.db2.gz APOPJTAOKHFUBS-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885973666 691974934 /nfs/dbraw/zinc/97/49/34/691974934.db2.gz XTKFGZPNYZBSJG-QGZVFWFLSA-N 2 1 308.466 2.345 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438275 691981327 /nfs/dbraw/zinc/98/13/27/691981327.db2.gz NFJASTJWJKQCOB-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000886264020 692038878 /nfs/dbraw/zinc/03/88/78/692038878.db2.gz MUFMAQYXNKPSHR-KRWDZBQOSA-N 2 1 314.433 2.039 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000887132723 692287499 /nfs/dbraw/zinc/28/74/99/692287499.db2.gz LRORCSDIJAAYKI-KXBFYZLASA-N 2 1 322.412 2.197 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048913499 692720878 /nfs/dbraw/zinc/72/08/78/692720878.db2.gz FQEWBZYFXXGVRP-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913499 692720881 /nfs/dbraw/zinc/72/08/81/692720881.db2.gz FQEWBZYFXXGVRP-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913499 692720884 /nfs/dbraw/zinc/72/08/84/692720884.db2.gz FQEWBZYFXXGVRP-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232367 692795796 /nfs/dbraw/zinc/79/57/96/692795796.db2.gz UEQUERMTDORLHC-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049525441 692912217 /nfs/dbraw/zinc/91/22/17/692912217.db2.gz QOMJHTMNRNHCIP-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713552 692973071 /nfs/dbraw/zinc/97/30/71/692973071.db2.gz ZGXFRJNHUXBAJC-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898044 693040253 /nfs/dbraw/zinc/04/02/53/693040253.db2.gz WKXDIHXWFWGHFR-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047278 693091611 /nfs/dbraw/zinc/09/16/11/693091611.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047278 693091614 /nfs/dbraw/zinc/09/16/14/693091614.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047278 693091616 /nfs/dbraw/zinc/09/16/16/693091616.db2.gz VKAKOQHDVNABGD-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050076136 693101614 /nfs/dbraw/zinc/10/16/14/693101614.db2.gz UMNYTKKIPOJKJS-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686866 693232245 /nfs/dbraw/zinc/23/22/45/693232245.db2.gz FNLMVVUQODQCDD-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP N#Cc1ccccc1CSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925620973 693309884 /nfs/dbraw/zinc/30/98/84/693309884.db2.gz IZUXSDUTNOPWAF-IGKNDFSCSA-N 2 1 313.470 2.377 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444609 693536580 /nfs/dbraw/zinc/53/65/80/693536580.db2.gz GSEDQDOISGBPAX-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444609 693536585 /nfs/dbraw/zinc/53/65/85/693536585.db2.gz GSEDQDOISGBPAX-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444609 693536590 /nfs/dbraw/zinc/53/65/90/693536590.db2.gz GSEDQDOISGBPAX-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592780 693574333 /nfs/dbraw/zinc/57/43/33/693574333.db2.gz YUYUEWFSSPOWOS-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052679723 693594351 /nfs/dbraw/zinc/59/43/51/693594351.db2.gz BGKNXJTUPHTUIR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052712521 693600598 /nfs/dbraw/zinc/60/05/98/693600598.db2.gz JPNGEHSCSGJQBQ-HIFRSBDPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712521 693600601 /nfs/dbraw/zinc/60/06/01/693600601.db2.gz JPNGEHSCSGJQBQ-HIFRSBDPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712521 693600604 /nfs/dbraw/zinc/60/06/04/693600604.db2.gz JPNGEHSCSGJQBQ-HIFRSBDPSA-N 2 1 313.873 2.051 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756882 693612284 /nfs/dbraw/zinc/61/22/84/693612284.db2.gz IZMQROGORVLZEO-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756882 693612286 /nfs/dbraw/zinc/61/22/86/693612286.db2.gz IZMQROGORVLZEO-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820418 693625278 /nfs/dbraw/zinc/62/52/78/693625278.db2.gz QDGZTUOSYWXVFT-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405781 1151855802 /nfs/dbraw/zinc/85/58/02/1151855802.db2.gz MKKDUBXVQWLOGN-HTWSVDAQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373291138 1156938588 /nfs/dbraw/zinc/93/85/88/1156938588.db2.gz QMYGVKIACZBZNA-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001394510712 1158600342 /nfs/dbraw/zinc/60/03/42/1158600342.db2.gz MOSKBBBSHWJUPD-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001397120477 1160001807 /nfs/dbraw/zinc/00/18/07/1160001807.db2.gz GRXLFAKUWXWUFQ-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001397728647 1160424242 /nfs/dbraw/zinc/42/42/42/1160424242.db2.gz DTTAURAEGLPGPE-DOMZBBRYSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001399389219 1161374909 /nfs/dbraw/zinc/37/49/09/1161374909.db2.gz MNDXXEMVUJQPHQ-GJZGRUSLSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001419726901 1168822619 /nfs/dbraw/zinc/82/26/19/1168822619.db2.gz JGGHONFMKBRDEI-ZDUSSCGKSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001422137151 1172333313 /nfs/dbraw/zinc/33/33/13/1172333313.db2.gz VYGAAPKVXXXKOP-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001422137151 1172333317 /nfs/dbraw/zinc/33/33/17/1172333317.db2.gz VYGAAPKVXXXKOP-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001422137151 1172333323 /nfs/dbraw/zinc/33/33/23/1172333323.db2.gz VYGAAPKVXXXKOP-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001422137151 1172333325 /nfs/dbraw/zinc/33/33/25/1172333325.db2.gz VYGAAPKVXXXKOP-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001422577612 1172724417 /nfs/dbraw/zinc/72/44/17/1172724417.db2.gz ZXCKXXCWLORFHC-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001423327154 1173241728 /nfs/dbraw/zinc/24/17/28/1173241728.db2.gz RXEJFPLCFRUOGV-UONOGXRCSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001436760669 1179222350 /nfs/dbraw/zinc/22/23/50/1179222350.db2.gz GSQJRVXRZDDGFI-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001438699128 1180772448 /nfs/dbraw/zinc/77/24/48/1180772448.db2.gz YDEULYXWMYXCHV-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001440430131 1181509753 /nfs/dbraw/zinc/50/97/53/1181509753.db2.gz FFGNSSUEFWJOQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001440430131 1181509770 /nfs/dbraw/zinc/50/97/70/1181509770.db2.gz FFGNSSUEFWJOQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001442215211 1182371686 /nfs/dbraw/zinc/37/16/86/1182371686.db2.gz BGFNFEFUIATMSK-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001442215211 1182371694 /nfs/dbraw/zinc/37/16/94/1182371694.db2.gz BGFNFEFUIATMSK-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446667388 1184485965 /nfs/dbraw/zinc/48/59/65/1184485965.db2.gz SHZHRZIHZBLPNH-GOEBONIOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446667388 1184485969 /nfs/dbraw/zinc/48/59/69/1184485969.db2.gz SHZHRZIHZBLPNH-GOEBONIOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001446667388 1184485976 /nfs/dbraw/zinc/48/59/76/1184485976.db2.gz SHZHRZIHZBLPNH-GOEBONIOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001446667388 1184485981 /nfs/dbraw/zinc/48/59/81/1184485981.db2.gz SHZHRZIHZBLPNH-GOEBONIOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001447541164 1184805305 /nfs/dbraw/zinc/80/53/05/1184805305.db2.gz OMEKBESDRLRYHT-DOMZBBRYSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001447792281 1184876586 /nfs/dbraw/zinc/87/65/86/1184876586.db2.gz IEENMZBJNKLTJQ-YMAMQOFZSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370755736 1149832398 /nfs/dbraw/zinc/83/23/98/1149832398.db2.gz UEQMAYWCSVMURH-GJZGRUSLSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370755736 1149832399 /nfs/dbraw/zinc/83/23/99/1149832399.db2.gz UEQMAYWCSVMURH-GJZGRUSLSA-N 2 1 315.889 2.153 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC001333360109 1150039562 /nfs/dbraw/zinc/03/95/62/1150039562.db2.gz IKBKGLLQSLOZDS-YJBOKZPZSA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC001333360109 1150039566 /nfs/dbraw/zinc/03/95/66/1150039566.db2.gz IKBKGLLQSLOZDS-YJBOKZPZSA-N 2 1 316.449 2.180 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309892 783041294 /nfs/dbraw/zinc/04/12/94/783041294.db2.gz GQCZLRNREZWWRG-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437321 783135811 /nfs/dbraw/zinc/13/58/11/783135811.db2.gz QNYTWYUVRORXOV-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159807 /nfs/dbraw/zinc/15/98/07/783159807.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159815 /nfs/dbraw/zinc/15/98/15/783159815.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493149 783159819 /nfs/dbraw/zinc/15/98/19/783159819.db2.gz UOAWKFUXKXMXBM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077127 790437824 /nfs/dbraw/zinc/43/78/24/790437824.db2.gz HFDIVVUSHUJBLJ-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317392 777781087 /nfs/dbraw/zinc/78/10/87/777781087.db2.gz HKHSXODSMATMTK-NXHRZFHOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676376 778015363 /nfs/dbraw/zinc/01/53/63/778015363.db2.gz HHQCWYOJDCWZGO-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873673 778225441 /nfs/dbraw/zinc/22/54/41/778225441.db2.gz FBNUVNPVCVGJKE-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696903 779414980 /nfs/dbraw/zinc/41/49/80/779414980.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696903 779414982 /nfs/dbraw/zinc/41/49/82/779414982.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696903 779414984 /nfs/dbraw/zinc/41/49/84/779414984.db2.gz RWNXADOPUCBUQH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088022838 779641529 /nfs/dbraw/zinc/64/15/29/779641529.db2.gz BEVBIBRJOOHGKN-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088022838 779641537 /nfs/dbraw/zinc/64/15/37/779641537.db2.gz BEVBIBRJOOHGKN-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088022838 779641547 /nfs/dbraw/zinc/64/15/47/779641547.db2.gz BEVBIBRJOOHGKN-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170480 779746791 /nfs/dbraw/zinc/74/67/91/779746791.db2.gz STPHSVISEYTJCU-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170480 779746798 /nfs/dbraw/zinc/74/67/98/779746798.db2.gz STPHSVISEYTJCU-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170480 779746807 /nfs/dbraw/zinc/74/68/07/779746807.db2.gz STPHSVISEYTJCU-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559111 779909557 /nfs/dbraw/zinc/90/95/57/779909557.db2.gz QLKZGLVLVYXAQI-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518093 780731098 /nfs/dbraw/zinc/73/10/98/780731098.db2.gz QMFHMVUTAVVLGU-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101036589 780957376 /nfs/dbraw/zinc/95/73/76/780957376.db2.gz UMAHSULSPGUCEM-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994972 780978971 /nfs/dbraw/zinc/97/89/71/780978971.db2.gz SFZGANKBSQWPGL-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068640 790889648 /nfs/dbraw/zinc/88/96/48/790889648.db2.gz XQVBTNHAVUMSPL-HTWSVDAQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642054 783314378 /nfs/dbraw/zinc/31/43/78/783314378.db2.gz AELAIWMFSXXULP-OWCLPIDISA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001089652965 783325115 /nfs/dbraw/zinc/32/51/15/783325115.db2.gz MLCWLCISAPSVTR-RRFJBIMHSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001089652965 783325124 /nfs/dbraw/zinc/32/51/24/783325124.db2.gz MLCWLCISAPSVTR-RRFJBIMHSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439516 783466517 /nfs/dbraw/zinc/46/65/17/783466517.db2.gz QWBYEMYQXONFIU-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439516 783466524 /nfs/dbraw/zinc/46/65/24/783466524.db2.gz QWBYEMYQXONFIU-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948448898 783470814 /nfs/dbraw/zinc/47/08/14/783470814.db2.gz KCPGYEOMUHKRLL-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948448898 783470818 /nfs/dbraw/zinc/47/08/18/783470818.db2.gz KCPGYEOMUHKRLL-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948448898 783470821 /nfs/dbraw/zinc/47/08/21/783470821.db2.gz KCPGYEOMUHKRLL-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000948448898 783470825 /nfs/dbraw/zinc/47/08/25/783470825.db2.gz KCPGYEOMUHKRLL-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208220 783905412 /nfs/dbraw/zinc/90/54/12/783905412.db2.gz RNZCHWDPLJQTPJ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639223 783915038 /nfs/dbraw/zinc/91/50/38/783915038.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639223 783915040 /nfs/dbraw/zinc/91/50/40/783915040.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639223 783915043 /nfs/dbraw/zinc/91/50/43/783915043.db2.gz KVEIOCANFYTRJC-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687428 783966529 /nfs/dbraw/zinc/96/65/29/783966529.db2.gz OSQJHSMGRBNRJY-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687428 783966537 /nfs/dbraw/zinc/96/65/37/783966537.db2.gz OSQJHSMGRBNRJY-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687428 783966544 /nfs/dbraw/zinc/96/65/44/783966544.db2.gz OSQJHSMGRBNRJY-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687428 783966549 /nfs/dbraw/zinc/96/65/49/783966549.db2.gz OSQJHSMGRBNRJY-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709217 784098923 /nfs/dbraw/zinc/09/89/23/784098923.db2.gz XLRTXYWQDJOUKK-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331717 784294688 /nfs/dbraw/zinc/29/46/88/784294688.db2.gz QFTMVMJUNFQPSB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199385 791016540 /nfs/dbraw/zinc/01/65/40/791016540.db2.gz MNKROHHBLPGNLN-LEOMRAHMSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001086119657 784419829 /nfs/dbraw/zinc/41/98/29/784419829.db2.gz VZFDREUMDXKIFS-VVLHAWIVSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500171 784936548 /nfs/dbraw/zinc/93/65/48/784936548.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500171 784936554 /nfs/dbraw/zinc/93/65/54/784936554.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500171 784936562 /nfs/dbraw/zinc/93/65/62/784936562.db2.gz RAQBTQKNKWTSIP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318880 791087298 /nfs/dbraw/zinc/08/72/98/791087298.db2.gz UBLUNQMGSMGFON-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717767 785503449 /nfs/dbraw/zinc/50/34/49/785503449.db2.gz UPSGSERXDCWYNU-XHSDSOJGSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108830236 785557985 /nfs/dbraw/zinc/55/79/85/785557985.db2.gz GQSNMGFBOUYVBE-BBWFWOEESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858150 786087035 /nfs/dbraw/zinc/08/70/35/786087035.db2.gz WRLWGTIHJMRABG-QZWWFDLISA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016598 786128026 /nfs/dbraw/zinc/12/80/26/786128026.db2.gz WDAPJCQEGMBXEA-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016598 786128030 /nfs/dbraw/zinc/12/80/30/786128030.db2.gz WDAPJCQEGMBXEA-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016598 786128034 /nfs/dbraw/zinc/12/80/34/786128034.db2.gz WDAPJCQEGMBXEA-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014698858 786712285 /nfs/dbraw/zinc/71/22/85/786712285.db2.gz BLAWVBGPOPOTSR-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698858 786712293 /nfs/dbraw/zinc/71/22/93/786712293.db2.gz BLAWVBGPOPOTSR-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698858 786712296 /nfs/dbraw/zinc/71/22/96/786712296.db2.gz BLAWVBGPOPOTSR-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320854 787438193 /nfs/dbraw/zinc/43/81/93/787438193.db2.gz VRWNMNQBHCTJBZ-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096102597 787504880 /nfs/dbraw/zinc/50/48/80/787504880.db2.gz AFTLIMZVARTNDE-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096102597 787504891 /nfs/dbraw/zinc/50/48/91/787504891.db2.gz AFTLIMZVARTNDE-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096102597 787504901 /nfs/dbraw/zinc/50/49/01/787504901.db2.gz AFTLIMZVARTNDE-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366301 788042566 /nfs/dbraw/zinc/04/25/66/788042566.db2.gz ZWJCLYABMSFDJH-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366301 788042574 /nfs/dbraw/zinc/04/25/74/788042574.db2.gz ZWJCLYABMSFDJH-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366301 788042578 /nfs/dbraw/zinc/04/25/78/788042578.db2.gz ZWJCLYABMSFDJH-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860286 788254263 /nfs/dbraw/zinc/25/42/63/788254263.db2.gz IHNUCKUOZNEVSE-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860286 788254267 /nfs/dbraw/zinc/25/42/67/788254267.db2.gz IHNUCKUOZNEVSE-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097860286 788254271 /nfs/dbraw/zinc/25/42/71/788254271.db2.gz IHNUCKUOZNEVSE-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274073 788346366 /nfs/dbraw/zinc/34/63/66/788346366.db2.gz AVZOZDULJKIKCK-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170784782 789168605 /nfs/dbraw/zinc/16/86/05/789168605.db2.gz LCEVNWJYPPLMOV-OAHLLOKOSA-N 2 1 315.889 2.489 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868932 789562367 /nfs/dbraw/zinc/56/23/67/789562367.db2.gz XBQZGULJUHGRMU-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583457 791576853 /nfs/dbraw/zinc/57/68/53/791576853.db2.gz QIDDOVRRDNUTCE-GVDBMIGSSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583457 791576861 /nfs/dbraw/zinc/57/68/61/791576861.db2.gz QIDDOVRRDNUTCE-GVDBMIGSSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583457 791576867 /nfs/dbraw/zinc/57/68/67/791576867.db2.gz QIDDOVRRDNUTCE-GVDBMIGSSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226511 791715959 /nfs/dbraw/zinc/71/59/59/791715959.db2.gz HQVPMWMFXMAJRX-DLBZAZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731042 /nfs/dbraw/zinc/73/10/42/791731042.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731048 /nfs/dbraw/zinc/73/10/48/791731048.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292898 791731053 /nfs/dbraw/zinc/73/10/53/791731053.db2.gz ZKOOVXIHTYKSTF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436023 791745150 /nfs/dbraw/zinc/74/51/50/791745150.db2.gz DCLIXUSMRMAMKS-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436023 791745153 /nfs/dbraw/zinc/74/51/53/791745153.db2.gz DCLIXUSMRMAMKS-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086882639 791835509 /nfs/dbraw/zinc/83/55/09/791835509.db2.gz BZOQXSZRYJFLIK-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671577 792108716 /nfs/dbraw/zinc/10/87/16/792108716.db2.gz MJMNGKANZIKRAB-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671577 792108722 /nfs/dbraw/zinc/10/87/22/792108722.db2.gz MJMNGKANZIKRAB-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671577 792108725 /nfs/dbraw/zinc/10/87/25/792108725.db2.gz MJMNGKANZIKRAB-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164656 792121899 /nfs/dbraw/zinc/12/18/99/792121899.db2.gz FQRSSZZMMBZKAJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164656 792121903 /nfs/dbraw/zinc/12/19/03/792121903.db2.gz FQRSSZZMMBZKAJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354449 792180562 /nfs/dbraw/zinc/18/05/62/792180562.db2.gz SPCLFOQLKOAYQN-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035014 792976985 /nfs/dbraw/zinc/97/69/85/792976985.db2.gz UWODPXBMBBJVBQ-VMWRSERWSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101543031 793221196 /nfs/dbraw/zinc/22/11/96/793221196.db2.gz NCCMBTANZDUZAV-NVXWUHKLSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591058 793253674 /nfs/dbraw/zinc/25/36/74/793253674.db2.gz CNTPKQJLFBPVPZ-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591327 793254510 /nfs/dbraw/zinc/25/45/10/793254510.db2.gz SLPWOVUFZBUEBB-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330211 793578016 /nfs/dbraw/zinc/57/80/16/793578016.db2.gz JBMCELBIAXZDNI-BRWVUGGUSA-N 2 1 309.498 2.223 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600293 793669752 /nfs/dbraw/zinc/66/97/52/793669752.db2.gz XRTIJWIRYHSKKC-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436337 794092180 /nfs/dbraw/zinc/09/21/80/794092180.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436337 794092183 /nfs/dbraw/zinc/09/21/83/794092183.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436337 794092190 /nfs/dbraw/zinc/09/21/90/794092190.db2.gz UJLUAWWSVGTODJ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905405 794098582 /nfs/dbraw/zinc/09/85/82/794098582.db2.gz KHCFNSHTLMPGNB-IKGGRYGDSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755992 794214179 /nfs/dbraw/zinc/21/41/79/794214179.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755992 794214190 /nfs/dbraw/zinc/21/41/90/794214190.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755992 794214195 /nfs/dbraw/zinc/21/41/95/794214195.db2.gz TUHUYHLQTZNOAL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870758 794508604 /nfs/dbraw/zinc/50/86/04/794508604.db2.gz MPQIHOIBMXOWLI-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870758 794508610 /nfs/dbraw/zinc/50/86/10/794508610.db2.gz MPQIHOIBMXOWLI-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870758 794508616 /nfs/dbraw/zinc/50/86/16/794508616.db2.gz MPQIHOIBMXOWLI-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428721 794632314 /nfs/dbraw/zinc/63/23/14/794632314.db2.gz LSBGAEZHBJLJTD-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115572987 794826286 /nfs/dbraw/zinc/82/62/86/794826286.db2.gz CKGHZVUYGWNMEM-HNNXBMFYSA-N 2 1 316.449 2.355 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH]cnc32)CCCCC1 ZINC001115724986 794895661 /nfs/dbraw/zinc/89/56/61/794895661.db2.gz DMVCJHPXTINZLL-CQSZACIVSA-N 2 1 316.449 2.424 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360947 794908637 /nfs/dbraw/zinc/90/86/37/794908637.db2.gz SXWFLHYJAHCJCQ-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178518726 794939903 /nfs/dbraw/zinc/93/99/03/794939903.db2.gz YAGLQSCIOJULCU-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178889972 795020238 /nfs/dbraw/zinc/02/02/38/795020238.db2.gz CRQDZPPCZXWISK-ULQDDVLXSA-N 2 1 307.482 2.404 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001178920681 795031641 /nfs/dbraw/zinc/03/16/41/795031641.db2.gz DROGGDDAZJPXHF-SFHVURJKSA-N 2 1 321.509 2.396 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234378 795081281 /nfs/dbraw/zinc/08/12/81/795081281.db2.gz MEPMLYYNNCVLBJ-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179398266 795104367 /nfs/dbraw/zinc/10/43/67/795104367.db2.gz DQWXRRANVBLBPQ-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180353043 795280352 /nfs/dbraw/zinc/28/03/52/795280352.db2.gz ZBBVARWLUCPFCV-CALCHBBNSA-N 2 1 307.482 2.149 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207758 795421984 /nfs/dbraw/zinc/42/19/84/795421984.db2.gz DVCOKQNSRXHJJP-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208215 795422017 /nfs/dbraw/zinc/42/20/17/795422017.db2.gz VUOMUIVRJSZBFN-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181508405 795482117 /nfs/dbraw/zinc/48/21/17/795482117.db2.gz WZXBTYPIJPXRJP-YWTNHNAXSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101770 795725814 /nfs/dbraw/zinc/72/58/14/795725814.db2.gz ZIMNDIKASJQOSK-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182776420 795753157 /nfs/dbraw/zinc/75/31/57/795753157.db2.gz XHHGSHISKRPZTJ-CRAIPNDOSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001183085768 795797616 /nfs/dbraw/zinc/79/76/16/795797616.db2.gz IDGIKTPGQGUSRW-SFHVURJKSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714335 796109345 /nfs/dbraw/zinc/10/93/45/796109345.db2.gz XMDBFRQUBRIJOI-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185159526 796197853 /nfs/dbraw/zinc/19/78/53/796197853.db2.gz ZFJJTZYNBVMEJS-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185551327 796281505 /nfs/dbraw/zinc/28/15/05/796281505.db2.gz ZDBGCFFAHCQXLN-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185660020 796301165 /nfs/dbraw/zinc/30/11/65/796301165.db2.gz VNWVGBKZNHOBEJ-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185749542 796309922 /nfs/dbraw/zinc/30/99/22/796309922.db2.gz CJMWQCZGFVMIFT-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361095 796666765 /nfs/dbraw/zinc/66/67/65/796666765.db2.gz BREBDOPTXJAZAW-MRXNPFEDSA-N 2 1 321.852 2.061 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382683 796815465 /nfs/dbraw/zinc/81/54/65/796815465.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382683 796815469 /nfs/dbraw/zinc/81/54/69/796815469.db2.gz PENSWOXNIXVXPS-YQQAZPJKSA-N 2 1 316.449 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561780 797227622 /nfs/dbraw/zinc/22/76/22/797227622.db2.gz UEGZFLGRGKBMFX-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677430 797375455 /nfs/dbraw/zinc/37/54/55/797375455.db2.gz CZIBEHINCVZLTA-CVEARBPZSA-N 2 1 315.477 2.459 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385158 797377889 /nfs/dbraw/zinc/37/78/89/797377889.db2.gz FDGCLEUGTPCLSD-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153890935 797418904 /nfs/dbraw/zinc/41/89/04/797418904.db2.gz AOVPUVHDJPWAJU-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153890935 797418908 /nfs/dbraw/zinc/41/89/08/797418908.db2.gz AOVPUVHDJPWAJU-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153890935 797418912 /nfs/dbraw/zinc/41/89/12/797418912.db2.gz AOVPUVHDJPWAJU-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153890935 797418916 /nfs/dbraw/zinc/41/89/16/797418916.db2.gz AOVPUVHDJPWAJU-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389332 797557410 /nfs/dbraw/zinc/55/74/10/797557410.db2.gz BCZBEXKYLPHBSV-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389332 797557415 /nfs/dbraw/zinc/55/74/15/797557415.db2.gz BCZBEXKYLPHBSV-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389332 797557419 /nfs/dbraw/zinc/55/74/19/797557419.db2.gz BCZBEXKYLPHBSV-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424833 797565158 /nfs/dbraw/zinc/56/51/58/797565158.db2.gz PYOUYOPZIWXHSO-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424833 797565162 /nfs/dbraw/zinc/56/51/62/797565162.db2.gz PYOUYOPZIWXHSO-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449455 797725866 /nfs/dbraw/zinc/72/58/66/797725866.db2.gz TUZBYXKDDBJYKO-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449455 797725869 /nfs/dbraw/zinc/72/58/69/797725869.db2.gz TUZBYXKDDBJYKO-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449455 797725871 /nfs/dbraw/zinc/72/58/71/797725871.db2.gz TUZBYXKDDBJYKO-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449455 797725875 /nfs/dbraw/zinc/72/58/75/797725875.db2.gz TUZBYXKDDBJYKO-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c12 ZINC001155459162 797761521 /nfs/dbraw/zinc/76/15/21/797761521.db2.gz OZRQVEBJHKNJNQ-CYBMUJFWSA-N 2 1 320.400 2.458 20 30 DEEDMP Cc1ccc(CC#N)c(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001155461135 797762473 /nfs/dbraw/zinc/76/24/73/797762473.db2.gz BGPWMMIMHWLEAJ-HNNXBMFYSA-N 2 1 309.417 2.479 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156961211 798117169 /nfs/dbraw/zinc/11/71/69/798117169.db2.gz IAXSAGGKUXRLFD-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396646 798181557 /nfs/dbraw/zinc/18/15/57/798181557.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396646 798181560 /nfs/dbraw/zinc/18/15/60/798181560.db2.gz IIFVGGROUXELLV-OAHLLOKOSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158472950 798412183 /nfs/dbraw/zinc/41/21/83/798412183.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158472950 798412188 /nfs/dbraw/zinc/41/21/88/798412188.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158472950 798412193 /nfs/dbraw/zinc/41/21/93/798412193.db2.gz GXSSPXYHFOEJAB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751602 798462994 /nfs/dbraw/zinc/46/29/94/798462994.db2.gz ZVCAKOXYSQWIEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751602 798463000 /nfs/dbraw/zinc/46/30/00/798463000.db2.gz ZVCAKOXYSQWIEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751602 798463003 /nfs/dbraw/zinc/46/30/03/798463003.db2.gz ZVCAKOXYSQWIEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP Cc1[nH+]c(NCc2ccccc2N2CC[NH2+]CC2)ccc1CC#N ZINC001160112292 798649048 /nfs/dbraw/zinc/64/90/48/798649048.db2.gz LKWAFHBTSXHXLY-UHFFFAOYSA-N 2 1 321.428 2.478 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286132 798670631 /nfs/dbraw/zinc/67/06/31/798670631.db2.gz NVCMGWQLOFIDMS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286132 798670632 /nfs/dbraw/zinc/67/06/32/798670632.db2.gz NVCMGWQLOFIDMS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286132 798670634 /nfs/dbraw/zinc/67/06/34/798670634.db2.gz NVCMGWQLOFIDMS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367224 798679988 /nfs/dbraw/zinc/67/99/88/798679988.db2.gz FQEISXLOJKONQA-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053449 798711127 /nfs/dbraw/zinc/71/11/27/798711127.db2.gz POMRWVAJCXAGRH-INIZCTEOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144838 798832799 /nfs/dbraw/zinc/83/27/99/798832799.db2.gz KYWOKFTWRDBJLZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144839 798832863 /nfs/dbraw/zinc/83/28/63/798832863.db2.gz KYWOKFTWRDBJLZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161698916 798914907 /nfs/dbraw/zinc/91/49/07/798914907.db2.gz FYONZEFEJHQRQA-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698916 798914910 /nfs/dbraw/zinc/91/49/10/798914910.db2.gz FYONZEFEJHQRQA-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698916 798914916 /nfs/dbraw/zinc/91/49/16/798914916.db2.gz FYONZEFEJHQRQA-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993635 798987091 /nfs/dbraw/zinc/98/70/91/798987091.db2.gz FYETZOKODVUNED-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153654285 799088601 /nfs/dbraw/zinc/08/86/01/799088601.db2.gz TWHIIGKDSVIMGH-ZIAGYGMSSA-N 2 1 321.868 2.245 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153654285 799088609 /nfs/dbraw/zinc/08/86/09/799088609.db2.gz TWHIIGKDSVIMGH-ZIAGYGMSSA-N 2 1 321.868 2.245 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163147278 799261127 /nfs/dbraw/zinc/26/11/27/799261127.db2.gz MTVRAWVIDTUQTJ-MKXGPGLRSA-N 2 1 313.445 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954198 799794383 /nfs/dbraw/zinc/79/43/83/799794383.db2.gz MKOSLTROAPCIJC-VQHPVUNQSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205462154 800359513 /nfs/dbraw/zinc/35/95/13/800359513.db2.gz UCFPIDYCSJPXFU-MRXNPFEDSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461371 800360466 /nfs/dbraw/zinc/36/04/66/800360466.db2.gz HSDNLWXUOLESCB-GOSISDBHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519078 800367310 /nfs/dbraw/zinc/36/73/10/800367310.db2.gz UTBYMMSMCSGBGB-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206275710 800501348 /nfs/dbraw/zinc/50/13/48/800501348.db2.gz ZGMLMYJZCFHSAD-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH2+]CC1)[C@H]2CC ZINC001207435596 800751536 /nfs/dbraw/zinc/75/15/36/800751536.db2.gz RADJSPPTDFSVMO-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545166 800775943 /nfs/dbraw/zinc/77/59/43/800775943.db2.gz IMPKIUZVWDTWOB-OWCLPIDISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207871476 800854317 /nfs/dbraw/zinc/85/43/17/800854317.db2.gz MSSNDZQPEKFCGQ-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279209 800944953 /nfs/dbraw/zinc/94/49/53/800944953.db2.gz KSSZFRNZBZBCLT-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279260 800945165 /nfs/dbraw/zinc/94/51/65/800945165.db2.gz LTCTYHPVRSIVEG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330940 800956758 /nfs/dbraw/zinc/95/67/58/800956758.db2.gz IBCACMNOLGCKGX-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209161986 801140223 /nfs/dbraw/zinc/14/02/23/801140223.db2.gz PYJZKTCEOPZWKT-UHFFFAOYSA-N 2 1 318.465 2.257 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950265 801311762 /nfs/dbraw/zinc/31/17/62/801311762.db2.gz DMKZEYRUMIWQDB-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591787 801429822 /nfs/dbraw/zinc/42/98/22/801429822.db2.gz JKZMHEKTJUTAIF-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230629278 801440944 /nfs/dbraw/zinc/44/09/44/801440944.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230629278 801440947 /nfs/dbraw/zinc/44/09/47/801440947.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230629278 801440951 /nfs/dbraw/zinc/44/09/51/801440951.db2.gz NDEZETUKVMUOTI-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223916985 802823686 /nfs/dbraw/zinc/82/36/86/802823686.db2.gz YAKGHTXIVDGMCE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223916985 802823693 /nfs/dbraw/zinc/82/36/93/802823693.db2.gz YAKGHTXIVDGMCE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223916985 802823700 /nfs/dbraw/zinc/82/37/00/802823700.db2.gz YAKGHTXIVDGMCE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245931 802851245 /nfs/dbraw/zinc/85/12/45/802851245.db2.gz LYSRWOZELVRUQN-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245931 802851251 /nfs/dbraw/zinc/85/12/51/802851251.db2.gz LYSRWOZELVRUQN-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245931 802851258 /nfs/dbraw/zinc/85/12/58/802851258.db2.gz LYSRWOZELVRUQN-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245931 802851262 /nfs/dbraw/zinc/85/12/62/802851262.db2.gz LYSRWOZELVRUQN-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226555172 803123855 /nfs/dbraw/zinc/12/38/55/803123855.db2.gz TYAACRIBBGLJBH-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226890049 803172963 /nfs/dbraw/zinc/17/29/63/803172963.db2.gz GJLHEMGNUKRUJV-GVDBMIGSSA-N 2 1 307.482 2.454 20 30 DEEDMP CC1(C)CCC[N@@H+]1CCNCCC(=O)Nc1cccc(C#N)c1 ZINC001336002257 1150587070 /nfs/dbraw/zinc/58/70/70/1150587070.db2.gz LNXAMTXYOBTTRR-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP CC1(C)CCC[N@H+]1CCNCCC(=O)Nc1cccc(C#N)c1 ZINC001336002257 1150587076 /nfs/dbraw/zinc/58/70/76/1150587076.db2.gz LNXAMTXYOBTTRR-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP CC1(C)CCC[N@@H+]1CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336002257 1150587083 /nfs/dbraw/zinc/58/70/83/1150587083.db2.gz LNXAMTXYOBTTRR-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP CC1(C)CCC[N@H+]1CC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001336002257 1150587094 /nfs/dbraw/zinc/58/70/94/1150587094.db2.gz LNXAMTXYOBTTRR-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP C=CCCC[N@H+](CC)CC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001328588975 1148813617 /nfs/dbraw/zinc/81/36/17/1148813617.db2.gz ROEKRMCBXOFGLQ-UHFFFAOYSA-N 2 1 318.465 2.410 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328748831 1148830881 /nfs/dbraw/zinc/83/08/81/1148830881.db2.gz IIHSZRKCTZVIJS-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(CC)CC ZINC001499900933 1058359694 /nfs/dbraw/zinc/35/96/94/1058359694.db2.gz OSPRQJIAGFTFSP-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(CC)CC ZINC001499900933 1058359712 /nfs/dbraw/zinc/35/97/12/1058359712.db2.gz OSPRQJIAGFTFSP-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cnc2C)C1 ZINC001500546612 1058910836 /nfs/dbraw/zinc/91/08/36/1058910836.db2.gz DIVSCOSEGGJFDQ-SFHVURJKSA-N 2 1 318.465 2.445 20 30 DEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)C2 ZINC001501171639 1059349598 /nfs/dbraw/zinc/34/95/98/1059349598.db2.gz FVKGAHKUIBOXKF-BCDXTJNWSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001501171639 1059349615 /nfs/dbraw/zinc/34/96/15/1059349615.db2.gz FVKGAHKUIBOXKF-BCDXTJNWSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CCC)C2 ZINC001501171639 1059349637 /nfs/dbraw/zinc/34/96/37/1059349637.db2.gz FVKGAHKUIBOXKF-BCDXTJNWSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001505513919 1060670960 /nfs/dbraw/zinc/67/09/60/1060670960.db2.gz URWMABOXCZKIAJ-HTWSVDAQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001479369900 1061419457 /nfs/dbraw/zinc/41/94/57/1061419457.db2.gz GFFVKEPGMMLUPX-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479519466 1061488555 /nfs/dbraw/zinc/48/85/55/1061488555.db2.gz LPWYCBWUGWORRD-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001479734844 1061659354 /nfs/dbraw/zinc/65/93/54/1061659354.db2.gz UJVYPDPCIZLYOH-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001479734844 1061659365 /nfs/dbraw/zinc/65/93/65/1061659365.db2.gz UJVYPDPCIZLYOH-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479747350 1061675953 /nfs/dbraw/zinc/67/59/53/1061675953.db2.gz XQUFKOQJWXOAFL-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCCC(C)(C)C ZINC001479776501 1061733549 /nfs/dbraw/zinc/73/35/49/1061733549.db2.gz IAPDTOCVFKIQFI-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001479776501 1061733570 /nfs/dbraw/zinc/73/35/70/1061733570.db2.gz IAPDTOCVFKIQFI-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001479776501 1061733586 /nfs/dbraw/zinc/73/35/86/1061733586.db2.gz IAPDTOCVFKIQFI-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001479776501 1061733609 /nfs/dbraw/zinc/73/36/09/1061733609.db2.gz IAPDTOCVFKIQFI-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001506500372 1062052504 /nfs/dbraw/zinc/05/25/04/1062052504.db2.gz PJRXFNLFUFRFKO-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480088249 1062307689 /nfs/dbraw/zinc/30/76/89/1062307689.db2.gz GEMUWZGFLHKVRJ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001480088249 1062307716 /nfs/dbraw/zinc/30/77/16/1062307716.db2.gz GEMUWZGFLHKVRJ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001480088249 1062307740 /nfs/dbraw/zinc/30/77/40/1062307740.db2.gz GEMUWZGFLHKVRJ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480161538 1062408850 /nfs/dbraw/zinc/40/88/50/1062408850.db2.gz GDBXZRQWECQBAT-ULQDDVLXSA-N 2 1 307.482 2.452 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386377 1062771225 /nfs/dbraw/zinc/77/12/25/1062771225.db2.gz JHKZJTZMUKZOCW-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480695635 1063201804 /nfs/dbraw/zinc/20/18/04/1063201804.db2.gz DAJGFXVHSAXNCT-JKSUJKDBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507396725 1063223815 /nfs/dbraw/zinc/22/38/15/1063223815.db2.gz FAOVGQFWIAEJSN-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001507414579 1063253029 /nfs/dbraw/zinc/25/30/29/1063253029.db2.gz SEROMXHQPMJQKS-GJZGRUSLSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742718 1063282648 /nfs/dbraw/zinc/28/26/48/1063282648.db2.gz QXDYEDFBMXOKGY-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507961244 1063478308 /nfs/dbraw/zinc/47/83/08/1063478308.db2.gz IJHASMIEKYTSGO-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001493159952 1063608436 /nfs/dbraw/zinc/60/84/36/1063608436.db2.gz FVNBENVAMCBBBC-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493157704 1063610444 /nfs/dbraw/zinc/61/04/44/1063610444.db2.gz AECBPWJVDOKJIB-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493157704 1063610424 /nfs/dbraw/zinc/61/04/24/1063610424.db2.gz AECBPWJVDOKJIB-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493157704 1063610434 /nfs/dbraw/zinc/61/04/34/1063610434.db2.gz AECBPWJVDOKJIB-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001493213106 1063643852 /nfs/dbraw/zinc/64/38/52/1063643852.db2.gz HYVFFZKVFVWDCU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493213106 1063643858 /nfs/dbraw/zinc/64/38/58/1063643858.db2.gz HYVFFZKVFVWDCU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493213106 1063643868 /nfs/dbraw/zinc/64/38/68/1063643868.db2.gz HYVFFZKVFVWDCU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729676 1064381869 /nfs/dbraw/zinc/38/18/69/1064381869.db2.gz LRAWMDFXYAVBEH-HOTGVXAUSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729676 1064381875 /nfs/dbraw/zinc/38/18/75/1064381875.db2.gz LRAWMDFXYAVBEH-HOTGVXAUSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729676 1064381885 /nfs/dbraw/zinc/38/18/85/1064381885.db2.gz LRAWMDFXYAVBEH-HOTGVXAUSA-N 2 1 318.465 2.477 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567727400 1064382224 /nfs/dbraw/zinc/38/22/24/1064382224.db2.gz IBJHJAKIHADKKJ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567727400 1064382237 /nfs/dbraw/zinc/38/22/37/1064382237.db2.gz IBJHJAKIHADKKJ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567727400 1064382249 /nfs/dbraw/zinc/38/22/49/1064382249.db2.gz IBJHJAKIHADKKJ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867334 1064527524 /nfs/dbraw/zinc/52/75/24/1064527524.db2.gz DYSHEVFWCRYJTO-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867334 1064527540 /nfs/dbraw/zinc/52/75/40/1064527540.db2.gz DYSHEVFWCRYJTO-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001568057375 1064622994 /nfs/dbraw/zinc/62/29/94/1064622994.db2.gz SHHUBHNUULZQLM-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001568106240 1064649852 /nfs/dbraw/zinc/64/98/52/1064649852.db2.gz PEEOSHNIDFCBLO-XLAORIBOSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001568126078 1064660239 /nfs/dbraw/zinc/66/02/39/1064660239.db2.gz OYOMHNKOOMQBQR-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001568155405 1064672455 /nfs/dbraw/zinc/67/24/55/1064672455.db2.gz NLOBYPZLWFAPHC-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001568155405 1064672462 /nfs/dbraw/zinc/67/24/62/1064672462.db2.gz NLOBYPZLWFAPHC-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001495183432 1064747360 /nfs/dbraw/zinc/74/73/60/1064747360.db2.gz ZBDLIAISZLLXCK-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001568345131 1064792164 /nfs/dbraw/zinc/79/21/64/1064792164.db2.gz CXYVPINRYHLEDY-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC001568348819 1064794172 /nfs/dbraw/zinc/79/41/72/1064794172.db2.gz KBGWDTAGXNHFSP-KRWDZBQOSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514915 1064929292 /nfs/dbraw/zinc/92/92/92/1064929292.db2.gz DNAMSTKLWUAAMU-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514915 1064929302 /nfs/dbraw/zinc/92/93/02/1064929302.db2.gz DNAMSTKLWUAAMU-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514915 1064929310 /nfs/dbraw/zinc/92/93/10/1064929310.db2.gz DNAMSTKLWUAAMU-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001496457922 1065482496 /nfs/dbraw/zinc/48/24/96/1065482496.db2.gz AQFZLHNUURZHQR-HIFRSBDPSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001496512814 1065523231 /nfs/dbraw/zinc/52/32/31/1065523231.db2.gz DDJCRFLDGOQSQI-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001496512814 1065523236 /nfs/dbraw/zinc/52/32/36/1065523236.db2.gz DDJCRFLDGOQSQI-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001496512814 1065523247 /nfs/dbraw/zinc/52/32/47/1065523247.db2.gz DDJCRFLDGOQSQI-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001569858820 1065770520 /nfs/dbraw/zinc/77/05/20/1065770520.db2.gz BUIGCACPPIEEQW-YYIAUSFCSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001570028011 1065892743 /nfs/dbraw/zinc/89/27/43/1065892743.db2.gz GGGJEMASPOSQJJ-UHFFFAOYSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C(C)C ZINC001570028011 1065892761 /nfs/dbraw/zinc/89/27/61/1065892761.db2.gz GGGJEMASPOSQJJ-UHFFFAOYSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C(C)C ZINC001570028011 1065892769 /nfs/dbraw/zinc/89/27/69/1065892769.db2.gz GGGJEMASPOSQJJ-UHFFFAOYSA-N 2 1 315.461 2.098 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570089701 1065920042 /nfs/dbraw/zinc/92/00/42/1065920042.db2.gz ISKYVHXPYPLVFW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570263182 1065996165 /nfs/dbraw/zinc/99/61/65/1065996165.db2.gz DYJJORFEFZJOIJ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570449585 1066076602 /nfs/dbraw/zinc/07/66/02/1066076602.db2.gz RNAWFJCAOLMOJT-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001570504856 1066099375 /nfs/dbraw/zinc/09/93/75/1066099375.db2.gz XGUJOSLLBAOFJF-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001570504856 1066099386 /nfs/dbraw/zinc/09/93/86/1066099386.db2.gz XGUJOSLLBAOFJF-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570504856 1066099395 /nfs/dbraw/zinc/09/93/95/1066099395.db2.gz XGUJOSLLBAOFJF-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001628586160 1078300124 /nfs/dbraw/zinc/30/01/24/1078300124.db2.gz VOYOKLFJINWJOF-ZBFHGGJFSA-N 2 1 321.490 2.365 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001498904544 1066949323 /nfs/dbraw/zinc/94/93/23/1066949323.db2.gz VJVLJVZDXKCXID-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001483406008 1078513518 /nfs/dbraw/zinc/51/35/18/1078513518.db2.gz PAGODQKUHZTIMX-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483406008 1078513526 /nfs/dbraw/zinc/51/35/26/1078513526.db2.gz PAGODQKUHZTIMX-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483406008 1078513534 /nfs/dbraw/zinc/51/35/34/1078513534.db2.gz PAGODQKUHZTIMX-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267132762 1078604385 /nfs/dbraw/zinc/60/43/85/1078604385.db2.gz SCFYJLIPZYNJSV-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001267144573 1078611815 /nfs/dbraw/zinc/61/18/15/1078611815.db2.gz AZFFBFQAXZOVEC-JQHSSLGASA-N 2 1 315.461 2.002 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001570550706 1068002006 /nfs/dbraw/zinc/00/20/06/1068002006.db2.gz DCCFGUNGHOQASU-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550706 1068002022 /nfs/dbraw/zinc/00/20/22/1068002022.db2.gz DCCFGUNGHOQASU-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550706 1068002038 /nfs/dbraw/zinc/00/20/38/1068002038.db2.gz DCCFGUNGHOQASU-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001570574441 1068015901 /nfs/dbraw/zinc/01/59/01/1068015901.db2.gz ONIIKMVNCZCEBG-UHFFFAOYSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570689358 1068068774 /nfs/dbraw/zinc/06/87/74/1068068774.db2.gz WGNAVYXTPXSESY-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001570847113 1068138606 /nfs/dbraw/zinc/13/86/06/1068138606.db2.gz CHSNSRLZKHTTQX-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001571666122 1068469863 /nfs/dbraw/zinc/46/98/63/1068469863.db2.gz XSMDJZXTVUHZGU-JEYLPNPQSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267302960 1078749424 /nfs/dbraw/zinc/74/94/24/1078749424.db2.gz JCRBAVQFPINYKS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001521462341 1069245058 /nfs/dbraw/zinc/24/50/58/1069245058.db2.gz DCMWMXWDYGQHBJ-MAUKXSAKSA-N 2 1 315.461 2.233 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)nn1 ZINC001574921218 1069297830 /nfs/dbraw/zinc/29/78/30/1069297830.db2.gz USPOEAIRYOPIMV-QGZVFWFLSA-N 2 1 315.465 2.208 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001483743969 1078980259 /nfs/dbraw/zinc/98/02/59/1078980259.db2.gz JTRXRWQQOUTUPS-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568625 1079003253 /nfs/dbraw/zinc/00/32/53/1079003253.db2.gz WBVPXBDWBUZIKJ-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568625 1079003258 /nfs/dbraw/zinc/00/32/58/1079003258.db2.gz WBVPXBDWBUZIKJ-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572242 1079042256 /nfs/dbraw/zinc/04/22/56/1079042256.db2.gz XULQIEBTYWNWJO-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572242 1079042261 /nfs/dbraw/zinc/04/22/61/1079042261.db2.gz XULQIEBTYWNWJO-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585594 1079089771 /nfs/dbraw/zinc/08/97/71/1079089771.db2.gz YKSGXDHVITXGOT-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001329342086 1148885909 /nfs/dbraw/zinc/88/59/09/1148885909.db2.gz PUFWPMYXDKVJCP-AWEZNQCLSA-N 2 1 306.454 2.239 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001484014530 1079243431 /nfs/dbraw/zinc/24/34/31/1079243431.db2.gz OBWXIHMLCJPJDY-OAHLLOKOSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267635986 1079324649 /nfs/dbraw/zinc/32/46/49/1079324649.db2.gz OXUNKEKDYMHCKI-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267635986 1079324654 /nfs/dbraw/zinc/32/46/54/1079324654.db2.gz OXUNKEKDYMHCKI-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267635986 1079324657 /nfs/dbraw/zinc/32/46/57/1079324657.db2.gz OXUNKEKDYMHCKI-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267635986 1079324662 /nfs/dbraw/zinc/32/46/62/1079324662.db2.gz OXUNKEKDYMHCKI-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267700947 1079388411 /nfs/dbraw/zinc/38/84/11/1079388411.db2.gz KQEIDQBHPWVEHM-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566966331 1075402914 /nfs/dbraw/zinc/40/29/14/1075402914.db2.gz UFNQJXCYUDWBIB-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966331 1075402915 /nfs/dbraw/zinc/40/29/15/1075402915.db2.gz UFNQJXCYUDWBIB-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966331 1075402916 /nfs/dbraw/zinc/40/29/16/1075402916.db2.gz UFNQJXCYUDWBIB-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567128345 1075438070 /nfs/dbraw/zinc/43/80/70/1075438070.db2.gz NYVZDNKHSXNGPL-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267927822 1079609283 /nfs/dbraw/zinc/60/92/83/1079609283.db2.gz OPSKTJGTTOKTHN-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCC1 ZINC001484636804 1079704927 /nfs/dbraw/zinc/70/49/27/1079704927.db2.gz JMVKFBBKAFCUAU-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001484768609 1079795383 /nfs/dbraw/zinc/79/53/83/1079795383.db2.gz CRLKYIBBAVOBEU-UHFFFAOYSA-N 2 1 315.461 2.165 20 30 DEEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481405215 1079795411 /nfs/dbraw/zinc/79/54/11/1079795411.db2.gz BKAZIMBGKJYKGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481405215 1079795417 /nfs/dbraw/zinc/79/54/17/1079795417.db2.gz BKAZIMBGKJYKGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001481405215 1079795421 /nfs/dbraw/zinc/79/54/21/1079795421.db2.gz BKAZIMBGKJYKGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481405215 1079795426 /nfs/dbraw/zinc/79/54/26/1079795426.db2.gz BKAZIMBGKJYKGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001484924297 1079857263 /nfs/dbraw/zinc/85/72/63/1079857263.db2.gz NDXBZWMYZHLCKQ-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451736 1079876225 /nfs/dbraw/zinc/87/62/25/1079876225.db2.gz RRFZLORFVYAAGN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485068666 1079946256 /nfs/dbraw/zinc/94/62/56/1079946256.db2.gz GKHPDBBASORVRJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485068666 1079946259 /nfs/dbraw/zinc/94/62/59/1079946259.db2.gz GKHPDBBASORVRJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485068666 1079946260 /nfs/dbraw/zinc/94/62/60/1079946260.db2.gz GKHPDBBASORVRJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001485110956 1079988125 /nfs/dbraw/zinc/98/81/25/1079988125.db2.gz ZNQQROSECWZKRP-VMWRSERWSA-N 2 1 315.461 2.350 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001656888919 1080135130 /nfs/dbraw/zinc/13/51/30/1080135130.db2.gz AUFYMXGQZKXZIY-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001657075968 1080151886 /nfs/dbraw/zinc/15/18/86/1080151886.db2.gz MHAAAZXLLGFEAW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001657075968 1080151889 /nfs/dbraw/zinc/15/18/89/1080151889.db2.gz MHAAAZXLLGFEAW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001657075968 1080151892 /nfs/dbraw/zinc/15/18/92/1080151892.db2.gz MHAAAZXLLGFEAW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001481688537 1080299048 /nfs/dbraw/zinc/29/90/48/1080299048.db2.gz ZAUZZPLURROYDT-ROUUACIJSA-N 2 1 321.509 2.489 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582217 1080313567 /nfs/dbraw/zinc/31/35/67/1080313567.db2.gz MXVNBXAIQCWXGB-CVEARBPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001272701372 1080444822 /nfs/dbraw/zinc/44/48/22/1080444822.db2.gz WANFPONRMOUNFH-WBVHZDCISA-N 2 1 315.461 2.481 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001661127451 1080445436 /nfs/dbraw/zinc/44/54/36/1080445436.db2.gz NSFBTZLJMWYFID-FUHWJXTLSA-N 2 1 319.493 2.311 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481781477 1080501241 /nfs/dbraw/zinc/50/12/41/1080501241.db2.gz DUEVZBSNORBLQZ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001661881462 1080539653 /nfs/dbraw/zinc/53/96/53/1080539653.db2.gz YTJGEIVQTYBAPJ-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001662675921 1080632669 /nfs/dbraw/zinc/63/26/69/1080632669.db2.gz UXQKTMPZUOKZED-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001664574129 1080928130 /nfs/dbraw/zinc/92/81/30/1080928130.db2.gz PKXPHQMCXVSUDU-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001664760815 1080957138 /nfs/dbraw/zinc/95/71/38/1080957138.db2.gz ZGLHDGHUMRYESH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001664760815 1080957141 /nfs/dbraw/zinc/95/71/41/1080957141.db2.gz ZGLHDGHUMRYESH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001664760815 1080957145 /nfs/dbraw/zinc/95/71/45/1080957145.db2.gz ZGLHDGHUMRYESH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747819 1080966311 /nfs/dbraw/zinc/96/63/11/1080966311.db2.gz UKQRYXPFYQHZAA-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001664876489 1080975051 /nfs/dbraw/zinc/97/50/51/1080975051.db2.gz YDMTXJVVEOTCBA-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001664876489 1080975057 /nfs/dbraw/zinc/97/50/57/1080975057.db2.gz YDMTXJVVEOTCBA-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001664876489 1080975062 /nfs/dbraw/zinc/97/50/62/1080975062.db2.gz YDMTXJVVEOTCBA-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001666330197 1081145385 /nfs/dbraw/zinc/14/53/85/1081145385.db2.gz CBZHEXDXJKVWCF-GOSISDBHSA-N 2 1 315.461 2.453 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001666421374 1081151667 /nfs/dbraw/zinc/15/16/67/1081151667.db2.gz ZMANRNRDTYLPNS-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403610 1081239216 /nfs/dbraw/zinc/23/92/16/1081239216.db2.gz YGUPLQJOYZAMJF-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403609 1081239616 /nfs/dbraw/zinc/23/96/16/1081239616.db2.gz YGUPLQJOYZAMJF-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001482245065 1081374859 /nfs/dbraw/zinc/37/48/59/1081374859.db2.gz AKSGOXLGHBXRRL-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001671570526 1081524340 /nfs/dbraw/zinc/52/43/40/1081524340.db2.gz WPCJVIUTQJNMIX-INIZCTEOSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270616817 1081564180 /nfs/dbraw/zinc/56/41/80/1081564180.db2.gz YPGBKVDGBDUYRR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001270631474 1081575419 /nfs/dbraw/zinc/57/54/19/1081575419.db2.gz CANJJHQJMPEJGZ-KRWDZBQOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001270631474 1081575430 /nfs/dbraw/zinc/57/54/30/1081575430.db2.gz CANJJHQJMPEJGZ-KRWDZBQOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270640737 1081580623 /nfs/dbraw/zinc/58/06/23/1081580623.db2.gz CQEDROXPNPGNIP-QGZVFWFLSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001270640737 1081580629 /nfs/dbraw/zinc/58/06/29/1081580629.db2.gz CQEDROXPNPGNIP-QGZVFWFLSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001673129116 1081740500 /nfs/dbraw/zinc/74/05/00/1081740500.db2.gz IKPYNYMIGZHEOR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001673651720 1081788759 /nfs/dbraw/zinc/78/87/59/1081788759.db2.gz ZMDHRDCRIVXGNR-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673651720 1081788764 /nfs/dbraw/zinc/78/87/64/1081788764.db2.gz ZMDHRDCRIVXGNR-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673651720 1081788768 /nfs/dbraw/zinc/78/87/68/1081788768.db2.gz ZMDHRDCRIVXGNR-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001673765843 1081799236 /nfs/dbraw/zinc/79/92/36/1081799236.db2.gz ZYDNDYHIGQJUJH-UHFFFAOYSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001673765843 1081799242 /nfs/dbraw/zinc/79/92/42/1081799242.db2.gz ZYDNDYHIGQJUJH-UHFFFAOYSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001673765843 1081799248 /nfs/dbraw/zinc/79/92/48/1081799248.db2.gz ZYDNDYHIGQJUJH-UHFFFAOYSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001673765843 1081799255 /nfs/dbraw/zinc/79/92/55/1081799255.db2.gz ZYDNDYHIGQJUJH-UHFFFAOYSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001674135832 1081843374 /nfs/dbraw/zinc/84/33/74/1081843374.db2.gz SFCKTTNPCRIZSA-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674506645 1081884793 /nfs/dbraw/zinc/88/47/93/1081884793.db2.gz YWLPVFNHILNLDP-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506645 1081884798 /nfs/dbraw/zinc/88/47/98/1081884798.db2.gz YWLPVFNHILNLDP-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506645 1081884804 /nfs/dbraw/zinc/88/48/04/1081884804.db2.gz YWLPVFNHILNLDP-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001482453947 1081899705 /nfs/dbraw/zinc/89/97/05/1081899705.db2.gz PJNQTJFEFZQWDR-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266472665 1082060585 /nfs/dbraw/zinc/06/05/85/1082060585.db2.gz OPOGWUHZDSATTJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266472665 1082060591 /nfs/dbraw/zinc/06/05/91/1082060591.db2.gz OPOGWUHZDSATTJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266472665 1082060598 /nfs/dbraw/zinc/06/05/98/1082060598.db2.gz OPOGWUHZDSATTJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001271884604 1082180803 /nfs/dbraw/zinc/18/08/03/1082180803.db2.gz KTBOMJCQWXRSFQ-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001271898797 1082185472 /nfs/dbraw/zinc/18/54/72/1082185472.db2.gz WRZNCLLUTKVFPA-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001670595686 1082190812 /nfs/dbraw/zinc/19/08/12/1082190812.db2.gz OMRZSDNQDTWETJ-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658879 1082254393 /nfs/dbraw/zinc/25/43/93/1082254393.db2.gz JMXXPQCEQKKMDO-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266868006 1082414503 /nfs/dbraw/zinc/41/45/03/1082414503.db2.gz RTBLFPJTUPMSTN-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266903741 1082443848 /nfs/dbraw/zinc/44/38/48/1082443848.db2.gz VUOSTTULTLRTQZ-YLALRLGGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266903741 1082443849 /nfs/dbraw/zinc/44/38/49/1082443849.db2.gz VUOSTTULTLRTQZ-YLALRLGGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266903741 1082443851 /nfs/dbraw/zinc/44/38/51/1082443851.db2.gz VUOSTTULTLRTQZ-YLALRLGGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283297352 1082469253 /nfs/dbraw/zinc/46/92/53/1082469253.db2.gz XZTLMYSIBMIIOA-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001283297352 1082469257 /nfs/dbraw/zinc/46/92/57/1082469257.db2.gz XZTLMYSIBMIIOA-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001283297352 1082469261 /nfs/dbraw/zinc/46/92/61/1082469261.db2.gz XZTLMYSIBMIIOA-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001482954845 1082575830 /nfs/dbraw/zinc/57/58/30/1082575830.db2.gz QMBHMWOTAQTLRI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001490905574 1083887585 /nfs/dbraw/zinc/88/75/85/1083887585.db2.gz QTKNCBBOTRYLEB-SHTZXODSSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001277324927 1083912274 /nfs/dbraw/zinc/91/22/74/1083912274.db2.gz UTXORYJOGCVFEM-ALOPSCKCSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491225817 1084167715 /nfs/dbraw/zinc/16/77/15/1084167715.db2.gz JCSNWLUXXYHYGK-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491315004 1084230177 /nfs/dbraw/zinc/23/01/77/1084230177.db2.gz VMPAXZIWRWDFPN-SFFUCWETSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491315004 1084230187 /nfs/dbraw/zinc/23/01/87/1084230187.db2.gz VMPAXZIWRWDFPN-SFFUCWETSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391838 1084416436 /nfs/dbraw/zinc/41/64/36/1084416436.db2.gz GGXJXEPBLIEDFO-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235391838 1084416441 /nfs/dbraw/zinc/41/64/41/1084416441.db2.gz GGXJXEPBLIEDFO-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486521776 1085404630 /nfs/dbraw/zinc/40/46/30/1085404630.db2.gz MEWFVQOWNANPJZ-MRXNPFEDSA-N 2 1 307.482 2.430 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486521776 1085404632 /nfs/dbraw/zinc/40/46/32/1085404632.db2.gz MEWFVQOWNANPJZ-MRXNPFEDSA-N 2 1 307.482 2.430 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961570872 1085791638 /nfs/dbraw/zinc/79/16/38/1085791638.db2.gz ZUJJKHLYYDZXCB-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570872 1085791642 /nfs/dbraw/zinc/79/16/42/1085791642.db2.gz ZUJJKHLYYDZXCB-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570872 1085791651 /nfs/dbraw/zinc/79/16/51/1085791651.db2.gz ZUJJKHLYYDZXCB-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850141 1088474903 /nfs/dbraw/zinc/47/49/03/1088474903.db2.gz HLVSFUAOYOBWCL-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850141 1088474912 /nfs/dbraw/zinc/47/49/12/1088474912.db2.gz HLVSFUAOYOBWCL-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850141 1088474920 /nfs/dbraw/zinc/47/49/20/1088474920.db2.gz HLVSFUAOYOBWCL-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C(C)C)CC1 ZINC000957720123 1088572041 /nfs/dbraw/zinc/57/20/41/1088572041.db2.gz BXXSBVGEAPEKIR-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)C(C)C)CC1 ZINC000957720123 1088572060 /nfs/dbraw/zinc/57/20/60/1088572060.db2.gz BXXSBVGEAPEKIR-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C(C)C)CC1 ZINC000957720123 1088572075 /nfs/dbraw/zinc/57/20/75/1088572075.db2.gz BXXSBVGEAPEKIR-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)C(C)C)CC1 ZINC000957720123 1088572087 /nfs/dbraw/zinc/57/20/87/1088572087.db2.gz BXXSBVGEAPEKIR-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406452 1090290709 /nfs/dbraw/zinc/29/07/09/1090290709.db2.gz PIXKCIBXFNGEHR-KBAYOESNSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406452 1090290716 /nfs/dbraw/zinc/29/07/16/1090290716.db2.gz PIXKCIBXFNGEHR-KBAYOESNSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406452 1090290719 /nfs/dbraw/zinc/29/07/19/1090290719.db2.gz PIXKCIBXFNGEHR-KBAYOESNSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752184 1090424245 /nfs/dbraw/zinc/42/42/45/1090424245.db2.gz YKWAVXBSBMWMAP-QZTJIDSGSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410394718 1090611677 /nfs/dbraw/zinc/61/16/77/1090611677.db2.gz XWNLVWLKXFZIFF-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001275032676 1091521788 /nfs/dbraw/zinc/52/17/88/1091521788.db2.gz YTOCNNQBLHMVLU-UHFFFAOYSA-N 2 1 321.428 2.379 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001275179643 1091603539 /nfs/dbraw/zinc/60/35/39/1091603539.db2.gz JSRNGYOFWPTDSQ-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001275233086 1091626276 /nfs/dbraw/zinc/62/62/76/1091626276.db2.gz NQPHCLFHSTUOSI-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273487438 1091877653 /nfs/dbraw/zinc/87/76/53/1091877653.db2.gz KHBOWFSWNWPXQH-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886221 1091980510 /nfs/dbraw/zinc/98/05/10/1091980510.db2.gz KOIRDUSPXGSVQZ-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1CC ZINC001446017159 1092075095 /nfs/dbraw/zinc/07/50/95/1092075095.db2.gz SJUXDCKRXJKHJB-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275928561 1092324235 /nfs/dbraw/zinc/32/42/35/1092324235.db2.gz OCIGKKRDIVAGMZ-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928561 1092324248 /nfs/dbraw/zinc/32/42/48/1092324248.db2.gz OCIGKKRDIVAGMZ-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928561 1092324261 /nfs/dbraw/zinc/32/42/61/1092324261.db2.gz OCIGKKRDIVAGMZ-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C#CCCC[N@H+]1C[C@@H]2CCN(Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414779 /nfs/dbraw/zinc/41/47/79/1092414779.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 1 314.477 2.460 20 30 DEEDMP C#CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414785 /nfs/dbraw/zinc/41/47/85/1092414785.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 1 314.477 2.460 20 30 DEEDMP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414791 /nfs/dbraw/zinc/41/47/91/1092414791.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 1 314.477 2.460 20 30 DEEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414799 /nfs/dbraw/zinc/41/47/99/1092414799.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 1 314.477 2.460 20 30 DEEDMP C#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3nccn3CC)CC[C@@H]2C1 ZINC001275975375 1092414807 /nfs/dbraw/zinc/41/48/07/1092414807.db2.gz AMCBBQTXXFCAFB-HDICACEKSA-N 2 1 314.477 2.460 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011052 1092504707 /nfs/dbraw/zinc/50/47/07/1092504707.db2.gz KZYHYBVHJFXQDG-DLBZAZTESA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691713838 1138209056 /nfs/dbraw/zinc/20/90/56/1138209056.db2.gz VYVDMSFXLCAGMY-WCXIOVBPSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316667123 1140166005 /nfs/dbraw/zinc/16/60/05/1140166005.db2.gz PFNMDBZTEDXGGN-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482848 1140345332 /nfs/dbraw/zinc/34/53/32/1140345332.db2.gz MTBXCASRINKQSO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001319021371 1140491874 /nfs/dbraw/zinc/49/18/74/1140491874.db2.gz YFFVCXHHJRXUBB-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001320181786 1140835426 /nfs/dbraw/zinc/83/54/26/1140835426.db2.gz DEZORZQLNXEMGN-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001278496202 1141650058 /nfs/dbraw/zinc/65/00/58/1141650058.db2.gz YNFIHHUURUMKGU-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP Cc1cc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)ccc1C#N ZINC001248895152 1141832020 /nfs/dbraw/zinc/83/20/20/1141832020.db2.gz ANKFHIFZQALPRU-OAHLLOKOSA-N 2 1 311.389 2.306 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894012 /nfs/dbraw/zinc/89/40/12/1141894012.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894014 /nfs/dbraw/zinc/89/40/14/1141894014.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001323860195 1141894015 /nfs/dbraw/zinc/89/40/15/1141894015.db2.gz OQVIDTZNUXKYQK-GOSISDBHSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001323873523 1141895532 /nfs/dbraw/zinc/89/55/32/1141895532.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001323873523 1141895534 /nfs/dbraw/zinc/89/55/34/1141895534.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001323873523 1141895535 /nfs/dbraw/zinc/89/55/35/1141895535.db2.gz PEXVNAGHWISDNO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001324260270 1142043237 /nfs/dbraw/zinc/04/32/37/1142043237.db2.gz GFRQJQOIUVEBDU-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324286662 1142048514 /nfs/dbraw/zinc/04/85/14/1142048514.db2.gz RPAPELFLPQBGAD-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278579577 1142234696 /nfs/dbraw/zinc/23/46/96/1142234696.db2.gz LNQMSHRRXBRHII-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278685529 1142827703 /nfs/dbraw/zinc/82/77/03/1142827703.db2.gz AEYGEHCOSLVGPU-AEFFLSMTSA-N 2 1 309.498 2.367 20 30 DEEDMP C[C@]1(C#N)CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254041635 1143030739 /nfs/dbraw/zinc/03/07/39/1143030739.db2.gz MTBCENDCIDWPKI-GOSISDBHSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664779 1143307440 /nfs/dbraw/zinc/30/74/40/1143307440.db2.gz XJGXNWFZWOYGCQ-HOTGVXAUSA-N 2 1 313.449 2.029 20 30 DEEDMP N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664773 1143307488 /nfs/dbraw/zinc/30/74/88/1143307488.db2.gz XJGXNWFZWOYGCQ-CVEARBPZSA-N 2 1 313.449 2.029 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256074024 1143828056 /nfs/dbraw/zinc/82/80/56/1143828056.db2.gz ILNLJRBGGXTRML-UHFFFAOYSA-N 2 1 321.465 2.237 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001278911502 1143830240 /nfs/dbraw/zinc/83/02/40/1143830240.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001278911502 1143830242 /nfs/dbraw/zinc/83/02/42/1143830242.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001278911502 1143830244 /nfs/dbraw/zinc/83/02/44/1143830244.db2.gz BDFNUDQDWBXITC-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001264372558 1144517244 /nfs/dbraw/zinc/51/72/44/1144517244.db2.gz HSRPRALHRHKZNI-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001264372558 1144517248 /nfs/dbraw/zinc/51/72/48/1144517248.db2.gz HSRPRALHRHKZNI-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264372558 1144517254 /nfs/dbraw/zinc/51/72/54/1144517254.db2.gz HSRPRALHRHKZNI-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380953 1144522279 /nfs/dbraw/zinc/52/22/79/1144522279.db2.gz UITPFWMMZZPLMH-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265309936 1144689632 /nfs/dbraw/zinc/68/96/32/1144689632.db2.gz DCNRCIAHULARDD-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001265334339 1144695311 /nfs/dbraw/zinc/69/53/11/1144695311.db2.gz PAKVGQKLYFEIRZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559634 1144897366 /nfs/dbraw/zinc/89/73/66/1144897366.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559634 1144897367 /nfs/dbraw/zinc/89/73/67/1144897367.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559634 1144897368 /nfs/dbraw/zinc/89/73/68/1144897368.db2.gz XYXCFRFOZFXZCS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001284104932 1145800106 /nfs/dbraw/zinc/80/01/06/1145800106.db2.gz ZXIRSEKEZLFZOL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316949519 1147574435 /nfs/dbraw/zinc/57/44/35/1147574435.db2.gz UGSMXAODOQHZDC-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001316773736 1147577971 /nfs/dbraw/zinc/57/79/71/1147577971.db2.gz PAMBBKTXDDJKNQ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316951366 1147637936 /nfs/dbraw/zinc/63/79/36/1147637936.db2.gz JATDNHGVZQUEFS-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317155846 1147667763 /nfs/dbraw/zinc/66/77/63/1147667763.db2.gz PRTIHHRBJLDENB-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317172382 1147670317 /nfs/dbraw/zinc/67/03/17/1147670317.db2.gz IUSBPAYOYGZEAS-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201944 1147675590 /nfs/dbraw/zinc/67/55/90/1147675590.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201944 1147675592 /nfs/dbraw/zinc/67/55/92/1147675592.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201944 1147675594 /nfs/dbraw/zinc/67/55/94/1147675594.db2.gz DPQROPZZXKZDNU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317204094 1147675943 /nfs/dbraw/zinc/67/59/43/1147675943.db2.gz ATKTUXHJPYFZLA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204094 1147675945 /nfs/dbraw/zinc/67/59/45/1147675945.db2.gz ATKTUXHJPYFZLA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204094 1147675947 /nfs/dbraw/zinc/67/59/47/1147675947.db2.gz ATKTUXHJPYFZLA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317842537 1147756903 /nfs/dbraw/zinc/75/69/03/1147756903.db2.gz TYZONKQSJBGOLB-INIZCTEOSA-N 2 1 324.428 2.060 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897214 1148015460 /nfs/dbraw/zinc/01/54/60/1148015460.db2.gz JQUIZCJRHYMEGV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326271756 1148067137 /nfs/dbraw/zinc/06/71/37/1148067137.db2.gz CDKQCJGXQJRWCG-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001326526100 1148132821 /nfs/dbraw/zinc/13/28/21/1148132821.db2.gz ZXIMROKUOBUACX-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326602642 1148159060 /nfs/dbraw/zinc/15/90/60/1148159060.db2.gz FEYQBCKFZVGXTM-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184308 356044473 /nfs/dbraw/zinc/04/44/73/356044473.db2.gz RKFJIWGSGASZAO-INIZCTEOSA-N 2 1 323.444 2.390 20 30 DEEDMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436635 358270374 /nfs/dbraw/zinc/27/03/74/358270374.db2.gz PALBODIEGXIFBF-MRXNPFEDSA-N 2 1 308.470 2.121 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602561170 360433905 /nfs/dbraw/zinc/43/39/05/360433905.db2.gz WKMHQAONWHMVDT-SJLPKXTDSA-N 2 1 301.434 2.153 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602561170 360433907 /nfs/dbraw/zinc/43/39/07/360433907.db2.gz WKMHQAONWHMVDT-SJLPKXTDSA-N 2 1 301.434 2.153 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072472 /nfs/dbraw/zinc/07/24/72/243072472.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072481 /nfs/dbraw/zinc/07/24/81/243072481.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072487 /nfs/dbraw/zinc/07/24/87/243072487.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072492 /nfs/dbraw/zinc/07/24/92/243072492.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532267 243072496 /nfs/dbraw/zinc/07/24/96/243072496.db2.gz KQUGHIOFXCHFEM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000537661774 285010220 /nfs/dbraw/zinc/01/02/20/285010220.db2.gz UWFCJGOCWOQQEC-INIZCTEOSA-N 2 1 318.490 2.220 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000159251942 197340427 /nfs/dbraw/zinc/34/04/27/197340427.db2.gz XQXCTBTXZBSGCW-QGZVFWFLSA-N 2 1 322.497 2.009 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001422719261 1172828816 /nfs/dbraw/zinc/82/88/16/1172828816.db2.gz MTIYMZPLYFLHFK-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001422719261 1172828819 /nfs/dbraw/zinc/82/88/19/1172828819.db2.gz MTIYMZPLYFLHFK-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)OCC)CC2)CC1 ZINC000089152521 401937339 /nfs/dbraw/zinc/93/73/39/401937339.db2.gz QAYVZOHIOMIJLE-UHFFFAOYSA-N 2 1 309.454 2.237 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C[C@@H]1C ZINC000103911935 402195004 /nfs/dbraw/zinc/19/50/04/402195004.db2.gz NSGWWZGYTHWODS-MJBXVCDLSA-N 2 1 306.479 2.458 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000104180778 402199681 /nfs/dbraw/zinc/19/96/81/402199681.db2.gz RLWQHPYEYAXVLD-AWEZNQCLSA-N 2 1 308.495 2.439 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000106272042 402212379 /nfs/dbraw/zinc/21/23/79/402212379.db2.gz UCXDMIXZOVXINX-UHFFFAOYSA-N 2 1 322.497 2.201 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160687330 402357177 /nfs/dbraw/zinc/35/71/77/402357177.db2.gz WTJMKYDJFWXESQ-SNVBAGLBSA-N 2 1 316.327 2.406 20 30 DEEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000177380476 402395837 /nfs/dbraw/zinc/39/58/37/402395837.db2.gz VQQQVTADFXSGJL-UHFFFAOYSA-N 2 1 300.450 2.016 20 30 DEEDMP COc1ccccc1[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000264110773 402839908 /nfs/dbraw/zinc/83/99/08/402839908.db2.gz QURADEQAPQPUCJ-HNNXBMFYSA-N 2 1 304.438 2.099 20 30 DEEDMP COc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)cc1 ZINC000273390096 403000606 /nfs/dbraw/zinc/00/06/06/403000606.db2.gz ZUXIQFMRXIOMSV-KRWDZBQOSA-N 2 1 316.449 2.241 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548639 403011736 /nfs/dbraw/zinc/01/17/36/403011736.db2.gz IXHKGBWEMVQJLA-XIRDDKMYSA-N 2 1 318.440 2.460 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000345747059 403466898 /nfs/dbraw/zinc/46/68/98/403466898.db2.gz AZCDUQLDJQCICF-JKSUJKDBSA-N 2 1 322.497 2.151 20 30 DEEDMP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343922864 403792728 /nfs/dbraw/zinc/79/27/28/403792728.db2.gz LEYJNNIKSRXOLY-QFBILLFUSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343922864 403792733 /nfs/dbraw/zinc/79/27/33/403792733.db2.gz LEYJNNIKSRXOLY-QFBILLFUSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343924296 403794548 /nfs/dbraw/zinc/79/45/48/403794548.db2.gz MVONHOPJXYOJNG-VQIMIIECSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343924296 403794550 /nfs/dbraw/zinc/79/45/50/403794550.db2.gz MVONHOPJXYOJNG-VQIMIIECSA-N 2 1 312.461 2.016 20 30 DEEDMP C=CCN1CC[C@H]([NH+]2CCC(C[N@H+](C)CCCC)CC2)C1=O ZINC000337129333 403967442 /nfs/dbraw/zinc/96/74/42/403967442.db2.gz IKRIIAYXKAZZHT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1(C(N)=O)CCCC1 ZINC000329161739 404250056 /nfs/dbraw/zinc/25/00/56/404250056.db2.gz ZEZVYUMNDUYQFY-UHFFFAOYSA-N 2 1 322.453 2.350 20 30 DEEDMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1(C(N)=O)CCCC1 ZINC000329161739 404250063 /nfs/dbraw/zinc/25/00/63/404250063.db2.gz ZEZVYUMNDUYQFY-UHFFFAOYSA-N 2 1 322.453 2.350 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCN(c2nccn2C)CC1 ZINC000330049044 404537774 /nfs/dbraw/zinc/53/77/74/404537774.db2.gz JBCPSKIFPYCFPN-OKILXGFUSA-N 2 1 319.453 2.218 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330049044 404537786 /nfs/dbraw/zinc/53/77/86/404537786.db2.gz JBCPSKIFPYCFPN-OKILXGFUSA-N 2 1 319.453 2.218 20 30 DEEDMP C=CCNC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357082746 404727443 /nfs/dbraw/zinc/72/74/43/404727443.db2.gz JIVWZDIHZVWHPH-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424136614 405017871 /nfs/dbraw/zinc/01/78/71/405017871.db2.gz RADGFBOVDDMNML-QGZVFWFLSA-N 2 1 316.449 2.164 20 30 DEEDMP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155989 405025583 /nfs/dbraw/zinc/02/55/83/405025583.db2.gz OMLRALODKHCEAC-RDJZCZTQSA-N 2 1 316.449 2.034 20 30 DEEDMP Cn1c[nH+]cc1CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570814219 406443203 /nfs/dbraw/zinc/44/32/03/406443203.db2.gz XXNWVSMLJRPDFS-UHFFFAOYSA-N 2 1 312.417 2.373 20 30 DEEDMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570814219 406443208 /nfs/dbraw/zinc/44/32/08/406443208.db2.gz XXNWVSMLJRPDFS-UHFFFAOYSA-N 2 1 312.417 2.373 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000491814057 406733374 /nfs/dbraw/zinc/73/33/74/406733374.db2.gz CGZQXBYZPXWPRO-FQEVSTJZSA-N 2 1 310.441 2.288 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000491814057 406733379 /nfs/dbraw/zinc/73/33/79/406733379.db2.gz CGZQXBYZPXWPRO-FQEVSTJZSA-N 2 1 310.441 2.288 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805087 406897184 /nfs/dbraw/zinc/89/71/84/406897184.db2.gz MOTMSIYQZMJMSO-CFVMTHIKSA-N 2 1 321.490 2.367 20 30 DEEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422973496 230301995 /nfs/dbraw/zinc/30/19/95/230301995.db2.gz BYOOIJRFPAANGL-YSVLISHTSA-N 2 1 316.424 2.396 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648773441 424904248 /nfs/dbraw/zinc/90/42/48/424904248.db2.gz JYWZNEJAVLMSAA-CQSZACIVSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763419 425640576 /nfs/dbraw/zinc/64/05/76/425640576.db2.gz AAQLQOITFKRMMV-DLBZAZTESA-N 2 1 324.513 2.256 20 30 DEEDMP C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763419 425640580 /nfs/dbraw/zinc/64/05/80/425640580.db2.gz AAQLQOITFKRMMV-DLBZAZTESA-N 2 1 324.513 2.256 20 30 DEEDMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263096540 277073073 /nfs/dbraw/zinc/07/30/73/277073073.db2.gz JLGWQGIFXLDGPI-ZBFHGGJFSA-N 2 1 316.449 2.146 20 30 DEEDMP C[C@@H](CCC#N)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000299425217 278226360 /nfs/dbraw/zinc/22/63/60/278226360.db2.gz XFFJFCFGHDUVFT-SFHVURJKSA-N 2 1 314.477 2.428 20 30 DEEDMP C[C@@H](CCC#N)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000299425217 278226362 /nfs/dbraw/zinc/22/63/62/278226362.db2.gz XFFJFCFGHDUVFT-SFHVURJKSA-N 2 1 314.477 2.428 20 30 DEEDMP CN(CCC[N@@H+](C)Cc1ccc(CC#N)cc1)CC[NH+](C)C ZINC000344066315 289132950 /nfs/dbraw/zinc/13/29/50/289132950.db2.gz OUWXFNNCUVANKP-UHFFFAOYSA-N 2 1 302.466 2.068 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329860302 1149005413 /nfs/dbraw/zinc/00/54/13/1149005413.db2.gz BOVWALOTJPYRMT-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001330210364 1149070863 /nfs/dbraw/zinc/07/08/63/1149070863.db2.gz OWJIPVVOXPEJGF-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001330210364 1149070870 /nfs/dbraw/zinc/07/08/70/1149070870.db2.gz OWJIPVVOXPEJGF-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001330210364 1149070875 /nfs/dbraw/zinc/07/08/75/1149070875.db2.gz OWJIPVVOXPEJGF-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)c1cccc(OC)c1 ZINC000262472241 528234806 /nfs/dbraw/zinc/23/48/06/528234806.db2.gz BJAMXEULOFVQFC-CJNGLKHVSA-N 2 1 304.438 2.015 20 30 DEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000267448660 528997124 /nfs/dbraw/zinc/99/71/24/528997124.db2.gz QTONVUZGVRKGQO-CQSZACIVSA-N 2 1 320.437 2.305 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001379355203 1152614492 /nfs/dbraw/zinc/61/44/92/1152614492.db2.gz CFUULZMDKAMZOY-CHWSQXEVSA-N 2 1 312.845 2.243 20 30 DEEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327982419 1148691817 /nfs/dbraw/zinc/69/18/17/1148691817.db2.gz QIYWLTVCRQRJSN-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381173563 1152936354 /nfs/dbraw/zinc/93/63/54/1152936354.db2.gz NGSYFKXWNBXXIC-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381173563 1152936357 /nfs/dbraw/zinc/93/63/57/1152936357.db2.gz NGSYFKXWNBXXIC-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696939 625392885 /nfs/dbraw/zinc/39/28/85/625392885.db2.gz YZJDZMUUZUVCHC-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023762226 625428039 /nfs/dbraw/zinc/42/80/39/625428039.db2.gz UQWOFJDKJKQSNF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023762226 625428041 /nfs/dbraw/zinc/42/80/41/625428041.db2.gz UQWOFJDKJKQSNF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459486 625453220 /nfs/dbraw/zinc/45/32/20/625453220.db2.gz OKHPGJCAMPFEPY-GJZGRUSLSA-N 2 1 324.428 2.417 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316459 623395648 /nfs/dbraw/zinc/39/56/48/623395648.db2.gz DCLIUJFIXVFPJE-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636348 623872095 /nfs/dbraw/zinc/87/20/95/623872095.db2.gz POSAIMZYDWLCTC-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636348 623872098 /nfs/dbraw/zinc/87/20/98/623872098.db2.gz POSAIMZYDWLCTC-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845748 624642850 /nfs/dbraw/zinc/64/28/50/624642850.db2.gz ZYFMWBSCPUEUJE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845748 624642853 /nfs/dbraw/zinc/64/28/53/624642853.db2.gz ZYFMWBSCPUEUJE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845748 624642856 /nfs/dbraw/zinc/64/28/56/624642856.db2.gz ZYFMWBSCPUEUJE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998889604 634437729 /nfs/dbraw/zinc/43/77/29/634437729.db2.gz WSNPZKBTWVFRJK-KLAILNCOSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007495109 625269524 /nfs/dbraw/zinc/26/95/24/625269524.db2.gz IMHMQWQPSBUWTL-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495109 625269525 /nfs/dbraw/zinc/26/95/25/625269525.db2.gz IMHMQWQPSBUWTL-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495109 625269528 /nfs/dbraw/zinc/26/95/28/625269528.db2.gz IMHMQWQPSBUWTL-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024446379 625769533 /nfs/dbraw/zinc/76/95/33/625769533.db2.gz CFNUBMAAIUVZCB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024446379 625769537 /nfs/dbraw/zinc/76/95/37/625769537.db2.gz CFNUBMAAIUVZCB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024446379 625769543 /nfs/dbraw/zinc/76/95/43/625769543.db2.gz CFNUBMAAIUVZCB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000020104 634729208 /nfs/dbraw/zinc/72/92/08/634729208.db2.gz KGELWFZQZIUQRR-KKUMJFAQSA-N 2 1 313.873 2.050 20 30 DEEDMP C[C@@H]1CC(=NN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000734296393 633352533 /nfs/dbraw/zinc/35/25/33/633352533.db2.gz QRVJQOXPRIPVTM-MRXNPFEDSA-N 2 1 300.450 2.274 20 30 DEEDMP C[C@@H]1CC(=NN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000734296393 633352536 /nfs/dbraw/zinc/35/25/36/633352536.db2.gz QRVJQOXPRIPVTM-MRXNPFEDSA-N 2 1 300.450 2.274 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000996715928 633366879 /nfs/dbraw/zinc/36/68/79/633366879.db2.gz GWDAWWMEVIDLQW-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048494 633398260 /nfs/dbraw/zinc/39/82/60/633398260.db2.gz IORFZUQSLVXIJF-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048494 633398264 /nfs/dbraw/zinc/39/82/64/633398264.db2.gz IORFZUQSLVXIJF-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975104072 633420653 /nfs/dbraw/zinc/42/06/53/633420653.db2.gz RUIJLWDOYATFDI-AWEZNQCLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975104072 633420656 /nfs/dbraw/zinc/42/06/56/633420656.db2.gz RUIJLWDOYATFDI-AWEZNQCLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001009633075 633766366 /nfs/dbraw/zinc/76/63/66/633766366.db2.gz GGJUAMLBMDBBPG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009633075 633766369 /nfs/dbraw/zinc/76/63/69/633766369.db2.gz GGJUAMLBMDBBPG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009633075 633766372 /nfs/dbraw/zinc/76/63/72/633766372.db2.gz GGJUAMLBMDBBPG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102322 634141499 /nfs/dbraw/zinc/14/14/99/634141499.db2.gz LYXBMSVXZYGLRK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562489 634153193 /nfs/dbraw/zinc/15/31/93/634153193.db2.gz PUMOYAAYIHEHPY-LSDHHAIUSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562489 634153195 /nfs/dbraw/zinc/15/31/95/634153195.db2.gz PUMOYAAYIHEHPY-LSDHHAIUSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175341 634161168 /nfs/dbraw/zinc/16/11/68/634161168.db2.gz BSBRWVRKFHWNPF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000998194242 634166034 /nfs/dbraw/zinc/16/60/34/634166034.db2.gz CQPMOXIHTPKCEO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601269 634259599 /nfs/dbraw/zinc/25/95/99/634259599.db2.gz WVMQFLKNOGPDTH-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601269 634259605 /nfs/dbraw/zinc/25/96/05/634259605.db2.gz WVMQFLKNOGPDTH-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168304 634872637 /nfs/dbraw/zinc/87/26/37/634872637.db2.gz MNDVUCAHEOCUEV-YESZJQIVSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168304 634872639 /nfs/dbraw/zinc/87/26/39/634872639.db2.gz MNDVUCAHEOCUEV-YESZJQIVSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168304 634872641 /nfs/dbraw/zinc/87/26/41/634872641.db2.gz MNDVUCAHEOCUEV-YESZJQIVSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168301 634872879 /nfs/dbraw/zinc/87/28/79/634872879.db2.gz MNDVUCAHEOCUEV-GVDBMIGSSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168301 634872881 /nfs/dbraw/zinc/87/28/81/634872881.db2.gz MNDVUCAHEOCUEV-GVDBMIGSSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168301 634872882 /nfs/dbraw/zinc/87/28/82/634872882.db2.gz MNDVUCAHEOCUEV-GVDBMIGSSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ncc[nH]3)C[C@@H]2C1 ZINC000980232334 634907183 /nfs/dbraw/zinc/90/71/83/634907183.db2.gz WGYIKGYKTKZLNR-ARFHVFGLSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027920364 634967152 /nfs/dbraw/zinc/96/71/52/634967152.db2.gz HYGWZTIPVJUREH-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930366 634997028 /nfs/dbraw/zinc/99/70/28/634997028.db2.gz OIGNPCJWFOXLNW-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930366 634997030 /nfs/dbraw/zinc/99/70/30/634997030.db2.gz OIGNPCJWFOXLNW-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930366 634997032 /nfs/dbraw/zinc/99/70/32/634997032.db2.gz OIGNPCJWFOXLNW-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963709 635096905 /nfs/dbraw/zinc/09/69/05/635096905.db2.gz CZFHCXSZCOCWMM-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165102 635344588 /nfs/dbraw/zinc/34/45/88/635344588.db2.gz QIUQQJQJIUHYRL-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370160 635480091 /nfs/dbraw/zinc/48/00/91/635480091.db2.gz HLRDZZXZFNDAOK-IRXDYDNUSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981894037 635715431 /nfs/dbraw/zinc/71/54/31/635715431.db2.gz XXIPACTVDRGVKR-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981894037 635715434 /nfs/dbraw/zinc/71/54/34/635715434.db2.gz XXIPACTVDRGVKR-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235116 635936670 /nfs/dbraw/zinc/93/66/70/635936670.db2.gz QLEJXBCYMDVJRU-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296118 635953550 /nfs/dbraw/zinc/95/35/50/635953550.db2.gz JXSWVWFAXYFHCP-QRQLOZEOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308449 635961585 /nfs/dbraw/zinc/96/15/85/635961585.db2.gz ZGEPZSFPGLZZDA-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308449 635961586 /nfs/dbraw/zinc/96/15/86/635961586.db2.gz ZGEPZSFPGLZZDA-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308449 635961587 /nfs/dbraw/zinc/96/15/87/635961587.db2.gz ZGEPZSFPGLZZDA-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631805 636008031 /nfs/dbraw/zinc/00/80/31/636008031.db2.gz VKILRONXFDDMTK-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389642 636142497 /nfs/dbraw/zinc/14/24/97/636142497.db2.gz VHSGNCRGIACEQZ-NCXUSEDFSA-N 2 1 313.445 2.128 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386579 636151815 /nfs/dbraw/zinc/15/18/15/636151815.db2.gz GKIXFEJXKFYEBU-QBPKDAKJSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560118 636265303 /nfs/dbraw/zinc/26/53/03/636265303.db2.gz DFPZSTZJUCKQKF-RYQLBKOJSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571362 636342884 /nfs/dbraw/zinc/34/28/84/636342884.db2.gz AWCYKCBTDSCYAE-CQSZACIVSA-N 2 1 321.490 2.438 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573061 636349467 /nfs/dbraw/zinc/34/94/67/636349467.db2.gz IHMADUFTYMMTND-AWEZNQCLSA-N 2 1 321.490 2.438 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004489027 636466883 /nfs/dbraw/zinc/46/68/83/636466883.db2.gz KXVYQRFSHSGYMF-KRWDZBQOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004489027 636466885 /nfs/dbraw/zinc/46/68/85/636466885.db2.gz KXVYQRFSHSGYMF-KRWDZBQOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028646977 636543913 /nfs/dbraw/zinc/54/39/13/636543913.db2.gz CAEJBVAZNUUYQJ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646977 636543917 /nfs/dbraw/zinc/54/39/17/636543917.db2.gz CAEJBVAZNUUYQJ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646977 636543921 /nfs/dbraw/zinc/54/39/21/636543921.db2.gz CAEJBVAZNUUYQJ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784718 636652698 /nfs/dbraw/zinc/65/26/98/636652698.db2.gz QHVPYDHHTGMQQB-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005388714 636729270 /nfs/dbraw/zinc/72/92/70/636729270.db2.gz AXDWKZOUZLDJAB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870148 636802075 /nfs/dbraw/zinc/80/20/75/636802075.db2.gz LNIIFWBVOAEMND-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001005713655 636827904 /nfs/dbraw/zinc/82/79/04/636827904.db2.gz OALMBHQELKNKGM-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716719 636886330 /nfs/dbraw/zinc/88/63/30/636886330.db2.gz DPXJYCKBTPGLKJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716719 636886336 /nfs/dbraw/zinc/88/63/36/636886336.db2.gz DPXJYCKBTPGLKJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716719 636886340 /nfs/dbraw/zinc/88/63/40/636886340.db2.gz DPXJYCKBTPGLKJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335808 637122196 /nfs/dbraw/zinc/12/21/96/637122196.db2.gz DULFZHDOMJNLLX-HUUCEWRRSA-N 2 1 309.479 2.190 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335808 637122199 /nfs/dbraw/zinc/12/21/99/637122199.db2.gz DULFZHDOMJNLLX-HUUCEWRRSA-N 2 1 309.479 2.190 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985695472 639587935 /nfs/dbraw/zinc/58/79/35/639587935.db2.gz WBAABVYRKLATBD-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985695472 639587939 /nfs/dbraw/zinc/58/79/39/639587939.db2.gz WBAABVYRKLATBD-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985695472 639587944 /nfs/dbraw/zinc/58/79/44/639587944.db2.gz WBAABVYRKLATBD-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990634114 641564103 /nfs/dbraw/zinc/56/41/03/641564103.db2.gz BGYNZYNERVFXPW-LZLYRXPVSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990634114 641564106 /nfs/dbraw/zinc/56/41/06/641564106.db2.gz BGYNZYNERVFXPW-LZLYRXPVSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990634114 641564111 /nfs/dbraw/zinc/56/41/11/641564111.db2.gz BGYNZYNERVFXPW-LZLYRXPVSA-N 2 1 305.466 2.158 20 30 DEEDMP N#Cc1ccc(NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903229491 643299411 /nfs/dbraw/zinc/29/94/11/643299411.db2.gz ZQDOVYFXEHXCCM-ZXFUBFMLSA-N 2 1 311.433 2.113 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905095031 643798655 /nfs/dbraw/zinc/79/86/55/643798655.db2.gz HIXFENZVQDSUPL-OALUTQOASA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913100095 646268791 /nfs/dbraw/zinc/26/87/91/646268791.db2.gz PMWUPVBDOGKSSI-CRAIPNDOSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992141093 646870747 /nfs/dbraw/zinc/87/07/47/646870747.db2.gz GNSVATOETWUAEL-AEFFLSMTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169355 646882389 /nfs/dbraw/zinc/88/23/89/646882389.db2.gz QPADAFCNQRKGKE-MAUKXSAKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169355 646882394 /nfs/dbraw/zinc/88/23/94/646882394.db2.gz QPADAFCNQRKGKE-MAUKXSAKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992284828 646929890 /nfs/dbraw/zinc/92/98/90/646929890.db2.gz LZEFNMBTGBFOFA-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992359576 646958372 /nfs/dbraw/zinc/95/83/72/646958372.db2.gz GEEZTWFCZZURDA-FUHWJXTLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992359576 646958374 /nfs/dbraw/zinc/95/83/74/646958374.db2.gz GEEZTWFCZZURDA-FUHWJXTLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992403072 646972040 /nfs/dbraw/zinc/97/20/40/646972040.db2.gz ADUAJUNDZBXECL-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992403072 646972044 /nfs/dbraw/zinc/97/20/44/646972044.db2.gz ADUAJUNDZBXECL-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992403072 646972045 /nfs/dbraw/zinc/97/20/45/646972045.db2.gz ADUAJUNDZBXECL-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818985844 647557938 /nfs/dbraw/zinc/55/79/38/647557938.db2.gz XZQZRUYBZMYWNY-AEFFLSMTSA-N 2 1 301.434 2.302 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993534462 647692197 /nfs/dbraw/zinc/69/21/97/647692197.db2.gz YJANBJPHBWLIEM-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H](C)C2)CC1 ZINC000948069525 648327245 /nfs/dbraw/zinc/32/72/45/648327245.db2.gz IGUWHHNCPUSZIU-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940738041 648935237 /nfs/dbraw/zinc/93/52/37/648935237.db2.gz VFTCBVLAHYKXER-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738041 648935241 /nfs/dbraw/zinc/93/52/41/648935241.db2.gz VFTCBVLAHYKXER-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738041 648935244 /nfs/dbraw/zinc/93/52/44/648935244.db2.gz VFTCBVLAHYKXER-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867911 648958504 /nfs/dbraw/zinc/95/85/04/648958504.db2.gz NOUVEQTXISUJKR-QGZVFWFLSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994487 648980156 /nfs/dbraw/zinc/98/01/56/648980156.db2.gz WCZKEJZURUPMDF-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372327 649097053 /nfs/dbraw/zinc/09/70/53/649097053.db2.gz CEGDYHAYAFZRPT-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203905 649183254 /nfs/dbraw/zinc/18/32/54/649183254.db2.gz LIYNYXLTKJWPOA-CXAGYDPISA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256100 649191876 /nfs/dbraw/zinc/19/18/76/649191876.db2.gz CVTBQBBVEPOSEU-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435986 649207517 /nfs/dbraw/zinc/20/75/17/649207517.db2.gz QREILWNQWLNECG-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435986 649207519 /nfs/dbraw/zinc/20/75/19/649207519.db2.gz QREILWNQWLNECG-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435986 649207520 /nfs/dbraw/zinc/20/75/20/649207520.db2.gz QREILWNQWLNECG-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555229 649245857 /nfs/dbraw/zinc/24/58/57/649245857.db2.gz GRZBPQHMOKXSHU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047664 649475457 /nfs/dbraw/zinc/47/54/57/649475457.db2.gz UYPURBAWDIFDQS-YJBOKZPZSA-N 2 1 319.493 2.121 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000108428856 651630968 /nfs/dbraw/zinc/63/09/68/651630968.db2.gz CKQGVIBCIRDIGD-QGZVFWFLSA-N 2 1 300.450 2.468 20 30 DEEDMP CC[N@@H+](CCCNC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852895550 652477040 /nfs/dbraw/zinc/47/70/40/652477040.db2.gz DIYUFOPIJDXUIF-UHFFFAOYSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001393970312 1158111888 /nfs/dbraw/zinc/11/18/88/1158111888.db2.gz CDMNZRDNQRUBAH-QWHCGFSZSA-N 2 1 303.878 2.200 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001393970318 1158111958 /nfs/dbraw/zinc/11/19/58/1158111958.db2.gz CDMNZRDNQRUBAH-STQMWFEESA-N 2 1 303.878 2.200 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCSCC(C)C ZINC000305286472 685286886 /nfs/dbraw/zinc/28/68/86/685286886.db2.gz FDVXWRYYCRICIZ-AWEZNQCLSA-N 2 1 300.516 2.154 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197938 693878797 /nfs/dbraw/zinc/87/87/97/693878797.db2.gz LZXYETNYJREAPQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197938 693878800 /nfs/dbraw/zinc/87/88/00/693878800.db2.gz LZXYETNYJREAPQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197938 693878804 /nfs/dbraw/zinc/87/88/04/693878804.db2.gz LZXYETNYJREAPQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281103 693913327 /nfs/dbraw/zinc/91/33/27/693913327.db2.gz BITPJRPMXOYQEM-KSSFIOAISA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281103 693913329 /nfs/dbraw/zinc/91/33/29/693913329.db2.gz BITPJRPMXOYQEM-KSSFIOAISA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281103 693913334 /nfs/dbraw/zinc/91/33/34/693913334.db2.gz BITPJRPMXOYQEM-KSSFIOAISA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281103 693913335 /nfs/dbraw/zinc/91/33/35/693913335.db2.gz BITPJRPMXOYQEM-KSSFIOAISA-N 2 1 313.445 2.002 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000303781073 685233958 /nfs/dbraw/zinc/23/39/58/685233958.db2.gz MBGDDFOGCLZYBF-RDJZCZTQSA-N 2 1 302.466 2.206 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1 ZINC000303891934 685238472 /nfs/dbraw/zinc/23/84/72/685238472.db2.gz RAWNOPLQZHDZBK-CQSZACIVSA-N 2 1 324.856 2.107 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000303899348 685238908 /nfs/dbraw/zinc/23/89/08/685238908.db2.gz ROVWLLUYKWFFLT-QGZVFWFLSA-N 2 1 300.450 2.304 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796655 687425545 /nfs/dbraw/zinc/42/55/45/687425545.db2.gz ZGCDGJGOBLLKTD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016329687 687593192 /nfs/dbraw/zinc/59/31/92/687593192.db2.gz MGYAAWSKWMHTKM-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651655 687674992 /nfs/dbraw/zinc/67/49/92/687674992.db2.gz JRRLNSQDVDUKSP-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016790860 687703607 /nfs/dbraw/zinc/70/36/07/687703607.db2.gz QOTFFFXPGKWCBP-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016830542 687713047 /nfs/dbraw/zinc/71/30/47/687713047.db2.gz SCNNKNKXECMQNS-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550223 687909422 /nfs/dbraw/zinc/90/94/22/687909422.db2.gz URAKLMPODFGNGM-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550223 687909425 /nfs/dbraw/zinc/90/94/25/687909425.db2.gz URAKLMPODFGNGM-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550223 687909427 /nfs/dbraw/zinc/90/94/27/687909427.db2.gz URAKLMPODFGNGM-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550223 687909429 /nfs/dbraw/zinc/90/94/29/687909429.db2.gz URAKLMPODFGNGM-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018300612 688104714 /nfs/dbraw/zinc/10/47/14/688104714.db2.gz CCGSHIYHIIPREB-VQHPVUNQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018300612 688104718 /nfs/dbraw/zinc/10/47/18/688104718.db2.gz CCGSHIYHIIPREB-VQHPVUNQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310867 688107450 /nfs/dbraw/zinc/10/74/50/688107450.db2.gz SHOVEPLMQLIIQC-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032798433 689263729 /nfs/dbraw/zinc/26/37/29/689263729.db2.gz BTXWCWWALBIPPT-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032798433 689263731 /nfs/dbraw/zinc/26/37/31/689263731.db2.gz BTXWCWWALBIPPT-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230370 689432752 /nfs/dbraw/zinc/43/27/52/689432752.db2.gz MXQTVLHFJXJHKG-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365242 689477800 /nfs/dbraw/zinc/47/78/00/689477800.db2.gz FEWAENFXWQCJCP-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365242 689477802 /nfs/dbraw/zinc/47/78/02/689477802.db2.gz FEWAENFXWQCJCP-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033575370 689548569 /nfs/dbraw/zinc/54/85/69/689548569.db2.gz RBMIFJRGPUTABK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033575370 689548573 /nfs/dbraw/zinc/54/85/73/689548573.db2.gz RBMIFJRGPUTABK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033575370 689548578 /nfs/dbraw/zinc/54/85/78/689548578.db2.gz RBMIFJRGPUTABK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687168 689584807 /nfs/dbraw/zinc/58/48/07/689584807.db2.gz ZEZJWJIBUGDWSS-INIZCTEOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991209 689685468 /nfs/dbraw/zinc/68/54/68/689685468.db2.gz GNEBITKBTLEEAQ-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251167 689782376 /nfs/dbraw/zinc/78/23/76/689782376.db2.gz WHCPRUCJIBEFQM-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251167 689782378 /nfs/dbraw/zinc/78/23/78/689782378.db2.gz WHCPRUCJIBEFQM-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367190 689825010 /nfs/dbraw/zinc/82/50/10/689825010.db2.gz FJBBVANKOFMBOI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034367190 689825011 /nfs/dbraw/zinc/82/50/11/689825011.db2.gz FJBBVANKOFMBOI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034367190 689825014 /nfs/dbraw/zinc/82/50/14/689825014.db2.gz FJBBVANKOFMBOI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538511 689890666 /nfs/dbraw/zinc/89/06/66/689890666.db2.gz NZMCNYVMJVUGMW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538511 689890669 /nfs/dbraw/zinc/89/06/69/689890669.db2.gz NZMCNYVMJVUGMW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538511 689890673 /nfs/dbraw/zinc/89/06/73/689890673.db2.gz NZMCNYVMJVUGMW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876776059 689934114 /nfs/dbraw/zinc/93/41/14/689934114.db2.gz DRYBXPBHDGMTQK-BMFZPTHFSA-N 2 1 321.852 2.236 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184943 690053508 /nfs/dbraw/zinc/05/35/08/690053508.db2.gz IBKKVZBMJWACRH-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184943 690053509 /nfs/dbraw/zinc/05/35/09/690053509.db2.gz IBKKVZBMJWACRH-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184943 690053514 /nfs/dbraw/zinc/05/35/14/690053514.db2.gz IBKKVZBMJWACRH-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035216725 690063532 /nfs/dbraw/zinc/06/35/32/690063532.db2.gz FCIGPGRYORBGBU-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216725 690063533 /nfs/dbraw/zinc/06/35/33/690063533.db2.gz FCIGPGRYORBGBU-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216725 690063534 /nfs/dbraw/zinc/06/35/34/690063534.db2.gz FCIGPGRYORBGBU-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260549 690077288 /nfs/dbraw/zinc/07/72/88/690077288.db2.gz ZKULPGWYQNZURT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035260549 690077292 /nfs/dbraw/zinc/07/72/92/690077292.db2.gz ZKULPGWYQNZURT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035719566 690159977 /nfs/dbraw/zinc/15/99/77/690159977.db2.gz BYWVSWBUYKGZPZ-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035724855 690161564 /nfs/dbraw/zinc/16/15/64/690161564.db2.gz AXTUECMXRCQYIO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772671 690172585 /nfs/dbraw/zinc/17/25/85/690172585.db2.gz IHZWQEYEGFBLMQ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035833995 690188535 /nfs/dbraw/zinc/18/85/35/690188535.db2.gz FHGFCUOTDUHNMK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773548 690469512 /nfs/dbraw/zinc/46/95/12/690469512.db2.gz PHSFXJWLODCWDS-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036832480 690492039 /nfs/dbraw/zinc/49/20/39/690492039.db2.gz CFXXDJUAVGOJIW-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248491 690757084 /nfs/dbraw/zinc/75/70/84/690757084.db2.gz MZRNVCHSFCBMQO-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248491 690757087 /nfs/dbraw/zinc/75/70/87/690757087.db2.gz MZRNVCHSFCBMQO-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248491 690757091 /nfs/dbraw/zinc/75/70/91/690757091.db2.gz MZRNVCHSFCBMQO-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248491 690757094 /nfs/dbraw/zinc/75/70/94/690757094.db2.gz MZRNVCHSFCBMQO-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136730 691030962 /nfs/dbraw/zinc/03/09/62/691030962.db2.gz OHJFSZMROBODFH-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163331 691036521 /nfs/dbraw/zinc/03/65/21/691036521.db2.gz AKIUPDXFIUAVFH-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163331 691036523 /nfs/dbraw/zinc/03/65/23/691036523.db2.gz AKIUPDXFIUAVFH-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163331 691036525 /nfs/dbraw/zinc/03/65/25/691036525.db2.gz AKIUPDXFIUAVFH-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380417 691239134 /nfs/dbraw/zinc/23/91/34/691239134.db2.gz QVVVNNDOENQHAS-SJLPKXTDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040936978 691299809 /nfs/dbraw/zinc/29/98/09/691299809.db2.gz RZQVTMCIVRIZEY-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440972 691375746 /nfs/dbraw/zinc/37/57/46/691375746.db2.gz SAYIEGIASUTPTG-GOSISDBHSA-N 2 1 317.477 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536132 691389372 /nfs/dbraw/zinc/38/93/72/691389372.db2.gz MOMOKHFZKWKEME-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725524 691417953 /nfs/dbraw/zinc/41/79/53/691417953.db2.gz OGPXXMPKCYKUKY-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095919 691507805 /nfs/dbraw/zinc/50/78/05/691507805.db2.gz RPDCRLDVUGKEIS-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095919 691507810 /nfs/dbraw/zinc/50/78/10/691507810.db2.gz RPDCRLDVUGKEIS-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095919 691507817 /nfs/dbraw/zinc/50/78/17/691507817.db2.gz RPDCRLDVUGKEIS-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132802 691516929 /nfs/dbraw/zinc/51/69/29/691516929.db2.gz FSBNTFCVHGZIKT-PBHICJAKSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252546 691548647 /nfs/dbraw/zinc/54/86/47/691548647.db2.gz KIURLSVLQQFRJP-CVEARBPZSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252546 691548648 /nfs/dbraw/zinc/54/86/48/691548648.db2.gz KIURLSVLQQFRJP-CVEARBPZSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254196 691549675 /nfs/dbraw/zinc/54/96/75/691549675.db2.gz IXEXKPDMRKXDOL-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042369416 691583903 /nfs/dbraw/zinc/58/39/03/691583903.db2.gz XTXSTBWXEPANFS-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001043603634 691724323 /nfs/dbraw/zinc/72/43/23/691724323.db2.gz NNNIKLRWZIEQQZ-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1c(C)cc(N)cc1C ZINC000884429945 691736838 /nfs/dbraw/zinc/73/68/38/691736838.db2.gz ZATXSWACCGQNAA-UHFFFAOYSA-N 2 1 321.494 2.025 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438391 691981357 /nfs/dbraw/zinc/98/13/57/691981357.db2.gz RZLNRNCMENOHBP-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531102 691993489 /nfs/dbraw/zinc/99/34/89/691993489.db2.gz DJTMTUNHOZWXER-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760884 692991502 /nfs/dbraw/zinc/99/15/02/692991502.db2.gz HBWQQHVSGQFAFF-JKSUJKDBSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760884 692991506 /nfs/dbraw/zinc/99/15/06/692991506.db2.gz HBWQQHVSGQFAFF-JKSUJKDBSA-N 2 1 316.449 2.258 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C2 ZINC000926878156 693523275 /nfs/dbraw/zinc/52/32/75/693523275.db2.gz FDJHCPBGYOQAAD-HBPKQKSZSA-N 2 1 307.482 2.384 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857083 693634606 /nfs/dbraw/zinc/63/46/06/693634606.db2.gz HRMADLXDIWUTPT-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871579 693637499 /nfs/dbraw/zinc/63/74/99/693637499.db2.gz LEOYWCAIZDFVFI-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871579 693637501 /nfs/dbraw/zinc/63/75/01/693637501.db2.gz LEOYWCAIZDFVFI-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC001052954312 693656270 /nfs/dbraw/zinc/65/62/70/693656270.db2.gz MUEWSBXSKIZAIC-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286633 1162315465 /nfs/dbraw/zinc/31/54/65/1162315465.db2.gz CWVWQOTYXAEVTK-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322001 1162324738 /nfs/dbraw/zinc/32/47/38/1162324738.db2.gz WBDXMZVPWOKSQM-GJZGRUSLSA-N 2 1 313.873 2.096 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC001346251653 1150959335 /nfs/dbraw/zinc/95/93/35/1150959335.db2.gz NTOYIZQOYGEHHO-SFHVURJKSA-N 2 1 320.864 2.321 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001480272669 1151736850 /nfs/dbraw/zinc/73/68/50/1151736850.db2.gz XMOOKJYFRCWMHJ-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001380096054 1152749612 /nfs/dbraw/zinc/74/96/12/1152749612.db2.gz ORVRBOHGNWWFAD-ZDUSSCGKSA-N 2 1 303.878 2.200 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001380143640 1152756363 /nfs/dbraw/zinc/75/63/63/1152756363.db2.gz QTJBIIAZUWLFQC-DZGCQCFKSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001381112908 1152913507 /nfs/dbraw/zinc/91/35/07/1152913507.db2.gz RVQLSYVJAWWOOJ-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001375585001 1158821003 /nfs/dbraw/zinc/82/10/03/1158821003.db2.gz LJRRTYKUNTYMMZ-CABCVRRESA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376513807 1159493890 /nfs/dbraw/zinc/49/38/90/1159493890.db2.gz WCLJTFNCECZIEH-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376513807 1159493894 /nfs/dbraw/zinc/49/38/94/1159493894.db2.gz WCLJTFNCECZIEH-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001405939888 1164348440 /nfs/dbraw/zinc/34/84/40/1164348440.db2.gz DHGOXTQYEQQJHN-AWEZNQCLSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001420087189 1169152855 /nfs/dbraw/zinc/15/28/55/1169152855.db2.gz MILIVWVNDDPYRM-ZFWWWQNUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422719261 1172828812 /nfs/dbraw/zinc/82/88/12/1172828812.db2.gz MTIYMZPLYFLHFK-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001422719261 1172828814 /nfs/dbraw/zinc/82/88/14/1172828814.db2.gz MTIYMZPLYFLHFK-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013480 1173015659 /nfs/dbraw/zinc/01/56/59/1173015659.db2.gz ZEMLXFYFOOGZQY-GJZGRUSLSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001436669383 1179177334 /nfs/dbraw/zinc/17/73/34/1179177334.db2.gz OIEKNEXXEIGOKT-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001437160156 1179500801 /nfs/dbraw/zinc/50/08/01/1179500801.db2.gz AVBIVZIRMBUYPN-ZDUSSCGKSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001438451624 1180445074 /nfs/dbraw/zinc/44/50/74/1180445074.db2.gz ZCCQNQGTURLKCO-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001439212935 1180942737 /nfs/dbraw/zinc/94/27/37/1180942737.db2.gz FDSBHLIHOGDFDO-DZGCQCFKSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182758 1181374179 /nfs/dbraw/zinc/37/41/79/1181374179.db2.gz CDHIOGJGWIGGRP-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182758 1181374183 /nfs/dbraw/zinc/37/41/83/1181374183.db2.gz CDHIOGJGWIGGRP-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001441212626 1181896528 /nfs/dbraw/zinc/89/65/28/1181896528.db2.gz UEHBSBBSULVLAD-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001445471239 1183881574 /nfs/dbraw/zinc/88/15/74/1183881574.db2.gz URWZANDJMUSDBC-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001332426448 1149859185 /nfs/dbraw/zinc/85/91/85/1149859185.db2.gz DDNWNWCRGFDTMG-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001332907149 1149920951 /nfs/dbraw/zinc/92/09/51/1149920951.db2.gz GPGQYXXGMSHGSD-KRWDZBQOSA-N 2 1 317.477 2.425 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001332907149 1149920961 /nfs/dbraw/zinc/92/09/61/1149920961.db2.gz GPGQYXXGMSHGSD-KRWDZBQOSA-N 2 1 317.477 2.425 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106250245 782570903 /nfs/dbraw/zinc/57/09/03/782570903.db2.gz ZKJUPDIEJVKNKM-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420150 783086585 /nfs/dbraw/zinc/08/65/85/783086585.db2.gz KFUVJRYIZVKXRJ-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420150 783086591 /nfs/dbraw/zinc/08/65/91/783086591.db2.gz KFUVJRYIZVKXRJ-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420150 783086601 /nfs/dbraw/zinc/08/66/01/783086601.db2.gz KFUVJRYIZVKXRJ-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473859 783146139 /nfs/dbraw/zinc/14/61/39/783146139.db2.gz OUPFYFIKJWCXBW-ZBFHGGJFSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559683 783206840 /nfs/dbraw/zinc/20/68/40/783206840.db2.gz RAWXBVCVSZWLFK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559683 783206845 /nfs/dbraw/zinc/20/68/45/783206845.db2.gz RAWXBVCVSZWLFK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559683 783206849 /nfs/dbraw/zinc/20/68/49/783206849.db2.gz RAWXBVCVSZWLFK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727191 783215530 /nfs/dbraw/zinc/21/55/30/783215530.db2.gz WEEWWWMPJPHDDZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727191 783215536 /nfs/dbraw/zinc/21/55/36/783215536.db2.gz WEEWWWMPJPHDDZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727191 783215543 /nfs/dbraw/zinc/21/55/43/783215543.db2.gz WEEWWWMPJPHDDZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125971 790472508 /nfs/dbraw/zinc/47/25/08/790472508.db2.gz QTLUXXRHDUNMEK-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207262882 777288260 /nfs/dbraw/zinc/28/82/60/777288260.db2.gz KVFUVSXECOKGIE-OWCLPIDISA-N 2 1 313.461 2.069 20 30 DEEDMP C[C@H](Nc1cc[nH+]c(N2CCC([NH3+])CC2)n1)c1cccc(C#N)c1 ZINC001167707325 777931184 /nfs/dbraw/zinc/93/11/84/777931184.db2.gz PRJUSWJYASBERE-ZDUSSCGKSA-N 2 1 322.416 2.449 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104938570 778266406 /nfs/dbraw/zinc/26/64/06/778266406.db2.gz VRUTVYKRNYECJZ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881176 780274883 /nfs/dbraw/zinc/27/48/83/780274883.db2.gz HHTYFBMPWYMQFN-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881176 780274892 /nfs/dbraw/zinc/27/48/92/780274892.db2.gz HHTYFBMPWYMQFN-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881176 780274901 /nfs/dbraw/zinc/27/49/01/780274901.db2.gz HHTYFBMPWYMQFN-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621675 783533468 /nfs/dbraw/zinc/53/34/68/783533468.db2.gz UPMORHIDQPESNN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621675 783533459 /nfs/dbraw/zinc/53/34/59/783533459.db2.gz UPMORHIDQPESNN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905027 783811041 /nfs/dbraw/zinc/81/10/41/783811041.db2.gz WVCBGJRCVAHHBP-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914584 784646886 /nfs/dbraw/zinc/64/68/86/784646886.db2.gz XLMDQZABSHAEGN-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007327445 784889960 /nfs/dbraw/zinc/88/99/60/784889960.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007327445 784889968 /nfs/dbraw/zinc/88/99/68/784889968.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007327445 784889974 /nfs/dbraw/zinc/88/99/74/784889974.db2.gz NUUBVDDCMOMPRV-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246871 791119952 /nfs/dbraw/zinc/11/99/52/791119952.db2.gz HOEFDSGBVKKBST-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449116 785880538 /nfs/dbraw/zinc/88/05/38/785880538.db2.gz FMAKUNVEWNLYRA-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449116 785880545 /nfs/dbraw/zinc/88/05/45/785880545.db2.gz FMAKUNVEWNLYRA-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449116 785880549 /nfs/dbraw/zinc/88/05/49/785880549.db2.gz FMAKUNVEWNLYRA-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449116 785880554 /nfs/dbraw/zinc/88/05/54/785880554.db2.gz FMAKUNVEWNLYRA-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008495 786358284 /nfs/dbraw/zinc/35/82/84/786358284.db2.gz RUZLVYOIOIKPGH-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP N#CC1(c2ccccc2)CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001170361829 786921803 /nfs/dbraw/zinc/92/18/03/786921803.db2.gz HHZLSTJBXUSZJC-LRYGQEGESA-N 2 1 324.428 2.322 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096348484 787626993 /nfs/dbraw/zinc/62/69/93/787626993.db2.gz QJYZXWGBQPKARF-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096348484 787626999 /nfs/dbraw/zinc/62/69/99/787626999.db2.gz QJYZXWGBQPKARF-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001096348484 787627002 /nfs/dbraw/zinc/62/70/02/787627002.db2.gz QJYZXWGBQPKARF-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132207820 787965724 /nfs/dbraw/zinc/96/57/24/787965724.db2.gz XJTRXHFJYLETTO-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207820 787965726 /nfs/dbraw/zinc/96/57/26/787965726.db2.gz XJTRXHFJYLETTO-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132207820 787965728 /nfs/dbraw/zinc/96/57/28/787965728.db2.gz XJTRXHFJYLETTO-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219401 788024937 /nfs/dbraw/zinc/02/49/37/788024937.db2.gz DSGRNEPAIAWYPG-LVQVYYBASA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219401 788024947 /nfs/dbraw/zinc/02/49/47/788024947.db2.gz DSGRNEPAIAWYPG-LVQVYYBASA-N 2 1 314.433 2.058 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354735 788035237 /nfs/dbraw/zinc/03/52/37/788035237.db2.gz OYLSLXRKADYAFH-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354735 788035249 /nfs/dbraw/zinc/03/52/49/788035249.db2.gz OYLSLXRKADYAFH-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132366299 788041456 /nfs/dbraw/zinc/04/14/56/788041456.db2.gz ZWJCLYABMSFDJH-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366299 788041464 /nfs/dbraw/zinc/04/14/64/788041464.db2.gz ZWJCLYABMSFDJH-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366299 788041471 /nfs/dbraw/zinc/04/14/71/788041471.db2.gz ZWJCLYABMSFDJH-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097718340 788195398 /nfs/dbraw/zinc/19/53/98/788195398.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718340 788195401 /nfs/dbraw/zinc/19/54/01/788195401.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718340 788195404 /nfs/dbraw/zinc/19/54/04/788195404.db2.gz GDJQGUVDJANGGR-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976511 788246468 /nfs/dbraw/zinc/24/64/68/788246468.db2.gz FIUJCDQQBXEBCC-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919350 789972023 /nfs/dbraw/zinc/97/20/23/789972023.db2.gz AINUJZNXBJTWFM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171307864 791559130 /nfs/dbraw/zinc/55/91/30/791559130.db2.gz LXJOWDKHPXWIMK-ROUUACIJSA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C ZINC001171307864 791559139 /nfs/dbraw/zinc/55/91/39/791559139.db2.gz LXJOWDKHPXWIMK-ROUUACIJSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926587 791853783 /nfs/dbraw/zinc/85/37/83/791853783.db2.gz CQCGKXGHKIMNJF-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099162938 792122007 /nfs/dbraw/zinc/12/20/07/792122007.db2.gz CMQLSVLDGZIELS-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099162938 792122011 /nfs/dbraw/zinc/12/20/11/792122011.db2.gz CMQLSVLDGZIELS-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092757411 792123998 /nfs/dbraw/zinc/12/39/98/792123998.db2.gz ZTMJRRRBYJDXFS-UKRRQHHQSA-N 2 1 312.417 2.126 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239779 792148375 /nfs/dbraw/zinc/14/83/75/792148375.db2.gz JXMNEJHLYGQNNL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239779 792148381 /nfs/dbraw/zinc/14/83/81/792148381.db2.gz JXMNEJHLYGQNNL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239779 792148388 /nfs/dbraw/zinc/14/83/88/792148388.db2.gz JXMNEJHLYGQNNL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099536271 792233184 /nfs/dbraw/zinc/23/31/84/792233184.db2.gz KVKZYJXCBOGAMG-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159159 792994001 /nfs/dbraw/zinc/99/40/01/792994001.db2.gz BNOOANLEDRSCDE-YVSFHVDLSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159159 792994007 /nfs/dbraw/zinc/99/40/07/792994007.db2.gz BNOOANLEDRSCDE-YVSFHVDLSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159159 792994012 /nfs/dbraw/zinc/99/40/12/792994012.db2.gz BNOOANLEDRSCDE-YVSFHVDLSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213447 793531693 /nfs/dbraw/zinc/53/16/93/793531693.db2.gz GNLQXOOFRPSOGJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587618 /nfs/dbraw/zinc/58/76/18/793587618.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587623 /nfs/dbraw/zinc/58/76/23/793587623.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366894 793587630 /nfs/dbraw/zinc/58/76/30/793587630.db2.gz UDQVAJBKWPVQHL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111772 793944918 /nfs/dbraw/zinc/94/49/18/793944918.db2.gz NVWXETJRFUAGKL-ZACQAIPSSA-N 2 1 309.498 2.223 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723404 794202002 /nfs/dbraw/zinc/20/20/02/794202002.db2.gz INNYXOJIBLWVMC-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723404 794202007 /nfs/dbraw/zinc/20/20/07/794202007.db2.gz INNYXOJIBLWVMC-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704263 794278831 /nfs/dbraw/zinc/27/88/31/794278831.db2.gz UFGNABLKBKSIES-MRXNPFEDSA-N 2 1 318.465 2.260 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854342 794502833 /nfs/dbraw/zinc/50/28/33/794502833.db2.gz OFOPFEDWCUHUSR-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854342 794502839 /nfs/dbraw/zinc/50/28/39/794502839.db2.gz OFOPFEDWCUHUSR-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115343406 794740548 /nfs/dbraw/zinc/74/05/48/794740548.db2.gz IDMTVNHBMITQEO-DZFIZOCASA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450796 794777380 /nfs/dbraw/zinc/77/73/80/794777380.db2.gz OTJOEVGDXYVUTG-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692582 794881800 /nfs/dbraw/zinc/88/18/00/794881800.db2.gz WSJLTVDHOPFAGG-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(C)C ZINC001178722816 794974146 /nfs/dbraw/zinc/97/41/46/794974146.db2.gz PJTTVJYTVMYTSX-KRWDZBQOSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(C)C ZINC001178722816 794974150 /nfs/dbraw/zinc/97/41/50/794974150.db2.gz PJTTVJYTVMYTSX-KRWDZBQOSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178890005 795020190 /nfs/dbraw/zinc/02/01/90/795020190.db2.gz FIFXHULPYDVVHC-JYJNAYRXSA-N 2 1 316.449 2.306 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179357820 795098431 /nfs/dbraw/zinc/09/84/31/795098431.db2.gz LXLYVAGXUGFVBA-SFHVURJKSA-N 2 1 321.509 2.398 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274711 795268973 /nfs/dbraw/zinc/26/89/73/795268973.db2.gz SKCMSXSOFKBPDT-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899490 795393539 /nfs/dbraw/zinc/39/35/39/795393539.db2.gz NBXLUIAFBIQFCX-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189399 795419898 /nfs/dbraw/zinc/41/98/98/795419898.db2.gz IYKWGIJZGVGDIH-IYBDPMFKSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469198 795466559 /nfs/dbraw/zinc/46/65/59/795466559.db2.gz IFLIOGZNAHNGAW-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469198 795466565 /nfs/dbraw/zinc/46/65/65/795466565.db2.gz IFLIOGZNAHNGAW-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294749 795612496 /nfs/dbraw/zinc/61/24/96/795612496.db2.gz GQNZFJDYKHEHER-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288308 795852195 /nfs/dbraw/zinc/85/21/95/795852195.db2.gz CGKNMISXSCPDNJ-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184811053 796131506 /nfs/dbraw/zinc/13/15/06/796131506.db2.gz UPWUYLLXSLYHOB-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185535430 796286611 /nfs/dbraw/zinc/28/66/11/796286611.db2.gz DRTQTNIOZHVDFZ-HIFRSBDPSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872479 796293777 /nfs/dbraw/zinc/29/37/77/796293777.db2.gz GPUVIZBYMPJUNV-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814453 797401990 /nfs/dbraw/zinc/40/19/90/797401990.db2.gz GOBNUHQNZSCOML-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814453 797401995 /nfs/dbraw/zinc/40/19/95/797401995.db2.gz GOBNUHQNZSCOML-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814453 797401999 /nfs/dbraw/zinc/40/19/99/797401999.db2.gz GOBNUHQNZSCOML-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819128 797403797 /nfs/dbraw/zinc/40/37/97/797403797.db2.gz OSYYRQJQXPYJQR-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819128 797403801 /nfs/dbraw/zinc/40/38/01/797403801.db2.gz OSYYRQJQXPYJQR-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819128 797403807 /nfs/dbraw/zinc/40/38/07/797403807.db2.gz OSYYRQJQXPYJQR-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116755 797466569 /nfs/dbraw/zinc/46/65/69/797466569.db2.gz UYORLNKKYZQJLS-CQSZACIVSA-N 2 1 312.417 2.106 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455564 797538653 /nfs/dbraw/zinc/53/86/53/797538653.db2.gz UDMHGFAPHAGVBB-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425557 797566268 /nfs/dbraw/zinc/56/62/68/797566268.db2.gz YVBMMTBOOSAVGC-GOSISDBHSA-N 2 1 321.509 2.445 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244059 797716842 /nfs/dbraw/zinc/71/68/42/797716842.db2.gz BVVVPNJXWRJKII-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244059 797716846 /nfs/dbraw/zinc/71/68/46/797716846.db2.gz BVVVPNJXWRJKII-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155612513 797806001 /nfs/dbraw/zinc/80/60/01/797806001.db2.gz XDKUMNPFSRLYBC-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227714 798364659 /nfs/dbraw/zinc/36/46/59/798364659.db2.gz LTNMQMYZZGVHIJ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227714 798364663 /nfs/dbraw/zinc/36/46/63/798364663.db2.gz LTNMQMYZZGVHIJ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156662 798655989 /nfs/dbraw/zinc/65/59/89/798655989.db2.gz WJZHLEZWADNUKR-GOSISDBHSA-N 2 1 317.477 2.043 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285901 798670681 /nfs/dbraw/zinc/67/06/81/798670681.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285901 798670682 /nfs/dbraw/zinc/67/06/82/798670682.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285901 798670684 /nfs/dbraw/zinc/67/06/84/798670684.db2.gz KRLLCWIGYLUFGO-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#N)c(C)c1Cl ZINC001160511114 798697312 /nfs/dbraw/zinc/69/73/12/798697312.db2.gz LMDGUNOUDVLFTC-INIZCTEOSA-N 2 1 319.840 2.059 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400539 798747491 /nfs/dbraw/zinc/74/74/91/798747491.db2.gz RCJYHXLLJGYYEC-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161212854 798811834 /nfs/dbraw/zinc/81/18/34/798811834.db2.gz CEGXXKFHWXYNLZ-GOSISDBHSA-N 2 1 319.493 2.269 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161220184 798812582 /nfs/dbraw/zinc/81/25/82/798812582.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220184 798812586 /nfs/dbraw/zinc/81/25/86/798812586.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220184 798812591 /nfs/dbraw/zinc/81/25/91/798812591.db2.gz XZVNVNUPYBQQPM-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161446090 798860749 /nfs/dbraw/zinc/86/07/49/798860749.db2.gz WKGDKSMEPKWUNJ-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161446090 798860757 /nfs/dbraw/zinc/86/07/57/798860757.db2.gz WKGDKSMEPKWUNJ-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161446090 798860766 /nfs/dbraw/zinc/86/07/66/798860766.db2.gz WKGDKSMEPKWUNJ-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161723192 798922484 /nfs/dbraw/zinc/92/24/84/798922484.db2.gz MROXPWAXCUMVGD-UHFFFAOYSA-N 2 1 317.477 2.187 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161863440 798952367 /nfs/dbraw/zinc/95/23/67/798952367.db2.gz QFYBMOREVPVMLM-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161863440 798952375 /nfs/dbraw/zinc/95/23/75/798952375.db2.gz QFYBMOREVPVMLM-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161863440 798952383 /nfs/dbraw/zinc/95/23/83/798952383.db2.gz QFYBMOREVPVMLM-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508551 799612904 /nfs/dbraw/zinc/61/29/04/799612904.db2.gz CVSCQNBLWUIBNF-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472550 799736101 /nfs/dbraw/zinc/73/61/01/799736101.db2.gz MSDPAYRPUUZRTN-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165502177 799738091 /nfs/dbraw/zinc/73/80/91/799738091.db2.gz XCGVHHDVVIJPFE-UHFFFAOYSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001165809918 799777776 /nfs/dbraw/zinc/77/77/76/799777776.db2.gz TXLVEYQZHMOZKE-UHFFFAOYSA-N 2 1 315.889 2.345 20 30 DEEDMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607262 800137124 /nfs/dbraw/zinc/13/71/24/800137124.db2.gz OLWFWBVZENJNKU-SFHVURJKSA-N 2 1 301.434 2.050 20 30 DEEDMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607262 800137126 /nfs/dbraw/zinc/13/71/26/800137126.db2.gz OLWFWBVZENJNKU-SFHVURJKSA-N 2 1 301.434 2.050 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547533 800552225 /nfs/dbraw/zinc/55/22/25/800552225.db2.gz HIQGHBLNDNKYRJ-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281837 800721907 /nfs/dbraw/zinc/72/19/07/800721907.db2.gz HSQCCYUSLXCLDZ-WMZOPIPTSA-N 2 1 310.482 2.400 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001207483246 800765088 /nfs/dbraw/zinc/76/50/88/800765088.db2.gz VFQYPSQYXYZYPG-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207611843 800788974 /nfs/dbraw/zinc/78/89/74/800788974.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207611843 800788976 /nfs/dbraw/zinc/78/89/76/800788976.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207611843 800788977 /nfs/dbraw/zinc/78/89/77/800788977.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207611843 800788979 /nfs/dbraw/zinc/78/89/79/800788979.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207611843 800788980 /nfs/dbraw/zinc/78/89/80/800788980.db2.gz XVEYCUOSBUFEIT-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169349 800858196 /nfs/dbraw/zinc/85/81/96/800858196.db2.gz PEUWXLJDIJICPB-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229172317 801237833 /nfs/dbraw/zinc/23/78/33/801237833.db2.gz XYSLPRKGJZNQDZ-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP N#Cc1cnc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001210262024 801360767 /nfs/dbraw/zinc/36/07/67/801360767.db2.gz NUXQVONUPJZIHD-UHFFFAOYSA-N 2 1 314.780 2.155 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610461 801435529 /nfs/dbraw/zinc/43/55/29/801435529.db2.gz BNTNZCDEWAMWOY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211270249 801540644 /nfs/dbraw/zinc/54/06/44/801540644.db2.gz YXSQCDAOZYNFBT-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350362 801551237 /nfs/dbraw/zinc/55/12/37/801551237.db2.gz RICXLSQGKCLMBJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228215 801823689 /nfs/dbraw/zinc/82/36/89/801823689.db2.gz FGLIGMZCDKNOLL-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215381335 801852249 /nfs/dbraw/zinc/85/22/49/801852249.db2.gz SRIZFWWWKUZQGV-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001221688823 802603493 /nfs/dbraw/zinc/60/34/93/802603493.db2.gz QSCNCOCGDYTNMG-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876758 802624014 /nfs/dbraw/zinc/62/40/14/802624014.db2.gz SFYIKRHUNQIXFZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876758 802624018 /nfs/dbraw/zinc/62/40/18/802624018.db2.gz SFYIKRHUNQIXFZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876758 802624022 /nfs/dbraw/zinc/62/40/22/802624022.db2.gz SFYIKRHUNQIXFZ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521574 802700260 /nfs/dbraw/zinc/70/02/60/802700260.db2.gz WJGILXZSCOGVBW-LJQANCHMSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489274 802795177 /nfs/dbraw/zinc/79/51/77/802795177.db2.gz LPVGJSXOPQAINX-KURKYZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001223985330 802828938 /nfs/dbraw/zinc/82/89/38/802828938.db2.gz ZXSDOKIDVOBKFP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223985330 802828939 /nfs/dbraw/zinc/82/89/39/802828939.db2.gz ZXSDOKIDVOBKFP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223985330 802828943 /nfs/dbraw/zinc/82/89/43/802828943.db2.gz ZXSDOKIDVOBKFP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224559035 802881771 /nfs/dbraw/zinc/88/17/71/802881771.db2.gz LUNSRHBXDGSWRA-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001420122583 1169175809 /nfs/dbraw/zinc/17/58/09/1169175809.db2.gz IRRKTJAIZFZFDX-CABCVRRESA-N 2 1 315.889 2.345 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@H]2CCOC2)C1 ZINC001346082359 1150939771 /nfs/dbraw/zinc/93/97/71/1150939771.db2.gz YADOMBHVZGILSN-HZPDHXFCSA-N 2 1 324.513 2.087 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001328735442 1148829877 /nfs/dbraw/zinc/82/98/77/1148829877.db2.gz AWESTOUJOJIETE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001328735442 1148829880 /nfs/dbraw/zinc/82/98/80/1148829880.db2.gz AWESTOUJOJIETE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001328735442 1148829881 /nfs/dbraw/zinc/82/98/81/1148829881.db2.gz AWESTOUJOJIETE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500196922 1058583086 /nfs/dbraw/zinc/58/30/86/1058583086.db2.gz FWBFNSPMCXCXCW-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500196922 1058583104 /nfs/dbraw/zinc/58/31/04/1058583104.db2.gz FWBFNSPMCXCXCW-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500196922 1058583121 /nfs/dbraw/zinc/58/31/21/1058583121.db2.gz FWBFNSPMCXCXCW-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500381766 1058738894 /nfs/dbraw/zinc/73/88/94/1058738894.db2.gz DQLSTWOPSXSXQE-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001502150161 1060002811 /nfs/dbraw/zinc/00/28/11/1060002811.db2.gz NOWZOKCVZKPNSY-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001502400957 1060110417 /nfs/dbraw/zinc/11/04/17/1060110417.db2.gz DZVNWXSSBKKXGG-HUUCEWRRSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001502400957 1060110420 /nfs/dbraw/zinc/11/04/20/1060110420.db2.gz DZVNWXSSBKKXGG-HUUCEWRRSA-N 2 1 315.889 2.392 20 30 DEEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001503200410 1060437117 /nfs/dbraw/zinc/43/71/17/1060437117.db2.gz KFYSGLATRSOZIO-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C[C@@H](C#N)OCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473806958 1060730544 /nfs/dbraw/zinc/73/05/44/1060730544.db2.gz GXDMOJQLBHOGJO-UHOSZYNNSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473806958 1060730561 /nfs/dbraw/zinc/73/05/61/1060730561.db2.gz GXDMOJQLBHOGJO-UHOSZYNNSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473806958 1060730575 /nfs/dbraw/zinc/73/05/75/1060730575.db2.gz GXDMOJQLBHOGJO-UHOSZYNNSA-N 2 1 313.445 2.369 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001479777675 1061736571 /nfs/dbraw/zinc/73/65/71/1061736571.db2.gz AMSIFDXYLSPSBX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001479777675 1061736592 /nfs/dbraw/zinc/73/65/92/1061736592.db2.gz AMSIFDXYLSPSBX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001479777675 1061736614 /nfs/dbraw/zinc/73/66/14/1061736614.db2.gz AMSIFDXYLSPSBX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001479968468 1062123407 /nfs/dbraw/zinc/12/34/07/1062123407.db2.gz LIHFKXSLCSAMLQ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001479968468 1062123399 /nfs/dbraw/zinc/12/33/99/1062123399.db2.gz LIHFKXSLCSAMLQ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001479968468 1062123419 /nfs/dbraw/zinc/12/34/19/1062123419.db2.gz LIHFKXSLCSAMLQ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479969019 1062125784 /nfs/dbraw/zinc/12/57/84/1062125784.db2.gz REFAGGFVMSMULY-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480270017 1062573212 /nfs/dbraw/zinc/57/32/12/1062573212.db2.gz UNVZQKZEADSCTF-SFHVURJKSA-N 2 1 319.493 2.104 20 30 DEEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001507027626 1062692492 /nfs/dbraw/zinc/69/24/92/1062692492.db2.gz RKLOFCOTRZSCPZ-ZWKOTPCHSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001480384715 1062763715 /nfs/dbraw/zinc/76/37/15/1062763715.db2.gz CJRHWOKRUJCBQD-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384715 1062763734 /nfs/dbraw/zinc/76/37/34/1062763734.db2.gz CJRHWOKRUJCBQD-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384715 1062763759 /nfs/dbraw/zinc/76/37/59/1062763759.db2.gz CJRHWOKRUJCBQD-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001480621979 1063113961 /nfs/dbraw/zinc/11/39/61/1063113961.db2.gz JTFFUGUKXAELCN-KGLIPLIRSA-N 2 1 304.438 2.233 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480695633 1063200894 /nfs/dbraw/zinc/20/08/94/1063200894.db2.gz DAJGFXVHSAXNCT-HOTGVXAUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507854921 1063442025 /nfs/dbraw/zinc/44/20/25/1063442025.db2.gz NOPPAOKIBKFCOJ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001507854921 1063442034 /nfs/dbraw/zinc/44/20/34/1063442034.db2.gz NOPPAOKIBKFCOJ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001507854921 1063442043 /nfs/dbraw/zinc/44/20/43/1063442043.db2.gz NOPPAOKIBKFCOJ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493086703 1063549755 /nfs/dbraw/zinc/54/97/55/1063549755.db2.gz UMMAIEFVKRAGCH-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001493086703 1063549772 /nfs/dbraw/zinc/54/97/72/1063549772.db2.gz UMMAIEFVKRAGCH-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001493086703 1063549784 /nfs/dbraw/zinc/54/97/84/1063549784.db2.gz UMMAIEFVKRAGCH-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001493817391 1063974865 /nfs/dbraw/zinc/97/48/65/1063974865.db2.gz BCKAJIUJYDKSPF-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567702633 1064358162 /nfs/dbraw/zinc/35/81/62/1064358162.db2.gz HBZVMMKVJOYEGE-QGZVFWFLSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567731988 1064385698 /nfs/dbraw/zinc/38/56/98/1064385698.db2.gz TXATWFMFCASCAR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567731988 1064385709 /nfs/dbraw/zinc/38/57/09/1064385709.db2.gz TXATWFMFCASCAR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567731988 1064385722 /nfs/dbraw/zinc/38/57/22/1064385722.db2.gz TXATWFMFCASCAR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742791 1064396567 /nfs/dbraw/zinc/39/65/67/1064396567.db2.gz USSMKGRNQDTMOV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902247 1064560284 /nfs/dbraw/zinc/56/02/84/1064560284.db2.gz URQGLJYFOMQGOH-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902247 1064560296 /nfs/dbraw/zinc/56/02/96/1064560296.db2.gz URQGLJYFOMQGOH-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001568076134 1064635024 /nfs/dbraw/zinc/63/50/24/1064635024.db2.gz LTTPRZLFEKHUQW-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001568106343 1064649366 /nfs/dbraw/zinc/64/93/66/1064649366.db2.gz SSIVCGDJLWZLLF-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001568158407 1064675530 /nfs/dbraw/zinc/67/55/30/1064675530.db2.gz OLXSVBNEDFNTSI-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001568158407 1064675534 /nfs/dbraw/zinc/67/55/34/1064675534.db2.gz OLXSVBNEDFNTSI-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001568158407 1064675538 /nfs/dbraw/zinc/67/55/38/1064675538.db2.gz OLXSVBNEDFNTSI-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568437990 1064873960 /nfs/dbraw/zinc/87/39/60/1064873960.db2.gz PBXIHADFRLXFQH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001568437990 1064873967 /nfs/dbraw/zinc/87/39/67/1064873967.db2.gz PBXIHADFRLXFQH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001568437990 1064873973 /nfs/dbraw/zinc/87/39/73/1064873973.db2.gz PBXIHADFRLXFQH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC1CCC1 ZINC001568485580 1064906679 /nfs/dbraw/zinc/90/66/79/1064906679.db2.gz BOSRIBNPWRJURY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC1CCC1 ZINC001568485580 1064906692 /nfs/dbraw/zinc/90/66/92/1064906692.db2.gz BOSRIBNPWRJURY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC1CCC1 ZINC001568485580 1064906702 /nfs/dbraw/zinc/90/67/02/1064906702.db2.gz BOSRIBNPWRJURY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC1CCC1 ZINC001568485580 1064906711 /nfs/dbraw/zinc/90/67/11/1064906711.db2.gz BOSRIBNPWRJURY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001495443737 1064909870 /nfs/dbraw/zinc/90/98/70/1064909870.db2.gz GOZDIGAZMRFXJE-CALCHBBNSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929150 /nfs/dbraw/zinc/92/91/50/1064929150.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929154 /nfs/dbraw/zinc/92/91/54/1064929154.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001568514916 1064929162 /nfs/dbraw/zinc/92/91/62/1064929162.db2.gz DNAMSTKLWUAAMU-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001495490701 1064942408 /nfs/dbraw/zinc/94/24/08/1064942408.db2.gz UHDXSVMMTOIDAQ-GOSISDBHSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001495978298 1065203843 /nfs/dbraw/zinc/20/38/43/1065203843.db2.gz LPMNQDKSUCXXBU-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001569080704 1065274199 /nfs/dbraw/zinc/27/41/99/1065274199.db2.gz HUUCBZBQIKBBJB-JQHSSLGASA-N 2 1 315.461 2.002 20 30 DEEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001496300097 1065393665 /nfs/dbraw/zinc/39/36/65/1065393665.db2.gz IVYAMDNGLXZAER-DLBZAZTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001569340613 1065439986 /nfs/dbraw/zinc/43/99/86/1065439986.db2.gz OUOBBIJFPPSLFV-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001569436664 1065507848 /nfs/dbraw/zinc/50/78/48/1065507848.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001569436664 1065507859 /nfs/dbraw/zinc/50/78/59/1065507859.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001569436664 1065507868 /nfs/dbraw/zinc/50/78/68/1065507868.db2.gz KKYFRHBPPYFZAI-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCCC1 ZINC001569450547 1065515934 /nfs/dbraw/zinc/51/59/34/1065515934.db2.gz ZVPHGFCVBUZUQK-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001569450547 1065515946 /nfs/dbraw/zinc/51/59/46/1065515946.db2.gz ZVPHGFCVBUZUQK-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CCCCCC1 ZINC001569450547 1065515955 /nfs/dbraw/zinc/51/59/55/1065515955.db2.gz ZVPHGFCVBUZUQK-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001569452696 1065517773 /nfs/dbraw/zinc/51/77/73/1065517773.db2.gz XTNNBMOUWYJYBJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569455570 1065517988 /nfs/dbraw/zinc/51/79/88/1065517988.db2.gz RDESAYYSOJIDQQ-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001569455570 1065518000 /nfs/dbraw/zinc/51/80/00/1065518000.db2.gz RDESAYYSOJIDQQ-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001569455570 1065518009 /nfs/dbraw/zinc/51/80/09/1065518009.db2.gz RDESAYYSOJIDQQ-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875884 1065784928 /nfs/dbraw/zinc/78/49/28/1065784928.db2.gz SPPIVVYMMIDXMI-IGKNDFSCSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875884 1065784938 /nfs/dbraw/zinc/78/49/38/1065784938.db2.gz SPPIVVYMMIDXMI-IGKNDFSCSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875884 1065784948 /nfs/dbraw/zinc/78/49/48/1065784948.db2.gz SPPIVVYMMIDXMI-IGKNDFSCSA-N 2 1 319.493 2.072 20 30 DEEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)CC1 ZINC001570056458 1065904888 /nfs/dbraw/zinc/90/48/88/1065904888.db2.gz QLMSHPKVPVXSKU-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCCCC1 ZINC001497404239 1066074429 /nfs/dbraw/zinc/07/44/29/1066074429.db2.gz SRKZKLHUSUVYLF-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCCCC1 ZINC001497404239 1066074442 /nfs/dbraw/zinc/07/44/42/1066074442.db2.gz SRKZKLHUSUVYLF-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379670 1066667504 /nfs/dbraw/zinc/66/75/04/1066667504.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498379670 1066667509 /nfs/dbraw/zinc/66/75/09/1066667509.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498379670 1066667516 /nfs/dbraw/zinc/66/75/16/1066667516.db2.gz ATILBOQXRLMNAB-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001483438877 1078534411 /nfs/dbraw/zinc/53/44/11/1078534411.db2.gz VRWREEKZUGQVRR-DOTOQJQBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001483438878 1078534210 /nfs/dbraw/zinc/53/42/10/1078534210.db2.gz VRWREEKZUGQVRR-NVXWUHKLSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570682806 1068066373 /nfs/dbraw/zinc/06/63/73/1068066373.db2.gz DRLXPIUTRHIWRI-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284072799 1078647232 /nfs/dbraw/zinc/64/72/32/1078647232.db2.gz WCNDLVSEVWDNGX-XYJFISCASA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001570754065 1068109287 /nfs/dbraw/zinc/10/92/87/1068109287.db2.gz WFLSTSRRERMQQO-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001570754065 1068109289 /nfs/dbraw/zinc/10/92/89/1068109289.db2.gz WFLSTSRRERMQQO-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001571518470 1068382861 /nfs/dbraw/zinc/38/28/61/1068382861.db2.gz FVUZYVQCDNMMSD-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571518470 1068382877 /nfs/dbraw/zinc/38/28/77/1068382877.db2.gz FVUZYVQCDNMMSD-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001571518470 1068382896 /nfs/dbraw/zinc/38/28/96/1068382896.db2.gz FVUZYVQCDNMMSD-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001571539774 1068407528 /nfs/dbraw/zinc/40/75/28/1068407528.db2.gz GBVBLDHEDZCEKM-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001571666038 1068469879 /nfs/dbraw/zinc/46/98/79/1068469879.db2.gz USYHZIANHHZNDF-OFLPRAFFSA-N 2 1 301.434 2.054 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001670871839 1078838411 /nfs/dbraw/zinc/83/84/11/1078838411.db2.gz HUSOQSVLMSLBGP-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267588062 1079095219 /nfs/dbraw/zinc/09/52/19/1079095219.db2.gz FIDBLOQEASZEPJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267588062 1079095224 /nfs/dbraw/zinc/09/52/24/1079095224.db2.gz FIDBLOQEASZEPJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267588062 1079095230 /nfs/dbraw/zinc/09/52/30/1079095230.db2.gz FIDBLOQEASZEPJ-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483800908 1079129028 /nfs/dbraw/zinc/12/90/28/1079129028.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800908 1079129030 /nfs/dbraw/zinc/12/90/30/1079129030.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800908 1079129032 /nfs/dbraw/zinc/12/90/32/1079129032.db2.gz FDXRHJNKDABBBF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001267604076 1079172390 /nfs/dbraw/zinc/17/23/90/1079172390.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001267604076 1079172394 /nfs/dbraw/zinc/17/23/94/1079172394.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001267604076 1079172398 /nfs/dbraw/zinc/17/23/98/1079172398.db2.gz JAFKPECXMNVMGB-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001649844059 1079259366 /nfs/dbraw/zinc/25/93/66/1079259366.db2.gz UAZKLQIXVYBCAM-MRXNPFEDSA-N 2 1 314.433 2.351 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001481174570 1079291639 /nfs/dbraw/zinc/29/16/39/1079291639.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001481174570 1079291646 /nfs/dbraw/zinc/29/16/46/1079291646.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001481174570 1079291649 /nfs/dbraw/zinc/29/16/49/1079291649.db2.gz RGAQNJLCSIOGDX-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001481194531 1079323063 /nfs/dbraw/zinc/32/30/63/1079323063.db2.gz KTZYNOHPRRWGOJ-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484160432 1079334452 /nfs/dbraw/zinc/33/44/52/1079334452.db2.gz FXIHHYQZQFRFQA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267657830 1079348003 /nfs/dbraw/zinc/34/80/03/1079348003.db2.gz FVFQUEDUBOGMGV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657830 1079348006 /nfs/dbraw/zinc/34/80/06/1079348006.db2.gz FVFQUEDUBOGMGV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657830 1079348013 /nfs/dbraw/zinc/34/80/13/1079348013.db2.gz FVFQUEDUBOGMGV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001565920252 1075206022 /nfs/dbraw/zinc/20/60/22/1075206022.db2.gz HVCYYIVSXMCHBV-ZWKOTPCHSA-N 2 1 315.461 2.179 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001565920252 1075206024 /nfs/dbraw/zinc/20/60/24/1075206024.db2.gz HVCYYIVSXMCHBV-ZWKOTPCHSA-N 2 1 315.461 2.179 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267683644 1079371930 /nfs/dbraw/zinc/37/19/30/1079371930.db2.gz SHCZTCSTLRLCOX-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001566124061 1075233068 /nfs/dbraw/zinc/23/30/68/1075233068.db2.gz FLSCBYPCMVJTGO-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001566597909 1075292833 /nfs/dbraw/zinc/29/28/33/1075292833.db2.gz HRMVNWFKRDWDOW-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682262 1075315985 /nfs/dbraw/zinc/31/59/85/1075315985.db2.gz SYNGYPDAUBFNRP-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001566745852 1075332850 /nfs/dbraw/zinc/33/28/50/1075332850.db2.gz VWAVYJPJBCSVPA-HNNXBMFYSA-N 2 1 318.465 2.434 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001566745852 1075332851 /nfs/dbraw/zinc/33/28/51/1075332851.db2.gz VWAVYJPJBCSVPA-HNNXBMFYSA-N 2 1 318.465 2.434 20 30 DEEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001567116304 1075435607 /nfs/dbraw/zinc/43/56/07/1075435607.db2.gz MXXJZEKXHPQUIT-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001567265806 1075481377 /nfs/dbraw/zinc/48/13/77/1075481377.db2.gz FFVRTHBWLOYPLQ-HNNXBMFYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339103 1079549304 /nfs/dbraw/zinc/54/93/04/1079549304.db2.gz STMRKCXKDWWDGG-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001484563603 1079662788 /nfs/dbraw/zinc/66/27/88/1079662788.db2.gz QZSUWWLLVINEEQ-PBHICJAKSA-N 2 1 301.434 2.091 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481340284 1079734433 /nfs/dbraw/zinc/73/44/33/1079734433.db2.gz PQYTZVVCLBUDQY-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481350703 1079744073 /nfs/dbraw/zinc/74/40/73/1079744073.db2.gz POLHPHAJGNVRQB-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001481350703 1079744082 /nfs/dbraw/zinc/74/40/82/1079744082.db2.gz POLHPHAJGNVRQB-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001481350703 1079744090 /nfs/dbraw/zinc/74/40/90/1079744090.db2.gz POLHPHAJGNVRQB-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001484750471 1079779447 /nfs/dbraw/zinc/77/94/47/1079779447.db2.gz JCLMCLSSHXRCEQ-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500153 1079959586 /nfs/dbraw/zinc/95/95/86/1079959586.db2.gz CXBGYJVDCFWHAX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481500153 1079959592 /nfs/dbraw/zinc/95/95/92/1079959592.db2.gz CXBGYJVDCFWHAX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481500153 1079959599 /nfs/dbraw/zinc/95/95/99/1079959599.db2.gz CXBGYJVDCFWHAX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001485110952 1079988656 /nfs/dbraw/zinc/98/86/56/1079988656.db2.gz ZNQQROSECWZKRP-VJFUWPCTSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268068821 1080015674 /nfs/dbraw/zinc/01/56/74/1080015674.db2.gz OUJQFHOJWWLKLQ-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268084447 1080040184 /nfs/dbraw/zinc/04/01/84/1080040184.db2.gz FVNSMNBMIZZDFQ-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001268124870 1080091742 /nfs/dbraw/zinc/09/17/42/1080091742.db2.gz ZCAMTWXKFVRKCU-SJLPKXTDSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127775 /nfs/dbraw/zinc/12/77/75/1080127775.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127778 /nfs/dbraw/zinc/12/77/78/1080127778.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833429 1080127781 /nfs/dbraw/zinc/12/77/81/1080127781.db2.gz QILLOAGGRNYTCC-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485582534 1080313666 /nfs/dbraw/zinc/31/36/66/1080313666.db2.gz QNTDTCUXWVCKNG-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582534 1080313673 /nfs/dbraw/zinc/31/36/73/1080313673.db2.gz QNTDTCUXWVCKNG-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582534 1080313683 /nfs/dbraw/zinc/31/36/83/1080313683.db2.gz QNTDTCUXWVCKNG-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481695225 1080314839 /nfs/dbraw/zinc/31/48/39/1080314839.db2.gz INQBFMVNLPKNBK-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268366614 1080378269 /nfs/dbraw/zinc/37/82/69/1080378269.db2.gz NZMTXSHTICKTPA-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001661752628 1080518124 /nfs/dbraw/zinc/51/81/24/1080518124.db2.gz NGNGBNKZVUHVLN-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001662315299 1080596182 /nfs/dbraw/zinc/59/61/82/1080596182.db2.gz YLKSNUDTUKVAGN-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001482010765 1080686394 /nfs/dbraw/zinc/68/63/94/1080686394.db2.gz VXIFKUSLTLSZBQ-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663120245 1080706625 /nfs/dbraw/zinc/70/66/25/1080706625.db2.gz RQLXWCFKWUERIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663120245 1080706627 /nfs/dbraw/zinc/70/66/27/1080706627.db2.gz RQLXWCFKWUERIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663120245 1080706631 /nfs/dbraw/zinc/70/66/31/1080706631.db2.gz RQLXWCFKWUERIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001482158862 1080867971 /nfs/dbraw/zinc/86/79/71/1080867971.db2.gz IDUAVRYMWFNICA-WMZOPIPTSA-N 2 1 315.461 2.045 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760045 1080956862 /nfs/dbraw/zinc/95/68/62/1080956862.db2.gz KIUHABHXFJUYGL-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665632488 1081053554 /nfs/dbraw/zinc/05/35/54/1081053554.db2.gz WAYQGTQLWWIFTO-CABCVRRESA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665632488 1081053560 /nfs/dbraw/zinc/05/35/60/1081053560.db2.gz WAYQGTQLWWIFTO-CABCVRRESA-N 2 1 304.438 2.115 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCCCCC)C1 ZINC001665671257 1081060942 /nfs/dbraw/zinc/06/09/42/1081060942.db2.gz YTKTTZBRXAIZPW-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001665671257 1081060949 /nfs/dbraw/zinc/06/09/49/1081060949.db2.gz YTKTTZBRXAIZPW-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001665671257 1081060956 /nfs/dbraw/zinc/06/09/56/1081060956.db2.gz YTKTTZBRXAIZPW-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269071614 1081109131 /nfs/dbraw/zinc/10/91/31/1081109131.db2.gz NDXLTXSXJFXCEG-AEFFLSMTSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001269097318 1081114969 /nfs/dbraw/zinc/11/49/69/1081114969.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269097318 1081114971 /nfs/dbraw/zinc/11/49/71/1081114971.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269097318 1081114972 /nfs/dbraw/zinc/11/49/72/1081114972.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269097318 1081114975 /nfs/dbraw/zinc/11/49/75/1081114975.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269097318 1081114977 /nfs/dbraw/zinc/11/49/77/1081114977.db2.gz ZZLSFPIEKIPGEZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001666219098 1081134170 /nfs/dbraw/zinc/13/41/70/1081134170.db2.gz MEPZCDNPVKSTRV-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCC1 ZINC001666771626 1081180220 /nfs/dbraw/zinc/18/02/20/1081180220.db2.gz CFMXSDAHRYOJMA-UHFFFAOYSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001269254642 1081185566 /nfs/dbraw/zinc/18/55/66/1081185566.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001269254642 1081185569 /nfs/dbraw/zinc/18/55/69/1081185569.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001269254642 1081185572 /nfs/dbraw/zinc/18/55/72/1081185572.db2.gz CWXKENOJPACXRX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001482219508 1081251747 /nfs/dbraw/zinc/25/17/47/1081251747.db2.gz KLKRENPODUIKON-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001482224732 1081268018 /nfs/dbraw/zinc/26/80/18/1081268018.db2.gz RDWDGPVXXYLOAX-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001269533051 1081280801 /nfs/dbraw/zinc/28/08/01/1081280801.db2.gz NBYWFCNOYPWCAF-HZPDHXFCSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001269554248 1081288547 /nfs/dbraw/zinc/28/85/47/1081288547.db2.gz SXSZQDNPUYFDRP-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001668431025 1081354153 /nfs/dbraw/zinc/35/41/53/1081354153.db2.gz ONSAZPUTTRPPOB-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000950616639 1081378093 /nfs/dbraw/zinc/37/80/93/1081378093.db2.gz UPEHEFKLLJZRMR-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000950616639 1081378098 /nfs/dbraw/zinc/37/80/98/1081378098.db2.gz UPEHEFKLLJZRMR-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC)CC1 ZINC001671504186 1081519945 /nfs/dbraw/zinc/51/99/45/1081519945.db2.gz QWTUORFOOWDJQZ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001671536215 1081521942 /nfs/dbraw/zinc/52/19/42/1081521942.db2.gz MGMGYUFPVUFWJO-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001671863072 1081544198 /nfs/dbraw/zinc/54/41/98/1081544198.db2.gz RAOJDXWXAXBQIC-IBGZPJMESA-N 2 1 319.493 2.267 20 30 DEEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001671916198 1081550329 /nfs/dbraw/zinc/55/03/29/1081550329.db2.gz GQECUYGAMGCMPM-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001671916198 1081550332 /nfs/dbraw/zinc/55/03/32/1081550332.db2.gz GQECUYGAMGCMPM-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001671916198 1081550336 /nfs/dbraw/zinc/55/03/36/1081550336.db2.gz GQECUYGAMGCMPM-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672424357 1081597453 /nfs/dbraw/zinc/59/74/53/1081597453.db2.gz FBVNQPKRDRDYSG-ZJPYXAASSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001672424357 1081597461 /nfs/dbraw/zinc/59/74/61/1081597461.db2.gz FBVNQPKRDRDYSG-ZJPYXAASSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001672424357 1081597473 /nfs/dbraw/zinc/59/74/73/1081597473.db2.gz FBVNQPKRDRDYSG-ZJPYXAASSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC001673242152 1081748538 /nfs/dbraw/zinc/74/85/38/1081748538.db2.gz QSTKIOHKJBPMDB-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154784 1081849372 /nfs/dbraw/zinc/84/93/72/1081849372.db2.gz MLKPVRIGFNHZBR-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154784 1081849375 /nfs/dbraw/zinc/84/93/75/1081849375.db2.gz MLKPVRIGFNHZBR-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154784 1081849377 /nfs/dbraw/zinc/84/93/77/1081849377.db2.gz MLKPVRIGFNHZBR-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154784 1081849380 /nfs/dbraw/zinc/84/93/80/1081849380.db2.gz MLKPVRIGFNHZBR-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)CC(C)C ZINC001271270915 1082002931 /nfs/dbraw/zinc/00/29/31/1082002931.db2.gz WAPWRPPSLCXYEQ-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)CC(C)C ZINC001271270915 1082002936 /nfs/dbraw/zinc/00/29/36/1082002936.db2.gz WAPWRPPSLCXYEQ-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266459827 1082051126 /nfs/dbraw/zinc/05/11/26/1082051126.db2.gz UAGZHNPPRQYPFC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266459827 1082051134 /nfs/dbraw/zinc/05/11/34/1082051134.db2.gz UAGZHNPPRQYPFC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266459827 1082051142 /nfs/dbraw/zinc/05/11/42/1082051142.db2.gz UAGZHNPPRQYPFC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266466726 1082056644 /nfs/dbraw/zinc/05/66/44/1082056644.db2.gz UMWDNFZQJIYLQF-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266466726 1082056648 /nfs/dbraw/zinc/05/66/48/1082056648.db2.gz UMWDNFZQJIYLQF-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266466726 1082056653 /nfs/dbraw/zinc/05/66/53/1082056653.db2.gz UMWDNFZQJIYLQF-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271673541 1082105175 /nfs/dbraw/zinc/10/51/75/1082105175.db2.gz IPZYBVAJMWBLFH-JKSUJKDBSA-N 2 1 309.498 2.225 20 30 DEEDMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482495845 1082121030 /nfs/dbraw/zinc/12/10/30/1082121030.db2.gz SWHLRFKYIVKTST-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001272021206 1082287070 /nfs/dbraw/zinc/28/70/70/1082287070.db2.gz XFZVISZXSGRGGQ-HNNXBMFYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001272021206 1082287077 /nfs/dbraw/zinc/28/70/77/1082287077.db2.gz XFZVISZXSGRGGQ-HNNXBMFYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395580 /nfs/dbraw/zinc/39/55/80/1083395580.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395586 /nfs/dbraw/zinc/39/55/86/1083395586.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438462 1083395598 /nfs/dbraw/zinc/39/55/98/1083395598.db2.gz BCDSYKDVUOMFBQ-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472931 1083421282 /nfs/dbraw/zinc/42/12/82/1083421282.db2.gz REJQNPZRLBQMAB-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472931 1083421285 /nfs/dbraw/zinc/42/12/85/1083421285.db2.gz REJQNPZRLBQMAB-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550547 1083474447 /nfs/dbraw/zinc/47/44/47/1083474447.db2.gz ZWTXNFJKCORNKM-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550547 1083474450 /nfs/dbraw/zinc/47/44/50/1083474450.db2.gz ZWTXNFJKCORNKM-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107550547 1083474456 /nfs/dbraw/zinc/47/44/56/1083474456.db2.gz ZWTXNFJKCORNKM-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114998368 1083694541 /nfs/dbraw/zinc/69/45/41/1083694541.db2.gz QOFJUUPHFCPDOE-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001670919468 1084142938 /nfs/dbraw/zinc/14/29/38/1084142938.db2.gz ULYGGTPCLBFJPM-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235007887 1084270228 /nfs/dbraw/zinc/27/02/28/1084270228.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235007887 1084270238 /nfs/dbraw/zinc/27/02/38/1084270238.db2.gz RWGWPIGMVLYMQX-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871054 1084398933 /nfs/dbraw/zinc/39/89/33/1084398933.db2.gz VGVAJMARAFXPMG-SFHVURJKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001486146253 1085090732 /nfs/dbraw/zinc/09/07/32/1085090732.db2.gz MKQNYRVMWQLEQO-XYJFISCASA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181948 1085109385 /nfs/dbraw/zinc/10/93/85/1085109385.db2.gz WBEZPJAPZYUICM-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001486470750 1085357667 /nfs/dbraw/zinc/35/76/67/1085357667.db2.gz FXLVTRHKRQTQBA-JCYILVPMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518905 1088299018 /nfs/dbraw/zinc/29/90/18/1088299018.db2.gz SPLWDWQNHUNYEV-MWDXBVQZSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846518 1088447727 /nfs/dbraw/zinc/44/77/27/1088447727.db2.gz RUEMLXMGLRKWFL-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846518 1088447731 /nfs/dbraw/zinc/44/77/31/1088447731.db2.gz RUEMLXMGLRKWFL-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848536 1088471520 /nfs/dbraw/zinc/47/15/20/1088471520.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848536 1088471533 /nfs/dbraw/zinc/47/15/33/1088471533.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848536 1088471545 /nfs/dbraw/zinc/47/15/45/1088471545.db2.gz ATRXTQRQUVIKFG-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850190 1088474129 /nfs/dbraw/zinc/47/41/29/1088474129.db2.gz JJYMVEDLFPQZNN-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850190 1088474145 /nfs/dbraw/zinc/47/41/45/1088474145.db2.gz JJYMVEDLFPQZNN-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850190 1088474154 /nfs/dbraw/zinc/47/41/54/1088474154.db2.gz JJYMVEDLFPQZNN-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832022 1088917913 /nfs/dbraw/zinc/91/79/13/1088917913.db2.gz JVKILWGHUUTAFI-VXNCWWDNSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114832022 1088917932 /nfs/dbraw/zinc/91/79/32/1088917932.db2.gz JVKILWGHUUTAFI-VXNCWWDNSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832022 1088917954 /nfs/dbraw/zinc/91/79/54/1088917954.db2.gz JVKILWGHUUTAFI-VXNCWWDNSA-N 2 1 321.509 2.488 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001274412535 1091230780 /nfs/dbraw/zinc/23/07/80/1091230780.db2.gz GUAUBQSKJWWEBE-LXXRFIIISA-N 2 1 307.482 2.478 20 30 DEEDMP C#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276098140 1091546747 /nfs/dbraw/zinc/54/67/47/1091546747.db2.gz ZAIMZTPSOGMPMJ-UHFFFAOYSA-N 2 1 320.440 2.489 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001276100221 1091549439 /nfs/dbraw/zinc/54/94/39/1091549439.db2.gz ZNDXHOJSKBVMNE-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275132397 1091575718 /nfs/dbraw/zinc/57/57/18/1091575718.db2.gz RNPWSRMCYWRFEJ-UHFFFAOYSA-N 2 1 320.440 2.489 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273487437 1091877679 /nfs/dbraw/zinc/87/76/79/1091877679.db2.gz KHBOWFSWNWPXQH-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001273523722 1091900693 /nfs/dbraw/zinc/90/06/93/1091900693.db2.gz DDPLEHRWRPISRW-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001273523722 1091900704 /nfs/dbraw/zinc/90/07/04/1091900704.db2.gz DDPLEHRWRPISRW-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001273523722 1091900712 /nfs/dbraw/zinc/90/07/12/1091900712.db2.gz DDPLEHRWRPISRW-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542269 1091959161 /nfs/dbraw/zinc/95/91/61/1091959161.db2.gz FWOKOTYBJHMJCV-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928018 1092332344 /nfs/dbraw/zinc/33/23/44/1092332344.db2.gz CDJWJMUKXKHVQC-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928018 1092332353 /nfs/dbraw/zinc/33/23/53/1092332353.db2.gz CDJWJMUKXKHVQC-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001275975382 1092414549 /nfs/dbraw/zinc/41/45/49/1092414549.db2.gz APSJHJKYJTWJFY-KDURUIRLSA-N 2 1 324.472 2.454 20 30 DEEDMP C#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001275975382 1092414555 /nfs/dbraw/zinc/41/45/55/1092414555.db2.gz APSJHJKYJTWJFY-KDURUIRLSA-N 2 1 324.472 2.454 20 30 DEEDMP C=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001488993086 1092871987 /nfs/dbraw/zinc/87/19/87/1092871987.db2.gz VXVXOPSTKMTYJP-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001489232982 1092998218 /nfs/dbraw/zinc/99/82/18/1092998218.db2.gz VFDIAWWIKGHAQX-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001490774873 1093524109 /nfs/dbraw/zinc/52/41/09/1093524109.db2.gz SQGFYFFEIRSFMJ-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001490774873 1093524120 /nfs/dbraw/zinc/52/41/20/1093524120.db2.gz SQGFYFFEIRSFMJ-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001490774873 1093524125 /nfs/dbraw/zinc/52/41/25/1093524125.db2.gz SQGFYFFEIRSFMJ-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490777149 1093526396 /nfs/dbraw/zinc/52/63/96/1093526396.db2.gz NAXJTJDOUSDGDN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001490803301 1093610155 /nfs/dbraw/zinc/61/01/55/1093610155.db2.gz DCTSLPBAFTWQRZ-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001490803301 1093610161 /nfs/dbraw/zinc/61/01/61/1093610161.db2.gz DCTSLPBAFTWQRZ-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001490803301 1093610166 /nfs/dbraw/zinc/61/01/66/1093610166.db2.gz DCTSLPBAFTWQRZ-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001691732611 1138216428 /nfs/dbraw/zinc/21/64/28/1138216428.db2.gz LWMWLQHZOKVSHK-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001691732611 1138216441 /nfs/dbraw/zinc/21/64/41/1138216441.db2.gz LWMWLQHZOKVSHK-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001691732611 1138216451 /nfs/dbraw/zinc/21/64/51/1138216451.db2.gz LWMWLQHZOKVSHK-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277997147 1138393595 /nfs/dbraw/zinc/39/35/95/1138393595.db2.gz ISCBXUJPSKMHRJ-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278395777 1140520914 /nfs/dbraw/zinc/52/09/14/1140520914.db2.gz KSPMTXUIAQPKMC-YJBOKZPZSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278395777 1140520926 /nfs/dbraw/zinc/52/09/26/1140520926.db2.gz KSPMTXUIAQPKMC-YJBOKZPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)COCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319239086 1140533514 /nfs/dbraw/zinc/53/35/14/1140533514.db2.gz GJYDXPOXBRYEQY-UHFFFAOYSA-N 2 1 321.440 2.260 20 30 DEEDMP N#Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246441880 1140899637 /nfs/dbraw/zinc/89/96/37/1140899637.db2.gz KSSCMASITIQJCO-GUDVDZBRSA-N 3 1 312.461 2.382 20 30 DEEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001246441880 1140899639 /nfs/dbraw/zinc/89/96/39/1140899639.db2.gz KSSCMASITIQJCO-GUDVDZBRSA-N 3 1 312.461 2.382 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246736279 1141047856 /nfs/dbraw/zinc/04/78/56/1141047856.db2.gz WPAKTBIPNSQBAJ-RZRMAFQFSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001321211538 1141085855 /nfs/dbraw/zinc/08/58/55/1141085855.db2.gz ZZPIGMKLDYYHBZ-LXXRFIIISA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001323826443 1141890369 /nfs/dbraw/zinc/89/03/69/1141890369.db2.gz ZUTAKZMJNWPKBJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894378 /nfs/dbraw/zinc/89/43/78/1141894378.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894379 /nfs/dbraw/zinc/89/43/79/1141894379.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001323860712 1141894381 /nfs/dbraw/zinc/89/43/81/1141894381.db2.gz UNNDZHWOWJOUIK-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC=C)CC1 ZINC001324419592 1142074625 /nfs/dbraw/zinc/07/46/25/1142074625.db2.gz COEVJBNJQJFYLH-UHFFFAOYSA-N 2 1 319.493 2.077 20 30 DEEDMP C#CCC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001278611345 1142344630 /nfs/dbraw/zinc/34/46/30/1142344630.db2.gz WKIUXHZSGSQLIH-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP N#C[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038929 1143029221 /nfs/dbraw/zinc/02/92/21/1143029221.db2.gz SDCLNAHXVQMDHF-GOSISDBHSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038929 1143029230 /nfs/dbraw/zinc/02/92/30/1143029230.db2.gz SDCLNAHXVQMDHF-GOSISDBHSA-N 2 1 313.445 2.249 20 30 DEEDMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254635630 1143292453 /nfs/dbraw/zinc/29/24/53/1143292453.db2.gz HFZCWYBDOKLHLS-LPHOPBHVSA-N 2 1 312.461 2.216 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001421659771 1171887247 /nfs/dbraw/zinc/88/72/47/1171887247.db2.gz UMWKIFSRZCSUGK-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001262567703 1144319783 /nfs/dbraw/zinc/31/97/83/1144319783.db2.gz ASJPUBBPMQLSDX-QGZVFWFLSA-N 2 1 308.372 2.076 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001264090745 1144461913 /nfs/dbraw/zinc/46/19/13/1144461913.db2.gz BSQJJGZDFJHSPU-SQNIBIBYSA-N 2 1 321.509 2.319 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755369 1144607557 /nfs/dbraw/zinc/60/75/57/1144607557.db2.gz OMXXYXYPVJZHPS-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265217517 1144669490 /nfs/dbraw/zinc/66/94/90/1144669490.db2.gz XUOMHIWIWDUHND-CVEARBPZSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001265372851 1144699426 /nfs/dbraw/zinc/69/94/26/1144699426.db2.gz RHSCYHCKBHDJIZ-HNNXBMFYSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265396724 1144702088 /nfs/dbraw/zinc/70/20/88/1144702088.db2.gz KILFANDSCWBSTP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265454465 1144704912 /nfs/dbraw/zinc/70/49/12/1144704912.db2.gz QVBAYOXPFPAPGN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586561 1144715479 /nfs/dbraw/zinc/71/54/79/1144715479.db2.gz JQLDKNQILLUVSW-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586561 1144715483 /nfs/dbraw/zinc/71/54/83/1144715483.db2.gz JQLDKNQILLUVSW-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654272 1144722978 /nfs/dbraw/zinc/72/29/78/1144722978.db2.gz QOOMELFPOSCCEZ-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654272 1144722980 /nfs/dbraw/zinc/72/29/80/1144722980.db2.gz QOOMELFPOSCCEZ-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001265785733 1144741263 /nfs/dbraw/zinc/74/12/63/1144741263.db2.gz GVTOAHQLZFTBPE-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001265785733 1144741265 /nfs/dbraw/zinc/74/12/65/1144741265.db2.gz GVTOAHQLZFTBPE-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266068943 1144802408 /nfs/dbraw/zinc/80/24/08/1144802408.db2.gz RWLSBINIAIYKME-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589710 1144825154 /nfs/dbraw/zinc/82/51/54/1144825154.db2.gz YWRSWFMYEXJBKC-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624395 1144826390 /nfs/dbraw/zinc/82/63/90/1144826390.db2.gz JGBIXNBPJNEYSU-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001280308902 1144835308 /nfs/dbraw/zinc/83/53/08/1144835308.db2.gz WNHBTVHYWUWQET-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001281031693 1144869143 /nfs/dbraw/zinc/86/91/43/1144869143.db2.gz WHANEBUVZZLOCL-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001316616949 1144930070 /nfs/dbraw/zinc/93/00/70/1144930070.db2.gz DGWFPIAFKDCXHZ-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001282959589 1145213811 /nfs/dbraw/zinc/21/38/11/1145213811.db2.gz VOFTVHOBWCIRJD-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001282959589 1145213818 /nfs/dbraw/zinc/21/38/18/1145213818.db2.gz VOFTVHOBWCIRJD-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001284056460 1145777713 /nfs/dbraw/zinc/77/77/13/1145777713.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001284056460 1145777721 /nfs/dbraw/zinc/77/77/21/1145777721.db2.gz GZRDFDARYCJTAU-NVXWUHKLSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284067545 1145782827 /nfs/dbraw/zinc/78/28/27/1145782827.db2.gz LXQYZXZBGOAPSK-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316680193 1147300044 /nfs/dbraw/zinc/30/00/44/1147300044.db2.gz PTDXXNFXQNODTJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001316758088 1147568863 /nfs/dbraw/zinc/56/88/63/1147568863.db2.gz NMJFOEUXUURSPU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001316758088 1147568870 /nfs/dbraw/zinc/56/88/70/1147568870.db2.gz NMJFOEUXUURSPU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001316758088 1147568880 /nfs/dbraw/zinc/56/88/80/1147568880.db2.gz NMJFOEUXUURSPU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001316937900 1147574341 /nfs/dbraw/zinc/57/43/41/1147574341.db2.gz ROGDMJQSDPJVCY-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316773873 1147596933 /nfs/dbraw/zinc/59/69/33/1147596933.db2.gz YKODSFOUUGLKNM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317018036 1147648701 /nfs/dbraw/zinc/64/87/01/1147648701.db2.gz XTGODFKSGGIPQO-DLBZAZTESA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317037295 1147651536 /nfs/dbraw/zinc/65/15/36/1147651536.db2.gz PTDREBMXYZXXIX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317037295 1147651538 /nfs/dbraw/zinc/65/15/38/1147651538.db2.gz PTDREBMXYZXXIX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317037295 1147651540 /nfs/dbraw/zinc/65/15/40/1147651540.db2.gz PTDREBMXYZXXIX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001317082248 1147657515 /nfs/dbraw/zinc/65/75/15/1147657515.db2.gz LNNRXYABHRGUGU-XSLAGTTESA-N 2 1 319.493 2.003 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001317082248 1147657517 /nfs/dbraw/zinc/65/75/17/1147657517.db2.gz LNNRXYABHRGUGU-XSLAGTTESA-N 2 1 319.493 2.003 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317313110 1147689483 /nfs/dbraw/zinc/68/94/83/1147689483.db2.gz NPSJKUBPFFUAPT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317321001 1147690445 /nfs/dbraw/zinc/69/04/45/1147690445.db2.gz DMBGQBDSMZBGSI-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317759928 1147749907 /nfs/dbraw/zinc/74/99/07/1147749907.db2.gz VWTYZCZWNVZXSQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317759928 1147749909 /nfs/dbraw/zinc/74/99/09/1147749909.db2.gz VWTYZCZWNVZXSQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317759928 1147749911 /nfs/dbraw/zinc/74/99/11/1147749911.db2.gz VWTYZCZWNVZXSQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317759928 1147749912 /nfs/dbraw/zinc/74/99/12/1147749912.db2.gz VWTYZCZWNVZXSQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317852830 1147757761 /nfs/dbraw/zinc/75/77/61/1147757761.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317852830 1147757763 /nfs/dbraw/zinc/75/77/63/1147757763.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317852830 1147757765 /nfs/dbraw/zinc/75/77/65/1147757765.db2.gz INRAPQLFXRALPG-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317970878 1147763896 /nfs/dbraw/zinc/76/38/96/1147763896.db2.gz ORHCAUFSPMYKAD-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317970878 1147763898 /nfs/dbraw/zinc/76/38/98/1147763898.db2.gz ORHCAUFSPMYKAD-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324943145 1147860718 /nfs/dbraw/zinc/86/07/18/1147860718.db2.gz DPTHFBPGAARGAH-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324943145 1147860720 /nfs/dbraw/zinc/86/07/20/1147860720.db2.gz DPTHFBPGAARGAH-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713326 529774382 /nfs/dbraw/zinc/77/43/82/529774382.db2.gz ISVBNYVSLXWVOP-MOPGFXCFSA-N 2 1 312.461 2.216 20 30 DEEDMP CCNC(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)=[NH+]CC ZINC000066242515 354705576 /nfs/dbraw/zinc/70/55/76/354705576.db2.gz DFGGDVOHGNCSPN-KRWDZBQOSA-N 2 1 318.465 2.407 20 30 DEEDMP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000075007877 355064447 /nfs/dbraw/zinc/06/44/47/355064447.db2.gz UUBHHLMTYQOPNS-MRXNPFEDSA-N 2 1 306.454 2.253 20 30 DEEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083031547 355462431 /nfs/dbraw/zinc/46/24/31/355462431.db2.gz VLDWCEYJDHYOSD-GDBMZVCRSA-N 2 1 316.449 2.146 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000578997904 356904953 /nfs/dbraw/zinc/90/49/53/356904953.db2.gz LLMNXWMCNQDNGJ-SFHVURJKSA-N 2 1 318.461 2.283 20 30 DEEDMP CN(CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C1CC[NH+](C)CC1 ZINC000180931692 199229631 /nfs/dbraw/zinc/22/96/31/199229631.db2.gz HDXXCXNVXXWVKG-UHFFFAOYSA-N 2 1 318.440 2.155 20 30 DEEDMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000443978512 238133349 /nfs/dbraw/zinc/13/33/49/238133349.db2.gz HVRKRRWIERWFKE-SFHVURJKSA-N 2 1 301.434 2.193 20 30 DEEDMP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCCCC#N ZINC000611287806 361572780 /nfs/dbraw/zinc/57/27/80/361572780.db2.gz OXAOHEMXZQWAKR-HZPDHXFCSA-N 2 1 315.417 2.029 20 30 DEEDMP C=C(C)COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000678343565 541716094 /nfs/dbraw/zinc/71/60/94/541716094.db2.gz VOWYQCFLQPKPMO-HOTGVXAUSA-N 2 1 302.418 2.301 20 30 DEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533903 197120634 /nfs/dbraw/zinc/12/06/34/197120634.db2.gz DUVOQICUCXPGBK-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533903 197120636 /nfs/dbraw/zinc/12/06/36/197120636.db2.gz DUVOQICUCXPGBK-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533903 197120638 /nfs/dbraw/zinc/12/06/38/197120638.db2.gz DUVOQICUCXPGBK-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533903 197120639 /nfs/dbraw/zinc/12/06/39/197120639.db2.gz DUVOQICUCXPGBK-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152340484 402090437 /nfs/dbraw/zinc/09/04/37/402090437.db2.gz JGZIGMGCOZAIEW-MRXNPFEDSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152340484 402090440 /nfs/dbraw/zinc/09/04/40/402090440.db2.gz JGZIGMGCOZAIEW-MRXNPFEDSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152340484 402090444 /nfs/dbraw/zinc/09/04/44/402090444.db2.gz JGZIGMGCOZAIEW-MRXNPFEDSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1ccccc1[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000066244076 402129396 /nfs/dbraw/zinc/12/93/96/402129396.db2.gz QJTNYEASEJMKFW-INIZCTEOSA-N 2 1 316.449 2.289 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC(C)(C)C ZINC000103894638 402194303 /nfs/dbraw/zinc/19/43/03/402194303.db2.gz GOVGYZWXJXPEAB-UHFFFAOYSA-N 2 1 314.437 2.429 20 30 DEEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000161507236 402389879 /nfs/dbraw/zinc/38/98/79/402389879.db2.gz FVMKERPQUDWYPE-OAHLLOKOSA-N 2 1 318.465 2.112 20 30 DEEDMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000171689662 402610231 /nfs/dbraw/zinc/61/02/31/402610231.db2.gz XELAMVMFVUGEQO-UHFFFAOYSA-N 2 1 314.433 2.349 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171723078 402615009 /nfs/dbraw/zinc/61/50/09/402615009.db2.gz RASMFLQOEFRPFQ-HZPDHXFCSA-N 2 1 322.497 2.056 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N[C@H]1C[C@H]1C ZINC000262834227 402734963 /nfs/dbraw/zinc/73/49/63/402734963.db2.gz SACUMAWELNUGBB-VHDGCEQUSA-N 2 1 304.438 2.298 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCC)CC1 ZINC000175474493 402809525 /nfs/dbraw/zinc/80/95/25/402809525.db2.gz PLDRMBDWEMZIQQ-UHFFFAOYSA-N 2 1 310.486 2.058 20 30 DEEDMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCC#N)CC1 ZINC000266914126 402999350 /nfs/dbraw/zinc/99/93/50/402999350.db2.gz JYNSAQFTQQEQTJ-UHFFFAOYSA-N 2 1 316.449 2.053 20 30 DEEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346856267 403604947 /nfs/dbraw/zinc/60/49/47/403604947.db2.gz VUOTYCDIRNSDBP-XHSDSOJGSA-N 2 1 302.418 2.298 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000295047340 403742386 /nfs/dbraw/zinc/74/23/86/403742386.db2.gz PYQNEGNPTQBEEV-MRXNPFEDSA-N 2 1 313.445 2.419 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000295047340 403742391 /nfs/dbraw/zinc/74/23/91/403742391.db2.gz PYQNEGNPTQBEEV-MRXNPFEDSA-N 2 1 313.445 2.419 20 30 DEEDMP C=CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000348171958 404047249 /nfs/dbraw/zinc/04/72/49/404047249.db2.gz WSQVSECORSEHDY-SFHVURJKSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000348171958 404047260 /nfs/dbraw/zinc/04/72/60/404047260.db2.gz WSQVSECORSEHDY-SFHVURJKSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000348171958 404047266 /nfs/dbraw/zinc/04/72/66/404047266.db2.gz WSQVSECORSEHDY-SFHVURJKSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000348171958 404047273 /nfs/dbraw/zinc/04/72/73/404047273.db2.gz WSQVSECORSEHDY-SFHVURJKSA-N 2 1 303.450 2.428 20 30 DEEDMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000329711876 404429111 /nfs/dbraw/zinc/42/91/11/404429111.db2.gz PEGSVBNTDQSNAB-KKUMJFAQSA-N 2 1 324.469 2.112 20 30 DEEDMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000329711876 404429122 /nfs/dbraw/zinc/42/91/22/404429122.db2.gz PEGSVBNTDQSNAB-KKUMJFAQSA-N 2 1 324.469 2.112 20 30 DEEDMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000329711876 404429133 /nfs/dbraw/zinc/42/91/33/404429133.db2.gz PEGSVBNTDQSNAB-KKUMJFAQSA-N 2 1 324.469 2.112 20 30 DEEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422973486 405693672 /nfs/dbraw/zinc/69/36/72/405693672.db2.gz BYOOIJRFPAANGL-JLJPHGGASA-N 2 1 316.424 2.396 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569803959 406304692 /nfs/dbraw/zinc/30/46/92/406304692.db2.gz GTCPLBAIUWYVEC-CGTJXYLNSA-N 2 1 318.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640603058 406565684 /nfs/dbraw/zinc/56/56/84/406565684.db2.gz NFHZYKDODGMARR-UHFFFAOYSA-N 2 1 317.437 2.310 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655426 425195869 /nfs/dbraw/zinc/19/58/69/425195869.db2.gz MIQMHQHJTCYEHZ-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940582 425691798 /nfs/dbraw/zinc/69/17/98/425691798.db2.gz CXQKSDCBFWWKLI-JKSUJKDBSA-N 2 1 303.454 2.066 20 30 DEEDMP C[C@H](CCC#N)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411437941 298364265 /nfs/dbraw/zinc/36/42/65/298364265.db2.gz BBMBHZZNEQYJJR-BRWVUGGUSA-N 2 1 323.481 2.269 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000563529233 333619855 /nfs/dbraw/zinc/61/98/55/333619855.db2.gz TZYKDGCWVNGABV-SFHVURJKSA-N 2 1 318.461 2.365 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1C ZINC001329953600 1149021901 /nfs/dbraw/zinc/02/19/01/1149021901.db2.gz ONFRYVCUMDJVDT-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329953600 1149021907 /nfs/dbraw/zinc/02/19/07/1149021907.db2.gz ONFRYVCUMDJVDT-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329953600 1149021914 /nfs/dbraw/zinc/02/19/14/1149021914.db2.gz ONFRYVCUMDJVDT-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001330022886 1149035769 /nfs/dbraw/zinc/03/57/69/1149035769.db2.gz VJLOZDRSKZGYRC-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264100083 533988091 /nfs/dbraw/zinc/98/80/91/533988091.db2.gz NVOSUSLDQKWYDR-CYBMUJFWSA-N 2 1 320.437 2.162 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)N1 ZINC000262628009 533990997 /nfs/dbraw/zinc/99/09/97/533990997.db2.gz DXHWMFQSWIZYGT-GJZGRUSLSA-N 2 1 300.450 2.356 20 30 DEEDMP CNC(NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040683 526344451 /nfs/dbraw/zinc/34/44/51/526344451.db2.gz RWONCXRVOWGJTH-BXUZGUMPSA-N 2 1 312.820 2.267 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426417746 527650024 /nfs/dbraw/zinc/65/00/24/527650024.db2.gz CCCJILJLKIALAG-ZWKOTPCHSA-N 2 1 319.493 2.428 20 30 DEEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262772093 528805708 /nfs/dbraw/zinc/80/57/08/528805708.db2.gz IYPVSNGVHCLNCK-UKRRQHHQSA-N 2 1 324.538 2.310 20 30 DEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528613 1148579782 /nfs/dbraw/zinc/57/97/82/1148579782.db2.gz BOVKDVINOIJAPU-PKOBYXMFSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466424 625283047 /nfs/dbraw/zinc/28/30/47/625283047.db2.gz CQMKBNQVRPFFBD-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001026369156 625367362 /nfs/dbraw/zinc/36/73/62/625367362.db2.gz ULSOZMRFUMYCHM-ARFHVFGLSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310601 625436657 /nfs/dbraw/zinc/43/66/57/625436657.db2.gz UOHGOJIOFDWBJM-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450048 625445025 /nfs/dbraw/zinc/44/50/25/625445025.db2.gz CKRUARAWZXWEQJ-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475146 625467392 /nfs/dbraw/zinc/46/73/92/625467392.db2.gz RRQJUCWUCYICBO-RDJZCZTQSA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144899 622589412 /nfs/dbraw/zinc/58/94/12/622589412.db2.gz WCDZEKWQYSPZBX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144899 622589414 /nfs/dbraw/zinc/58/94/14/622589414.db2.gz WCDZEKWQYSPZBX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144899 622589416 /nfs/dbraw/zinc/58/94/16/622589416.db2.gz WCDZEKWQYSPZBX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575934 623780105 /nfs/dbraw/zinc/78/01/05/623780105.db2.gz PFRCHBKHHFQJIA-HOTGVXAUSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636350 623871947 /nfs/dbraw/zinc/87/19/47/623871947.db2.gz POSAIMZYDWLCTC-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636350 623871957 /nfs/dbraw/zinc/87/19/57/623871957.db2.gz POSAIMZYDWLCTC-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636536 623872056 /nfs/dbraw/zinc/87/20/56/623872056.db2.gz QSMCMGDOHJUFLA-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636536 623872060 /nfs/dbraw/zinc/87/20/60/623872060.db2.gz QSMCMGDOHJUFLA-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998769000 634398705 /nfs/dbraw/zinc/39/87/05/634398705.db2.gz HQGQGYSUUIUVAF-HJOIGYKYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972333900 624932672 /nfs/dbraw/zinc/93/26/72/624932672.db2.gz ZDEZTTGGXBOGEL-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448139 625772324 /nfs/dbraw/zinc/77/23/24/625772324.db2.gz DKPGWVUAZFCCCK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448139 625772331 /nfs/dbraw/zinc/77/23/31/625772331.db2.gz DKPGWVUAZFCCCK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448139 625772336 /nfs/dbraw/zinc/77/23/36/625772336.db2.gz DKPGWVUAZFCCCK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501691 625823826 /nfs/dbraw/zinc/82/38/26/625823826.db2.gz HSIQOMBLFIDERX-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024513902 625830707 /nfs/dbraw/zinc/83/07/07/625830707.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513902 625830710 /nfs/dbraw/zinc/83/07/10/625830710.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513902 625830713 /nfs/dbraw/zinc/83/07/13/625830713.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513902 625830716 /nfs/dbraw/zinc/83/07/16/625830716.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513902 625830718 /nfs/dbraw/zinc/83/07/18/625830718.db2.gz ULMXRHZWULUEIO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024614580 625932930 /nfs/dbraw/zinc/93/29/30/625932930.db2.gz JDNCHCLHXXLZBI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024614580 625932935 /nfs/dbraw/zinc/93/29/35/625932935.db2.gz JDNCHCLHXXLZBI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024614580 625932940 /nfs/dbraw/zinc/93/29/40/625932940.db2.gz JDNCHCLHXXLZBI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024614578 625933342 /nfs/dbraw/zinc/93/33/42/625933342.db2.gz JDNCHCLHXXLZBI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024614578 625933343 /nfs/dbraw/zinc/93/33/43/625933343.db2.gz JDNCHCLHXXLZBI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024614578 625933344 /nfs/dbraw/zinc/93/33/44/625933344.db2.gz JDNCHCLHXXLZBI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979083387 634495790 /nfs/dbraw/zinc/49/57/90/634495790.db2.gz YMPIJIIBIQRLHM-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979083387 634495792 /nfs/dbraw/zinc/49/57/92/634495792.db2.gz YMPIJIIBIQRLHM-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979083387 634495796 /nfs/dbraw/zinc/49/57/96/634495796.db2.gz YMPIJIIBIQRLHM-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000999308096 634557120 /nfs/dbraw/zinc/55/71/20/634557120.db2.gz PIOALHIPJUVQAM-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999554193 634625499 /nfs/dbraw/zinc/62/54/99/634625499.db2.gz BXNYHTHWPMKPMM-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995896389 633135660 /nfs/dbraw/zinc/13/56/60/633135660.db2.gz NGZCXSGZCXVDHT-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995999715 633158617 /nfs/dbraw/zinc/15/86/17/633158617.db2.gz ZLKYHPJSGVVPQU-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374289 633249877 /nfs/dbraw/zinc/24/98/77/633249877.db2.gz JHIQPSHIAZGAJN-CQSZACIVSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996376380 633250672 /nfs/dbraw/zinc/25/06/72/633250672.db2.gz OLKVZWMEXWPBQW-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000996749624 633394604 /nfs/dbraw/zinc/39/46/04/633394604.db2.gz SJIQTKSEGBYDCU-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045646 633396842 /nfs/dbraw/zinc/39/68/42/633396842.db2.gz BNQGYHFZURQXMY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045646 633396849 /nfs/dbraw/zinc/39/68/49/633396849.db2.gz BNQGYHFZURQXMY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997078457 633567478 /nfs/dbraw/zinc/56/74/78/633567478.db2.gz JGYVQMWWHWQCJM-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997161597 633658704 /nfs/dbraw/zinc/65/87/04/633658704.db2.gz DRKCBXZZESDZKK-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997369186 633720987 /nfs/dbraw/zinc/72/09/87/633720987.db2.gz MDKFZOIQIPNFEK-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997586722 633886468 /nfs/dbraw/zinc/88/64/68/633886468.db2.gz OBQQXEZYIXPEFY-BHYGNILZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980144762 634861664 /nfs/dbraw/zinc/86/16/64/634861664.db2.gz BNEOYZGNCDMGPP-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027919016 634966073 /nfs/dbraw/zinc/96/60/73/634966073.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919016 634966075 /nfs/dbraw/zinc/96/60/75/634966075.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919016 634966079 /nfs/dbraw/zinc/96/60/79/634966079.db2.gz SFAOGQAXQRMTOR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001000335730 635146704 /nfs/dbraw/zinc/14/67/04/635146704.db2.gz CVNOSENWLBGJON-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028054262 635384657 /nfs/dbraw/zinc/38/46/57/635384657.db2.gz VBHIDDCQGPNVSE-SFHVURJKSA-N 2 1 322.412 2.090 20 30 DEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001352801 635471549 /nfs/dbraw/zinc/47/15/49/635471549.db2.gz BCNJCIJZDJQWQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001352801 635471553 /nfs/dbraw/zinc/47/15/53/635471553.db2.gz BCNJCIJZDJQWQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001001352801 635471554 /nfs/dbraw/zinc/47/15/54/635471554.db2.gz BCNJCIJZDJQWQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001028130825 635677166 /nfs/dbraw/zinc/67/71/66/635677166.db2.gz WOWYTJCTRYKTCZ-CABCVRRESA-N 2 1 316.449 2.376 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283456 635944871 /nfs/dbraw/zinc/94/48/71/635944871.db2.gz SNTYHIQEOJNHMC-OGWHTMIXSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283456 635944873 /nfs/dbraw/zinc/94/48/73/635944873.db2.gz SNTYHIQEOJNHMC-OGWHTMIXSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283456 635944875 /nfs/dbraw/zinc/94/48/75/635944875.db2.gz SNTYHIQEOJNHMC-OGWHTMIXSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579550 636371644 /nfs/dbraw/zinc/37/16/44/636371644.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579550 636371647 /nfs/dbraw/zinc/37/16/47/636371647.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579550 636371653 /nfs/dbraw/zinc/37/16/53/636371653.db2.gz GVXBKDKFHHTEJT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982831218 636495419 /nfs/dbraw/zinc/49/54/19/636495419.db2.gz JFRDEQSOZVUJIN-KDURUIRLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709581 636654837 /nfs/dbraw/zinc/65/48/37/636654837.db2.gz BGBCEZCYKODBHJ-MRXNPFEDSA-N 2 1 315.461 2.028 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005502344 636753814 /nfs/dbraw/zinc/75/38/14/636753814.db2.gz DAYNYCGCMZCQFL-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919043 636851104 /nfs/dbraw/zinc/85/11/04/636851104.db2.gz PVJKNNVJHRKGCX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919043 636851105 /nfs/dbraw/zinc/85/11/05/636851105.db2.gz PVJKNNVJHRKGCX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919043 636851107 /nfs/dbraw/zinc/85/11/07/636851107.db2.gz PVJKNNVJHRKGCX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003284 636945320 /nfs/dbraw/zinc/94/53/20/636945320.db2.gz KHRNPPCLVQMMBN-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003284 636945324 /nfs/dbraw/zinc/94/53/24/636945324.db2.gz KHRNPPCLVQMMBN-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003284 636945326 /nfs/dbraw/zinc/94/53/26/636945326.db2.gz KHRNPPCLVQMMBN-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003284 636945328 /nfs/dbraw/zinc/94/53/28/636945328.db2.gz KHRNPPCLVQMMBN-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006299298 637339648 /nfs/dbraw/zinc/33/96/48/637339648.db2.gz XMDSDXOJDBCTJA-UHFFFAOYSA-N 2 1 316.449 2.260 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895098356 637554071 /nfs/dbraw/zinc/55/40/71/637554071.db2.gz JXDDMTDYRNSUMI-BHIYHBOVSA-N 2 1 300.446 2.261 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000901233437 642601411 /nfs/dbraw/zinc/60/14/11/642601411.db2.gz LYKUPKIBLFSJAT-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722524 643438954 /nfs/dbraw/zinc/43/89/54/643438954.db2.gz MAFQYMPBIMMYMY-RTBURBONSA-N 2 1 316.445 2.452 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621649 /nfs/dbraw/zinc/62/16/49/643621649.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621651 /nfs/dbraw/zinc/62/16/51/643621651.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991044938 643621655 /nfs/dbraw/zinc/62/16/55/643621655.db2.gz SENJBIKSXWOVBZ-JENIJYKNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000908230550 644788542 /nfs/dbraw/zinc/78/85/42/644788542.db2.gz PCCKNMIOFWIHMD-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP CC#CCN1CC[C@@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@H]12 ZINC000991380898 646040690 /nfs/dbraw/zinc/04/06/90/646040690.db2.gz AOICXLKDKUAWSZ-HKUYNNGSSA-N 2 1 322.412 2.313 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991624474 646549710 /nfs/dbraw/zinc/54/97/10/646549710.db2.gz MVWDMMJIDRYLPD-PKOBYXMFSA-N 2 1 322.412 2.084 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991857673 646671142 /nfs/dbraw/zinc/67/11/42/646671142.db2.gz DUGJISTVIWIVMZ-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991857673 646671143 /nfs/dbraw/zinc/67/11/43/646671143.db2.gz DUGJISTVIWIVMZ-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992117486 646857815 /nfs/dbraw/zinc/85/78/15/646857815.db2.gz KMLLNZWRMCSQKR-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992117486 646857818 /nfs/dbraw/zinc/85/78/18/646857818.db2.gz KMLLNZWRMCSQKR-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992117486 646857822 /nfs/dbraw/zinc/85/78/22/646857822.db2.gz KMLLNZWRMCSQKR-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992117486 646857824 /nfs/dbraw/zinc/85/78/24/646857824.db2.gz KMLLNZWRMCSQKR-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992117485 646858533 /nfs/dbraw/zinc/85/85/33/646858533.db2.gz KMLLNZWRMCSQKR-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992117485 646858535 /nfs/dbraw/zinc/85/85/35/646858535.db2.gz KMLLNZWRMCSQKR-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992117485 646858537 /nfs/dbraw/zinc/85/85/37/646858537.db2.gz KMLLNZWRMCSQKR-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992117485 646858541 /nfs/dbraw/zinc/85/85/41/646858541.db2.gz KMLLNZWRMCSQKR-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171298 646884271 /nfs/dbraw/zinc/88/42/71/646884271.db2.gz XIOCPELGJNQNCL-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992284820 646928833 /nfs/dbraw/zinc/92/88/33/646928833.db2.gz LZEFNMBTGBFOFA-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000815651844 647038374 /nfs/dbraw/zinc/03/83/74/647038374.db2.gz GCKIGTCPAOUAPP-INIZCTEOSA-N 2 1 302.418 2.454 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000815651844 647038378 /nfs/dbraw/zinc/03/83/78/647038378.db2.gz GCKIGTCPAOUAPP-INIZCTEOSA-N 2 1 302.418 2.454 20 30 DEEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC ZINC000817918283 647380853 /nfs/dbraw/zinc/38/08/53/647380853.db2.gz KNZWFHKSVPTNCM-ILXRZTDVSA-N 2 1 303.406 2.346 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993322229 647603290 /nfs/dbraw/zinc/60/32/90/647603290.db2.gz CFZWZTYMDTXQNN-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993683282 647725176 /nfs/dbraw/zinc/72/51/76/647725176.db2.gz MJXUYUIIVFHJOI-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993683285 647725558 /nfs/dbraw/zinc/72/55/58/647725558.db2.gz MJXUYUIIVFHJOI-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994162360 647797660 /nfs/dbraw/zinc/79/76/60/647797660.db2.gz ACJRUILHMYKPTF-MAUKXSAKSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842950 648955359 /nfs/dbraw/zinc/95/53/59/648955359.db2.gz TUSKXVQCAWHMLT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842950 648955362 /nfs/dbraw/zinc/95/53/62/648955362.db2.gz TUSKXVQCAWHMLT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842950 648955363 /nfs/dbraw/zinc/95/53/63/648955363.db2.gz TUSKXVQCAWHMLT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865207 648957778 /nfs/dbraw/zinc/95/77/78/648957778.db2.gz UJYXJPGAKMKBBC-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943284 648974998 /nfs/dbraw/zinc/97/49/98/648974998.db2.gz KRWSYWCPKYYNFD-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978710 /nfs/dbraw/zinc/97/87/10/648978710.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978713 /nfs/dbraw/zinc/97/87/13/648978713.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980855 648978717 /nfs/dbraw/zinc/97/87/17/648978717.db2.gz ZVLQGJXYGZKYMF-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052288 649142839 /nfs/dbraw/zinc/14/28/39/649142839.db2.gz DVUNPHUYXSRTSV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942821179 649289697 /nfs/dbraw/zinc/28/96/97/649289697.db2.gz CVXFVFWIOKPLHR-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CC#C)C2)C1 ZINC000829804315 649359010 /nfs/dbraw/zinc/35/90/10/649359010.db2.gz GOQXAGODUIEUFT-PMACEKPBSA-N 2 1 316.489 2.474 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948552677 649518078 /nfs/dbraw/zinc/51/80/78/649518078.db2.gz AFNZMZMXBIUCHX-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948552677 649518079 /nfs/dbraw/zinc/51/80/79/649518079.db2.gz AFNZMZMXBIUCHX-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000848996582 651576132 /nfs/dbraw/zinc/57/61/32/651576132.db2.gz HHYKHWPBXIGPQM-MRXNPFEDSA-N 2 1 300.450 2.226 20 30 DEEDMP C[NH+]=C(NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000849026428 651586605 /nfs/dbraw/zinc/58/66/05/651586605.db2.gz ZKHWFHUPCKMIDT-GOSISDBHSA-N 2 1 300.450 2.226 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392149564 1156876721 /nfs/dbraw/zinc/87/67/21/1156876721.db2.gz HECMWJNXCFRIJV-RBSFLKMASA-N 2 1 315.889 2.200 20 30 DEEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304745542 685258751 /nfs/dbraw/zinc/25/87/51/685258751.db2.gz FFFFUKRVUAWWSS-CYBMUJFWSA-N 2 1 320.437 2.305 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750470 685258840 /nfs/dbraw/zinc/25/88/40/685258840.db2.gz ILVBQWVKCFBIPT-MRXNPFEDSA-N 2 1 318.465 2.153 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000304750106 685258929 /nfs/dbraw/zinc/25/89/29/685258929.db2.gz IDWMBZIENFTLPO-NVXWUHKLSA-N 2 1 302.466 2.487 20 30 DEEDMP COc1cccc(NC(=[NH2+])NCCCCn2cc[nH+]c2C)c1 ZINC000304761252 685260187 /nfs/dbraw/zinc/26/01/87/685260187.db2.gz UCPYEUWVSDBUME-UHFFFAOYSA-N 2 1 301.394 2.407 20 30 DEEDMP CC[C@H](C[NH+]=C(N(C)C)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000104167609 684058553 /nfs/dbraw/zinc/05/85/53/684058553.db2.gz NWFURWAYIWJFQW-QGZVFWFLSA-N 2 1 302.466 2.303 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165565 693868230 /nfs/dbraw/zinc/86/82/30/693868230.db2.gz KILTZDJWYVIELB-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165565 693868233 /nfs/dbraw/zinc/86/82/33/693868233.db2.gz KILTZDJWYVIELB-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302328 685037055 /nfs/dbraw/zinc/03/70/55/685037055.db2.gz LBLCXPCJDHFCNO-OWCLPIDISA-N 2 1 304.413 2.070 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000303880304 685237574 /nfs/dbraw/zinc/23/75/74/685237574.db2.gz HCJZYORYYZUHIW-HZPDHXFCSA-N 2 1 302.466 2.254 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982547 685242434 /nfs/dbraw/zinc/24/24/34/685242434.db2.gz QHJYIZACXLJALC-MRXNPFEDSA-N 2 1 314.477 2.415 20 30 DEEDMP CN(CC[N@@H+](C)CC1CCC(C#N)CC1)C1CC[NH+](C)CC1 ZINC000930112281 694093040 /nfs/dbraw/zinc/09/30/40/694093040.db2.gz BWMAAODBHDZHOI-UHFFFAOYSA-N 2 1 306.498 2.274 20 30 DEEDMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865846950 687353971 /nfs/dbraw/zinc/35/39/71/687353971.db2.gz BRBUKJMWSYAEIE-HNNXBMFYSA-N 2 1 312.442 2.333 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001018300614 688104529 /nfs/dbraw/zinc/10/45/29/688104529.db2.gz CCGSHIYHIIPREB-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001018300614 688104534 /nfs/dbraw/zinc/10/45/34/688104534.db2.gz CCGSHIYHIIPREB-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018300614 688104538 /nfs/dbraw/zinc/10/45/38/688104538.db2.gz CCGSHIYHIIPREB-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018300614 688104541 /nfs/dbraw/zinc/10/45/41/688104541.db2.gz CCGSHIYHIIPREB-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000784 688548269 /nfs/dbraw/zinc/54/82/69/688548269.db2.gz JMQNXIYTDMEUBZ-MRXNPFEDSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155967 688940188 /nfs/dbraw/zinc/94/01/88/688940188.db2.gz BPKKXIQWZKDNHG-YQQAZPJKSA-N 2 1 307.482 2.297 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767284 688992963 /nfs/dbraw/zinc/99/29/63/688992963.db2.gz UXLHXGCAEUUYBW-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665051 689217800 /nfs/dbraw/zinc/21/78/00/689217800.db2.gz XSIFJZGVPSZAGK-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033125432 689398095 /nfs/dbraw/zinc/39/80/95/689398095.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125432 689398097 /nfs/dbraw/zinc/39/80/97/689398097.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125432 689398100 /nfs/dbraw/zinc/39/81/00/689398100.db2.gz DSBPMUADQVQTRN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941817 689669057 /nfs/dbraw/zinc/66/90/57/689669057.db2.gz SGIZDKXPTCFESC-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003725 689689450 /nfs/dbraw/zinc/68/94/50/689689450.db2.gz HJKYPECBDACKEP-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284473 689794497 /nfs/dbraw/zinc/79/44/97/689794497.db2.gz KRWHMWVQRMAGMP-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285372 689795314 /nfs/dbraw/zinc/79/53/14/689795314.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285372 689795317 /nfs/dbraw/zinc/79/53/17/689795317.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285372 689795319 /nfs/dbraw/zinc/79/53/19/689795319.db2.gz CMRXWWSEAFSBLN-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328815 689810279 /nfs/dbraw/zinc/81/02/79/689810279.db2.gz DUPYUSFSELJMQU-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034486182 689869653 /nfs/dbraw/zinc/86/96/53/689869653.db2.gz XVDWPJFPHUAAGH-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034486182 689869656 /nfs/dbraw/zinc/86/96/56/689869656.db2.gz XVDWPJFPHUAAGH-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538243 689891133 /nfs/dbraw/zinc/89/11/33/689891133.db2.gz KBZWERBIDWVKDA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538243 689891137 /nfs/dbraw/zinc/89/11/37/689891137.db2.gz KBZWERBIDWVKDA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538243 689891140 /nfs/dbraw/zinc/89/11/40/689891140.db2.gz KBZWERBIDWVKDA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034663003 689922405 /nfs/dbraw/zinc/92/24/05/689922405.db2.gz NSAHXAZMKJRPCT-ULQDDVLXSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000876740352 689923265 /nfs/dbraw/zinc/92/32/65/689923265.db2.gz LTCQWBBZOOHOKU-ZIAGYGMSSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034674067 689924278 /nfs/dbraw/zinc/92/42/78/689924278.db2.gz KLQHPXUJABGKPS-KKUMJFAQSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876776062 689933974 /nfs/dbraw/zinc/93/39/74/689933974.db2.gz DRYBXPBHDGMTQK-KBMXLJTQSA-N 2 1 321.852 2.236 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184941 690053908 /nfs/dbraw/zinc/05/39/08/690053908.db2.gz IBKKVZBMJWACRH-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184941 690053913 /nfs/dbraw/zinc/05/39/13/690053913.db2.gz IBKKVZBMJWACRH-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184941 690053914 /nfs/dbraw/zinc/05/39/14/690053914.db2.gz IBKKVZBMJWACRH-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C[C@]12CN(C[C@H](O)CC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931223614 694343666 /nfs/dbraw/zinc/34/36/66/694343666.db2.gz DRHQXEYANHJHQS-QRVBRYPASA-N 2 1 313.445 2.105 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035794662 690178267 /nfs/dbraw/zinc/17/82/67/690178267.db2.gz IPRPFOBTLMRFOD-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP COCC[N@H+](Cc1ccc(C#N)cc1F)CC1CC[NH+](C)CC1 ZINC000877664830 690182894 /nfs/dbraw/zinc/18/28/94/690182894.db2.gz YKEYVULWNUCPQC-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036852676 690499333 /nfs/dbraw/zinc/49/93/33/690499333.db2.gz HVOJRAWQTBZDNG-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896814 690519778 /nfs/dbraw/zinc/51/97/78/690519778.db2.gz UTXZJRGSQGEGFD-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896814 690519781 /nfs/dbraw/zinc/51/97/81/690519781.db2.gz UTXZJRGSQGEGFD-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557574 690857992 /nfs/dbraw/zinc/85/79/92/690857992.db2.gz VPGUFEAAFLSSJV-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863765 690948557 /nfs/dbraw/zinc/94/85/57/690948557.db2.gz NKBFNGROFUNFEJ-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038908880 690963472 /nfs/dbraw/zinc/96/34/72/690963472.db2.gz NVXZQGLGBTYUCL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038908880 690963473 /nfs/dbraw/zinc/96/34/73/690963473.db2.gz NVXZQGLGBTYUCL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038908880 690963474 /nfs/dbraw/zinc/96/34/74/690963474.db2.gz NVXZQGLGBTYUCL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038908879 690963655 /nfs/dbraw/zinc/96/36/55/690963655.db2.gz NVXZQGLGBTYUCL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038908879 690963658 /nfs/dbraw/zinc/96/36/58/690963658.db2.gz NVXZQGLGBTYUCL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038908879 690963660 /nfs/dbraw/zinc/96/36/60/690963660.db2.gz NVXZQGLGBTYUCL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036613 /nfs/dbraw/zinc/03/66/13/691036613.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036615 /nfs/dbraw/zinc/03/66/15/691036615.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163332 691036618 /nfs/dbraw/zinc/03/66/18/691036618.db2.gz AKIUPDXFIUAVFH-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037086 /nfs/dbraw/zinc/03/70/86/691037086.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037088 /nfs/dbraw/zinc/03/70/88/691037088.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163416 691037091 /nfs/dbraw/zinc/03/70/91/691037091.db2.gz CPMQTBTVJZDCAG-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039382929 691093386 /nfs/dbraw/zinc/09/33/86/691093386.db2.gz ZGTHFNCCEPPGGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382929 691093387 /nfs/dbraw/zinc/09/33/87/691093387.db2.gz ZGTHFNCCEPPGGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382929 691093390 /nfs/dbraw/zinc/09/33/90/691093390.db2.gz ZGTHFNCCEPPGGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447741 691108393 /nfs/dbraw/zinc/10/83/93/691108393.db2.gz IDGMUVAFBAVKPL-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040368514 691236632 /nfs/dbraw/zinc/23/66/32/691236632.db2.gz HTLWPSJKKFNADV-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747066 691284657 /nfs/dbraw/zinc/28/46/57/691284657.db2.gz LDNKXLUFUWZKSN-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276213 691354743 /nfs/dbraw/zinc/35/47/43/691354743.db2.gz ISXOGSOCKGTWPN-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276213 691354746 /nfs/dbraw/zinc/35/47/46/691354746.db2.gz ISXOGSOCKGTWPN-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276213 691354751 /nfs/dbraw/zinc/35/47/51/691354751.db2.gz ISXOGSOCKGTWPN-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440973 691375642 /nfs/dbraw/zinc/37/56/42/691375642.db2.gz SAYIEGIASUTPTG-SFHVURJKSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446490 691376441 /nfs/dbraw/zinc/37/64/41/691376441.db2.gz SYUHVYNAWKSRPN-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767135 691427099 /nfs/dbraw/zinc/42/70/99/691427099.db2.gz FLPRQLNULVEBRF-IBGZPJMESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844584 691444623 /nfs/dbraw/zinc/44/46/23/691444623.db2.gz LRGRTPVDMPUDSZ-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252549 691548594 /nfs/dbraw/zinc/54/85/94/691548594.db2.gz KIURLSVLQQFRJP-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252549 691548595 /nfs/dbraw/zinc/54/85/95/691548595.db2.gz KIURLSVLQQFRJP-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885983840 691977381 /nfs/dbraw/zinc/97/73/81/691977381.db2.gz QZYOHNPIQUOAEW-KRWDZBQOSA-N 2 1 307.482 2.483 20 30 DEEDMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885983841 691977388 /nfs/dbraw/zinc/97/73/88/691977388.db2.gz QZYOHNPIQUOAEW-QGZVFWFLSA-N 2 1 307.482 2.483 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438127 691980622 /nfs/dbraw/zinc/98/06/22/691980622.db2.gz JUTSVDPEKXWIRE-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021557 691985519 /nfs/dbraw/zinc/98/55/19/691985519.db2.gz YUUZCYPBUMFQBD-IRXDYDNUSA-N 2 1 305.466 2.239 20 30 DEEDMP C=CCCC[C@@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000886590421 692121660 /nfs/dbraw/zinc/12/16/60/692121660.db2.gz UYHYHACJPHIVOC-PKOBYXMFSA-N 2 1 318.461 2.447 20 30 DEEDMP C=CCCC[C@@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000886590421 692121662 /nfs/dbraw/zinc/12/16/62/692121662.db2.gz UYHYHACJPHIVOC-PKOBYXMFSA-N 2 1 318.461 2.447 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046315240 692150524 /nfs/dbraw/zinc/15/05/24/692150524.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046315240 692150527 /nfs/dbraw/zinc/15/05/27/692150527.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001046315240 692150531 /nfs/dbraw/zinc/15/05/31/692150531.db2.gz IJIOZXWHHJNBDN-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330497 692154960 /nfs/dbraw/zinc/15/49/60/692154960.db2.gz LGQPRSKGUBFNAZ-LZLYRXPVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330497 692154963 /nfs/dbraw/zinc/15/49/63/692154963.db2.gz LGQPRSKGUBFNAZ-LZLYRXPVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330497 692154967 /nfs/dbraw/zinc/15/49/67/692154967.db2.gz LGQPRSKGUBFNAZ-LZLYRXPVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538210 692641923 /nfs/dbraw/zinc/64/19/23/692641923.db2.gz MGRZLILDSSHZOE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538210 692641925 /nfs/dbraw/zinc/64/19/25/692641925.db2.gz MGRZLILDSSHZOE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538210 692641926 /nfs/dbraw/zinc/64/19/26/692641926.db2.gz MGRZLILDSSHZOE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048589486 692654904 /nfs/dbraw/zinc/65/49/04/692654904.db2.gz JVROGCDYOKIHKF-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589486 692654906 /nfs/dbraw/zinc/65/49/06/692654906.db2.gz JVROGCDYOKIHKF-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589486 692654909 /nfs/dbraw/zinc/65/49/09/692654909.db2.gz JVROGCDYOKIHKF-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170690 692779328 /nfs/dbraw/zinc/77/93/28/692779328.db2.gz BLSGBLNJPSUBLM-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049486541 692897870 /nfs/dbraw/zinc/89/78/70/692897870.db2.gz REGMSCFHYKQKQV-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486541 692897873 /nfs/dbraw/zinc/89/78/73/692897873.db2.gz REGMSCFHYKQKQV-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486541 692897877 /nfs/dbraw/zinc/89/78/77/692897877.db2.gz REGMSCFHYKQKQV-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514814 692907369 /nfs/dbraw/zinc/90/73/69/692907369.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514814 692907372 /nfs/dbraw/zinc/90/73/72/692907372.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514814 692907373 /nfs/dbraw/zinc/90/73/73/692907373.db2.gz JHCVNUGXQWGHHR-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049515032 692908372 /nfs/dbraw/zinc/90/83/72/692908372.db2.gz LCQVNRAUIMOMGP-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515032 692908374 /nfs/dbraw/zinc/90/83/74/692908374.db2.gz LCQVNRAUIMOMGP-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515032 692908376 /nfs/dbraw/zinc/90/83/76/692908376.db2.gz LCQVNRAUIMOMGP-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049642287 692949929 /nfs/dbraw/zinc/94/99/29/692949929.db2.gz UYKWBFRVRSPXIE-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049642287 692949932 /nfs/dbraw/zinc/94/99/32/692949932.db2.gz UYKWBFRVRSPXIE-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049642287 692949935 /nfs/dbraw/zinc/94/99/35/692949935.db2.gz UYKWBFRVRSPXIE-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693870 692966985 /nfs/dbraw/zinc/96/69/85/692966985.db2.gz PLDFEVMMCDXMEE-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049718398 692974404 /nfs/dbraw/zinc/97/44/04/692974404.db2.gz IYWOAWGXQPZTJU-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049718398 692974409 /nfs/dbraw/zinc/97/44/09/692974409.db2.gz IYWOAWGXQPZTJU-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049718398 692974413 /nfs/dbraw/zinc/97/44/13/692974413.db2.gz IYWOAWGXQPZTJU-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)c(F)c1 ZINC000925843870 693352112 /nfs/dbraw/zinc/35/21/12/693352112.db2.gz HEEXHRVMCLYQOT-HNNXBMFYSA-N 2 1 318.440 2.423 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526903 693559004 /nfs/dbraw/zinc/55/90/04/693559004.db2.gz MRGVNUACEDWUHF-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322009 1162324272 /nfs/dbraw/zinc/32/42/72/1162324272.db2.gz WBDXMZVPWOKSQM-LSDHHAIUSA-N 2 1 313.873 2.096 20 30 DEEDMP C[N@@H+](CCCCC1(C#N)CCC1)CCCN1CC[NH+](C)CC1 ZINC001354459626 1151896472 /nfs/dbraw/zinc/89/64/72/1151896472.db2.gz HPVGKDIGKXIQKC-UHFFFAOYSA-N 2 1 306.498 2.420 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001380861768 1152867948 /nfs/dbraw/zinc/86/79/48/1152867948.db2.gz NYWMWIJUTZCZDH-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373292655 1156939429 /nfs/dbraw/zinc/93/94/29/1156939429.db2.gz MIXKATKTSWLQGF-HUUCEWRRSA-N 2 1 315.889 2.105 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001374394214 1157837843 /nfs/dbraw/zinc/83/78/43/1157837843.db2.gz GVUJSKYKIDXYTJ-SWLSCSKDSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001400861701 1161836846 /nfs/dbraw/zinc/83/68/46/1161836846.db2.gz XEWJYVSWXGBTDU-GJZGRUSLSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001401151857 1161883590 /nfs/dbraw/zinc/88/35/90/1161883590.db2.gz IOZZLUBKKLRMMU-CJNGLKHVSA-N 2 1 323.868 2.384 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418119228 1167422873 /nfs/dbraw/zinc/42/28/73/1167422873.db2.gz ISRSNQGZYFYWBN-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418119228 1167422879 /nfs/dbraw/zinc/42/28/79/1167422879.db2.gz ISRSNQGZYFYWBN-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418119228 1167422886 /nfs/dbraw/zinc/42/28/86/1167422886.db2.gz ISRSNQGZYFYWBN-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418119228 1167422893 /nfs/dbraw/zinc/42/28/93/1167422893.db2.gz ISRSNQGZYFYWBN-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001418316407 1167572095 /nfs/dbraw/zinc/57/20/95/1167572095.db2.gz IFTBHYPTBHAKMG-DZGCQCFKSA-N 2 1 309.841 2.136 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001419074043 1168179605 /nfs/dbraw/zinc/17/96/05/1168179605.db2.gz BGAHZFVDSGINKN-UKRRQHHQSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001419518101 1168565822 /nfs/dbraw/zinc/56/58/22/1168565822.db2.gz XKOUSHLDBYISEY-LBPRGKRZSA-N 2 1 303.878 2.059 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001420122586 1169176697 /nfs/dbraw/zinc/17/66/97/1169176697.db2.gz IRRKTJAIZFZFDX-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001423017132 1173018256 /nfs/dbraw/zinc/01/82/56/1173018256.db2.gz WOJPSFOYJRZNRO-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001437333670 1179732043 /nfs/dbraw/zinc/73/20/43/1179732043.db2.gz QBVIWGJXBUFXQQ-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001438715147 1180784731 /nfs/dbraw/zinc/78/47/31/1180784731.db2.gz PLAGGQIWVHNSCW-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001440859553 1181733250 /nfs/dbraw/zinc/73/32/50/1181733250.db2.gz XYHBGDLYDJUGTK-UHFFFAOYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001441412801 1181982686 /nfs/dbraw/zinc/98/26/86/1181982686.db2.gz CHZDEENHMGDYSK-UKRRQHHQSA-N 2 1 315.889 2.201 20 30 DEEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001333395773 1150044722 /nfs/dbraw/zinc/04/47/22/1150044722.db2.gz WWWIHSYEJGSBSL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001333395773 1150044726 /nfs/dbraw/zinc/04/47/26/1150044726.db2.gz WWWIHSYEJGSBSL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001333395773 1150044730 /nfs/dbraw/zinc/04/47/30/1150044730.db2.gz WWWIHSYEJGSBSL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050384 790419200 /nfs/dbraw/zinc/41/92/00/790419200.db2.gz XMQHXMLKSKISHI-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050384 790419202 /nfs/dbraw/zinc/41/92/02/790419202.db2.gz XMQHXMLKSKISHI-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050384 790419204 /nfs/dbraw/zinc/41/92/04/790419204.db2.gz XMQHXMLKSKISHI-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C#CCCC[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001209266837 776684706 /nfs/dbraw/zinc/68/47/06/776684706.db2.gz DPVOISLZNBAARD-UHFFFAOYSA-N 2 1 300.450 2.264 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167438529 777046691 /nfs/dbraw/zinc/04/66/91/777046691.db2.gz XEXYIITYRVODLX-JKSUJKDBSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874326 778725082 /nfs/dbraw/zinc/72/50/82/778725082.db2.gz GZJGTJUALGUWHJ-UHFFFAOYSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983493060 779105804 /nfs/dbraw/zinc/10/58/04/779105804.db2.gz XBZFPGHXVPPHQK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396707 779376992 /nfs/dbraw/zinc/37/69/92/779376992.db2.gz SUYMRKNJIFMJHL-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636519 779389066 /nfs/dbraw/zinc/38/90/66/779389066.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636519 779389071 /nfs/dbraw/zinc/38/90/71/779389071.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636519 779389075 /nfs/dbraw/zinc/38/90/75/779389075.db2.gz VMNUOLMMXDKLPW-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671711 779405829 /nfs/dbraw/zinc/40/58/29/779405829.db2.gz MCEWYEZNTHJEFH-GVDBMIGSSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696754 779413041 /nfs/dbraw/zinc/41/30/41/779413041.db2.gz LHHURRZRCDLVKU-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696754 779413043 /nfs/dbraw/zinc/41/30/43/779413043.db2.gz LHHURRZRCDLVKU-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696754 779413044 /nfs/dbraw/zinc/41/30/44/779413044.db2.gz LHHURRZRCDLVKU-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749825 779436420 /nfs/dbraw/zinc/43/64/20/779436420.db2.gz BOVIZHIPTWXRQM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655879 780693239 /nfs/dbraw/zinc/69/32/39/780693239.db2.gz WOMOQUIRNXSCRX-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089647848 783319687 /nfs/dbraw/zinc/31/96/87/783319687.db2.gz BRZSJARPKUOLEP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647848 783319694 /nfs/dbraw/zinc/31/96/94/783319694.db2.gz BRZSJARPKUOLEP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647848 783319701 /nfs/dbraw/zinc/31/97/01/783319701.db2.gz BRZSJARPKUOLEP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647848 783319707 /nfs/dbraw/zinc/31/97/07/783319707.db2.gz BRZSJARPKUOLEP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473381 783478088 /nfs/dbraw/zinc/47/80/88/783478088.db2.gz FIWSQPPEQPRPLO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001085350756 783648776 /nfs/dbraw/zinc/64/87/76/783648776.db2.gz WROMWSIQOLIQJO-HUUCEWRRSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778821 784067856 /nfs/dbraw/zinc/06/78/56/784067856.db2.gz IEXYDOOGEDZXGL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778821 784067859 /nfs/dbraw/zinc/06/78/59/784067859.db2.gz IEXYDOOGEDZXGL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778821 784067861 /nfs/dbraw/zinc/06/78/61/784067861.db2.gz IEXYDOOGEDZXGL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876156 784167147 /nfs/dbraw/zinc/16/71/47/784167147.db2.gz SQNOWHPAWLVHRO-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378115 784339204 /nfs/dbraw/zinc/33/92/04/784339204.db2.gz NTOWEZJNUAOCIV-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882750 784635665 /nfs/dbraw/zinc/63/56/65/784635665.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882750 784635668 /nfs/dbraw/zinc/63/56/68/784635668.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882750 784635674 /nfs/dbraw/zinc/63/56/74/784635674.db2.gz TYSOAXHPPYNLHO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000968915517 784648641 /nfs/dbraw/zinc/64/86/41/784648641.db2.gz LVWLIZUAMONQPK-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334948 784891543 /nfs/dbraw/zinc/89/15/43/784891543.db2.gz YDYSNHPBWMOHHJ-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007494835 784936016 /nfs/dbraw/zinc/93/60/16/784936016.db2.gz GBTAJMDWDSHRBW-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007494835 784936019 /nfs/dbraw/zinc/93/60/19/784936019.db2.gz GBTAJMDWDSHRBW-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767704 785298613 /nfs/dbraw/zinc/29/86/13/785298613.db2.gz KIKMSRRQUIXJCP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008767704 785298606 /nfs/dbraw/zinc/29/86/06/785298606.db2.gz KIKMSRRQUIXJCP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767704 785298618 /nfs/dbraw/zinc/29/86/18/785298618.db2.gz KIKMSRRQUIXJCP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346321 786539115 /nfs/dbraw/zinc/53/91/15/786539115.db2.gz VKZGYCNMGBXMSC-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113346321 786539120 /nfs/dbraw/zinc/53/91/20/786539120.db2.gz VKZGYCNMGBXMSC-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597477 787129795 /nfs/dbraw/zinc/12/97/95/787129795.db2.gz SDOWFUUFVOXOTR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597477 787129800 /nfs/dbraw/zinc/12/98/00/787129800.db2.gz SDOWFUUFVOXOTR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597477 787129804 /nfs/dbraw/zinc/12/98/04/787129804.db2.gz SDOWFUUFVOXOTR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101221 787135238 /nfs/dbraw/zinc/13/52/38/787135238.db2.gz FNOVQQOCNZTZGM-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101221 787135249 /nfs/dbraw/zinc/13/52/49/787135249.db2.gz FNOVQQOCNZTZGM-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101221 787135251 /nfs/dbraw/zinc/13/52/51/787135251.db2.gz FNOVQQOCNZTZGM-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170505216 787436653 /nfs/dbraw/zinc/43/66/53/787436653.db2.gz QXGQBAGUTXAVAX-GOSISDBHSA-N 2 1 302.466 2.312 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141216 787947036 /nfs/dbraw/zinc/94/70/36/787947036.db2.gz PRDBQICFLSYNDC-HZPDHXFCSA-N 2 1 316.449 2.063 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097073874 787966661 /nfs/dbraw/zinc/96/66/61/787966661.db2.gz ZMXVLTOQNBMCGL-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097073874 787966668 /nfs/dbraw/zinc/96/66/68/787966668.db2.gz ZMXVLTOQNBMCGL-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)CC[C@@H]1C ZINC001132354738 788034593 /nfs/dbraw/zinc/03/45/93/788034593.db2.gz OYLSLXRKADYAFH-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354738 788034606 /nfs/dbraw/zinc/03/46/06/788034606.db2.gz OYLSLXRKADYAFH-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493995 788104773 /nfs/dbraw/zinc/10/47/73/788104773.db2.gz OYCUOGZDJDAMAD-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001097847673 788248543 /nfs/dbraw/zinc/24/85/43/788248543.db2.gz GOIHRPKPAVQGBS-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001097847673 788248546 /nfs/dbraw/zinc/24/85/46/788248546.db2.gz GOIHRPKPAVQGBS-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001097847673 788248550 /nfs/dbraw/zinc/24/85/50/788248550.db2.gz GOIHRPKPAVQGBS-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121962 788287829 /nfs/dbraw/zinc/28/78/29/788287829.db2.gz MUTDIHIDDNYOBF-IRXDYDNUSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123050 788288722 /nfs/dbraw/zinc/28/87/22/788288722.db2.gz XYZUPKQGHLBJRA-JKSUJKDBSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307493 789279175 /nfs/dbraw/zinc/27/91/75/789279175.db2.gz ZTMNOXOTZMVTKF-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584135 789403433 /nfs/dbraw/zinc/40/34/33/789403433.db2.gz KLIBJVIQOQGZJN-LSDHHAIUSA-N 2 1 306.454 2.456 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690898 789451117 /nfs/dbraw/zinc/45/11/17/789451117.db2.gz LOWTZKXIAOFAPI-DLBZAZTESA-N 2 1 309.498 2.395 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877300 789594491 /nfs/dbraw/zinc/59/44/91/789594491.db2.gz ADMOABWAUOUGJF-JKSUJKDBSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147211953 791476846 /nfs/dbraw/zinc/47/68/46/791476846.db2.gz KFKXQDYDOCXZKS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147211953 791476855 /nfs/dbraw/zinc/47/68/55/791476855.db2.gz KFKXQDYDOCXZKS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147211953 791476859 /nfs/dbraw/zinc/47/68/59/791476859.db2.gz KFKXQDYDOCXZKS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001098292104 791602391 /nfs/dbraw/zinc/60/23/91/791602391.db2.gz UCZCPLNRUDHGEZ-VXNCWWDNSA-N 2 1 317.477 2.160 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001098292104 791602399 /nfs/dbraw/zinc/60/23/99/791602399.db2.gz UCZCPLNRUDHGEZ-VXNCWWDNSA-N 2 1 317.477 2.160 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001098292104 791602406 /nfs/dbraw/zinc/60/24/06/791602406.db2.gz UCZCPLNRUDHGEZ-VXNCWWDNSA-N 2 1 317.477 2.160 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636560 791785746 /nfs/dbraw/zinc/78/57/46/791785746.db2.gz YZHOQFDANSCQEV-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148636560 791785750 /nfs/dbraw/zinc/78/57/50/791785750.db2.gz YZHOQFDANSCQEV-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926586 791854020 /nfs/dbraw/zinc/85/40/20/791854020.db2.gz CQCGKXGHKIMNJF-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551889 792239198 /nfs/dbraw/zinc/23/91/98/792239198.db2.gz FRTXRIHMASDQBV-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551889 792239207 /nfs/dbraw/zinc/23/92/07/792239207.db2.gz FRTXRIHMASDQBV-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551889 792239212 /nfs/dbraw/zinc/23/92/12/792239212.db2.gz FRTXRIHMASDQBV-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319488 792589486 /nfs/dbraw/zinc/58/94/86/792589486.db2.gz OGGSMCQLEWDPEX-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158295 792960268 /nfs/dbraw/zinc/96/02/68/792960268.db2.gz KKNZUGYUZJGODM-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344787 793130706 /nfs/dbraw/zinc/13/07/06/793130706.db2.gz CYOURZBIZFYQOY-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430008 793156402 /nfs/dbraw/zinc/15/64/02/793156402.db2.gz KILTYYNTIJCHJA-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430008 793156409 /nfs/dbraw/zinc/15/64/09/793156409.db2.gz KILTYYNTIJCHJA-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430008 793156412 /nfs/dbraw/zinc/15/64/12/793156412.db2.gz KILTYYNTIJCHJA-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292598 793561861 /nfs/dbraw/zinc/56/18/61/793561861.db2.gz UYRRSVRRCGABFC-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357732 793584449 /nfs/dbraw/zinc/58/44/49/793584449.db2.gz HOLTUJYEQIXZKO-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579607 793663226 /nfs/dbraw/zinc/66/32/26/793663226.db2.gz GTQRQINNZREZBF-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596788 793667097 /nfs/dbraw/zinc/66/70/97/793667097.db2.gz YARCUBUQACRUCT-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP CC[N@H+]1CC[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173356620 793695788 /nfs/dbraw/zinc/69/57/88/793695788.db2.gz GIERQHIRHOBEGL-GOSISDBHSA-N 2 1 312.461 2.229 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060282 793919501 /nfs/dbraw/zinc/91/95/01/793919501.db2.gz DWLBHDFUNDVDQG-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060282 793919507 /nfs/dbraw/zinc/91/95/07/793919507.db2.gz DWLBHDFUNDVDQG-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060282 793919514 /nfs/dbraw/zinc/91/95/14/793919514.db2.gz DWLBHDFUNDVDQG-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103700 793941497 /nfs/dbraw/zinc/94/14/97/793941497.db2.gz VDKGZFVTRHIEBI-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103700 793941503 /nfs/dbraw/zinc/94/15/03/793941503.db2.gz VDKGZFVTRHIEBI-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103700 793941512 /nfs/dbraw/zinc/94/15/12/793941512.db2.gz VDKGZFVTRHIEBI-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497750 794117972 /nfs/dbraw/zinc/11/79/72/794117972.db2.gz XBYBHRYUCOTNTL-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175263462 794171978 /nfs/dbraw/zinc/17/19/78/794171978.db2.gz PXIXXBQQTHCJRI-DZGCQCFKSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753318 794468686 /nfs/dbraw/zinc/46/86/86/794468686.db2.gz UIYKPTYMECXKAK-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753318 794468692 /nfs/dbraw/zinc/46/86/92/794468692.db2.gz UIYKPTYMECXKAK-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753318 794468694 /nfs/dbraw/zinc/46/86/94/794468694.db2.gz UIYKPTYMECXKAK-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176758379 794497153 /nfs/dbraw/zinc/49/71/53/794497153.db2.gz AFBKELHQXVHICV-WMZOPIPTSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870929 794508481 /nfs/dbraw/zinc/50/84/81/794508481.db2.gz SVXKWFWAADKUID-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870929 794508487 /nfs/dbraw/zinc/50/84/87/794508487.db2.gz SVXKWFWAADKUID-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870929 794508494 /nfs/dbraw/zinc/50/84/94/794508494.db2.gz SVXKWFWAADKUID-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450464 794777733 /nfs/dbraw/zinc/77/77/33/794777733.db2.gz BDSLREPAZPNAHO-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730907 794898971 /nfs/dbraw/zinc/89/89/71/794898971.db2.gz ULGNRRGXNRKSJF-CVEARBPZSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179353133 795097549 /nfs/dbraw/zinc/09/75/49/795097549.db2.gz ASGPUCNLSGQWSL-KRWDZBQOSA-N 2 1 307.482 2.008 20 30 DEEDMP C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118401712 795184921 /nfs/dbraw/zinc/18/49/21/795184921.db2.gz XQWWVDUMCYQSMG-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118401712 795184926 /nfs/dbraw/zinc/18/49/26/795184926.db2.gz XQWWVDUMCYQSMG-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nn1 ZINC001120072555 795402304 /nfs/dbraw/zinc/40/23/04/795402304.db2.gz WVDIGANULVNDBQ-ZOBUZTSGSA-N 2 1 303.454 2.016 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120208057 795422208 /nfs/dbraw/zinc/42/22/08/795422208.db2.gz SOBWFBVXJOKNIS-UHFFFAOYSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429831 795458684 /nfs/dbraw/zinc/45/86/84/795458684.db2.gz BUGFYZPNHHLRII-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120458661 795464543 /nfs/dbraw/zinc/46/45/43/795464543.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458661 795464547 /nfs/dbraw/zinc/46/45/47/795464547.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458661 795464549 /nfs/dbraw/zinc/46/45/49/795464549.db2.gz IEDCFQHHCLUECR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182693625 795734025 /nfs/dbraw/zinc/73/40/25/795734025.db2.gz ZZFBCASNQWQDJX-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714336 796109494 /nfs/dbraw/zinc/10/94/94/796109494.db2.gz XMDBFRQUBRIJOI-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185215271 796215517 /nfs/dbraw/zinc/21/55/17/796215517.db2.gz KKKOETPJHPTWMK-CVEARBPZSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185680955 796308653 /nfs/dbraw/zinc/30/86/53/796308653.db2.gz HRBBOMZAOATJRB-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185680952 796308675 /nfs/dbraw/zinc/30/86/75/796308675.db2.gz HRBBOMZAOATJRB-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169285 796530871 /nfs/dbraw/zinc/53/08/71/796530871.db2.gz RMLVOJZLNNLRMP-JKSUJKDBSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111194 796765090 /nfs/dbraw/zinc/76/50/90/796765090.db2.gz XCLARRJZCNTADD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655134 797049126 /nfs/dbraw/zinc/04/91/26/797049126.db2.gz NSIFHERZXWDKNJ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655134 797049135 /nfs/dbraw/zinc/04/91/35/797049135.db2.gz NSIFHERZXWDKNJ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCC)C1 ZINC001190724867 797063953 /nfs/dbraw/zinc/06/39/53/797063953.db2.gz MOENGKZAWFSZIA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001190724867 797063961 /nfs/dbraw/zinc/06/39/61/797063961.db2.gz MOENGKZAWFSZIA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCC)C1 ZINC001190724867 797063969 /nfs/dbraw/zinc/06/39/69/797063969.db2.gz MOENGKZAWFSZIA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCC)C1 ZINC001190724867 797063975 /nfs/dbraw/zinc/06/39/75/797063975.db2.gz MOENGKZAWFSZIA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316837 797360736 /nfs/dbraw/zinc/36/07/36/797360736.db2.gz QEAVAJWVUZGIKR-LSDHHAIUSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316837 797360744 /nfs/dbraw/zinc/36/07/44/797360744.db2.gz QEAVAJWVUZGIKR-LSDHHAIUSA-N 2 1 315.889 2.392 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846271 797461305 /nfs/dbraw/zinc/46/13/05/797461305.db2.gz LCRVWPJNDYNRBI-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066818 797673957 /nfs/dbraw/zinc/67/39/57/797673957.db2.gz NVCVRYVERVRQEV-ZIAGYGMSSA-N 2 1 303.878 2.152 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156305706 797971455 /nfs/dbraw/zinc/97/14/55/797971455.db2.gz FORCRVRFMFIZHC-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305706 797971458 /nfs/dbraw/zinc/97/14/58/797971458.db2.gz FORCRVRFMFIZHC-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305706 797971462 /nfs/dbraw/zinc/97/14/62/797971462.db2.gz FORCRVRFMFIZHC-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865608 797977685 /nfs/dbraw/zinc/97/76/85/797977685.db2.gz MVIMOYAUEYDRHT-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865608 797977690 /nfs/dbraw/zinc/97/76/90/797977690.db2.gz MVIMOYAUEYDRHT-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865608 797977694 /nfs/dbraw/zinc/97/76/94/797977694.db2.gz MVIMOYAUEYDRHT-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196059982 797997439 /nfs/dbraw/zinc/99/74/39/797997439.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196059982 797997444 /nfs/dbraw/zinc/99/74/44/797997444.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196059982 797997448 /nfs/dbraw/zinc/99/74/48/797997448.db2.gz BVWGQOJYLOPXPN-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163015 798014632 /nfs/dbraw/zinc/01/46/32/798014632.db2.gz FBVLDSLWBIMQGN-NVXWUHKLSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001197477280 798193428 /nfs/dbraw/zinc/19/34/28/798193428.db2.gz GBJOPVRDEOHZOV-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477280 798193430 /nfs/dbraw/zinc/19/34/30/798193430.db2.gz GBJOPVRDEOHZOV-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477280 798193432 /nfs/dbraw/zinc/19/34/32/798193432.db2.gz GBJOPVRDEOHZOV-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477280 798193433 /nfs/dbraw/zinc/19/34/33/798193433.db2.gz GBJOPVRDEOHZOV-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098183 798279385 /nfs/dbraw/zinc/27/93/85/798279385.db2.gz QISRZOSKRVTGPE-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198098183 798279389 /nfs/dbraw/zinc/27/93/89/798279389.db2.gz QISRZOSKRVTGPE-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198098183 798279393 /nfs/dbraw/zinc/27/93/93/798279393.db2.gz QISRZOSKRVTGPE-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001158061901 798334926 /nfs/dbraw/zinc/33/49/26/798334926.db2.gz UWCMYCRIZTVPPP-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158061901 798334933 /nfs/dbraw/zinc/33/49/33/798334933.db2.gz UWCMYCRIZTVPPP-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158061901 798334939 /nfs/dbraw/zinc/33/49/39/798334939.db2.gz UWCMYCRIZTVPPP-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555659 798427780 /nfs/dbraw/zinc/42/77/80/798427780.db2.gz WLFGHQHWPAJLCQ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115153778 798448764 /nfs/dbraw/zinc/44/87/64/798448764.db2.gz ARLJSVWJFYFHPQ-CBZIJGRNSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153778 798448765 /nfs/dbraw/zinc/44/87/65/798448765.db2.gz ARLJSVWJFYFHPQ-CBZIJGRNSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153778 798448766 /nfs/dbraw/zinc/44/87/66/798448766.db2.gz ARLJSVWJFYFHPQ-CBZIJGRNSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158857269 798479629 /nfs/dbraw/zinc/47/96/29/798479629.db2.gz YSDCFRXEMNWJJL-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158857269 798479633 /nfs/dbraw/zinc/47/96/33/798479633.db2.gz YSDCFRXEMNWJJL-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367223 798679914 /nfs/dbraw/zinc/67/99/14/798679914.db2.gz FQEISXLOJKONQA-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390959 798844650 /nfs/dbraw/zinc/84/46/50/798844650.db2.gz MBNMMQSQRUYHAO-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001161438795 798859522 /nfs/dbraw/zinc/85/95/22/798859522.db2.gz DUEIZQKNRIBECH-OAHLLOKOSA-N 2 1 316.449 2.303 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001161438795 798859531 /nfs/dbraw/zinc/85/95/31/798859531.db2.gz DUEIZQKNRIBECH-OAHLLOKOSA-N 2 1 316.449 2.303 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924450 798968877 /nfs/dbraw/zinc/96/88/77/798968877.db2.gz CYPUAZLYNFOKDI-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924450 798968880 /nfs/dbraw/zinc/96/88/80/798968880.db2.gz CYPUAZLYNFOKDI-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924450 798968881 /nfs/dbraw/zinc/96/88/81/798968881.db2.gz CYPUAZLYNFOKDI-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952014 798977510 /nfs/dbraw/zinc/97/75/10/798977510.db2.gz AKOQQFJXNPZUFP-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001202495563 798980318 /nfs/dbraw/zinc/98/03/18/798980318.db2.gz GKBLLKQDDOHUFY-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114467498 799129718 /nfs/dbraw/zinc/12/97/18/799129718.db2.gz ZKZAOCULEVBCBS-XWTMOSNGSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001114467498 799129724 /nfs/dbraw/zinc/12/97/24/799129724.db2.gz ZKZAOCULEVBCBS-XWTMOSNGSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114467498 799129729 /nfs/dbraw/zinc/12/97/29/799129729.db2.gz ZKZAOCULEVBCBS-XWTMOSNGSA-N 2 1 321.509 2.488 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000103337608 799470514 /nfs/dbraw/zinc/47/05/14/799470514.db2.gz JORPHJGBKYOGRI-MRXNPFEDSA-N 2 1 314.433 2.118 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531178 799617605 /nfs/dbraw/zinc/61/76/05/799617605.db2.gz AQRBSZKSNQBYDQ-DLBZAZTESA-N 2 1 319.493 2.313 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095499100 799633441 /nfs/dbraw/zinc/63/34/41/799633441.db2.gz QFALRLUKMRUSPN-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095499100 799633447 /nfs/dbraw/zinc/63/34/47/799633447.db2.gz QFALRLUKMRUSPN-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166389759 799865787 /nfs/dbraw/zinc/86/57/87/799865787.db2.gz GZMHLYFSUBYLPS-UHFFFAOYSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203578225 800083690 /nfs/dbraw/zinc/08/36/90/800083690.db2.gz VSBGYCBLABGBDI-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461024 800360197 /nfs/dbraw/zinc/36/01/97/800360197.db2.gz DFKCOLDTLPFJLB-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928937 800631722 /nfs/dbraw/zinc/63/17/22/800631722.db2.gz NZIMHCUWXRHXDW-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207001206 800651930 /nfs/dbraw/zinc/65/19/30/800651930.db2.gz SRSIDVSAXTXTKG-RBSFLKMASA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207001206 800651932 /nfs/dbraw/zinc/65/19/32/800651932.db2.gz SRSIDVSAXTXTKG-RBSFLKMASA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330943 800956547 /nfs/dbraw/zinc/95/65/47/800956547.db2.gz IBCACMNOLGCKGX-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209162348 801140149 /nfs/dbraw/zinc/14/01/49/801140149.db2.gz VXRKYVXUCMXHEW-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001229185605 801238829 /nfs/dbraw/zinc/23/88/29/801238829.db2.gz OYOBQFMSNUPJPK-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230101309 801361308 /nfs/dbraw/zinc/36/13/08/801361308.db2.gz HKIANFSTMWDZOQ-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001230101309 801361315 /nfs/dbraw/zinc/36/13/15/801361315.db2.gz HKIANFSTMWDZOQ-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618397 801438935 /nfs/dbraw/zinc/43/89/35/801438935.db2.gz MLCJUMIKUCORAY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618397 801438940 /nfs/dbraw/zinc/43/89/40/801438940.db2.gz MLCJUMIKUCORAY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618397 801438945 /nfs/dbraw/zinc/43/89/45/801438945.db2.gz MLCJUMIKUCORAY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C)C(C)C ZINC001211221109 801532238 /nfs/dbraw/zinc/53/22/38/801532238.db2.gz BALBIXJCEABDHW-YESZJQIVSA-N 2 1 322.497 2.077 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211270250 801540177 /nfs/dbraw/zinc/54/01/77/801540177.db2.gz YXSQCDAOZYNFBT-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367094 801554499 /nfs/dbraw/zinc/55/44/99/801554499.db2.gz NVHKHLWWRNICIG-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367094 801554503 /nfs/dbraw/zinc/55/45/03/801554503.db2.gz NVHKHLWWRNICIG-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367094 801554510 /nfs/dbraw/zinc/55/45/10/801554510.db2.gz NVHKHLWWRNICIG-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001231818558 801734155 /nfs/dbraw/zinc/73/41/55/801734155.db2.gz VSPHGIJIRXJZEP-MSOLQXFVSA-N 2 1 312.461 2.420 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001231818558 801734161 /nfs/dbraw/zinc/73/41/61/801734161.db2.gz VSPHGIJIRXJZEP-MSOLQXFVSA-N 2 1 312.461 2.420 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001231818558 801734166 /nfs/dbraw/zinc/73/41/66/801734166.db2.gz VSPHGIJIRXJZEP-MSOLQXFVSA-N 2 1 312.461 2.420 20 30 DEEDMP C=CC[C@H]1[NH2+]CCC[C@H]1OCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001217933105 802121414 /nfs/dbraw/zinc/12/14/14/802121414.db2.gz HPBJHVGIMZIDAH-RRFJBIMHSA-N 2 1 312.454 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001221889987 802624971 /nfs/dbraw/zinc/62/49/71/802624971.db2.gz XROUKILCPUEQOT-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]21 ZINC001223690587 802808940 /nfs/dbraw/zinc/80/89/40/802808940.db2.gz ICDZBUZQWPMPKW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223690587 802808942 /nfs/dbraw/zinc/80/89/42/802808942.db2.gz ICDZBUZQWPMPKW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)C[C@@H]21 ZINC001223690587 802808949 /nfs/dbraw/zinc/80/89/49/802808949.db2.gz ICDZBUZQWPMPKW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955161 802825992 /nfs/dbraw/zinc/82/59/92/802825992.db2.gz ITDVUOZGISMMSJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227733637 803273119 /nfs/dbraw/zinc/27/31/19/803273119.db2.gz AAAFQFGJQNFAMH-QZTJIDSGSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001330900417 1149328432 /nfs/dbraw/zinc/32/84/32/1149328432.db2.gz OJBDRMBDLRJRQE-DLBZAZTESA-N 2 1 307.482 2.006 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001500131183 1058514970 /nfs/dbraw/zinc/51/49/70/1058514970.db2.gz KRIKJVWFANYRKA-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500501534 1058859694 /nfs/dbraw/zinc/85/96/94/1058859694.db2.gz BFFSWPFYKLFOOL-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500501534 1058859720 /nfs/dbraw/zinc/85/97/20/1058859720.db2.gz BFFSWPFYKLFOOL-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500501534 1058859746 /nfs/dbraw/zinc/85/97/46/1058859746.db2.gz BFFSWPFYKLFOOL-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001502807890 1060313685 /nfs/dbraw/zinc/31/36/85/1060313685.db2.gz TXTLVFDHHLPFNW-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001502831798 1060337774 /nfs/dbraw/zinc/33/77/74/1060337774.db2.gz FFQSIJVLQSKGDR-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968407 1060407201 /nfs/dbraw/zinc/40/72/01/1060407201.db2.gz MAOMQEUBBAVXQO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001503023405 1060425723 /nfs/dbraw/zinc/42/57/23/1060425723.db2.gz LSTUVCMWANUGFA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001566069507 1060471015 /nfs/dbraw/zinc/47/10/15/1060471015.db2.gz ZETLRNIFLKATJW-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001479565102 1061505627 /nfs/dbraw/zinc/50/56/27/1061505627.db2.gz QXHVBPWMDRBDTQ-QKPAOTATSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001479868530 1061955087 /nfs/dbraw/zinc/95/50/87/1061955087.db2.gz HYJSJEDZGSXVQL-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CCC)CC1 ZINC001479895750 1061955209 /nfs/dbraw/zinc/95/52/09/1061955209.db2.gz QHBBBGWTPDNQSV-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001479895750 1061955229 /nfs/dbraw/zinc/95/52/29/1061955229.db2.gz QHBBBGWTPDNQSV-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001479914893 1062046448 /nfs/dbraw/zinc/04/64/48/1062046448.db2.gz XTUYUZNCLHKMAI-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001479914893 1062046471 /nfs/dbraw/zinc/04/64/71/1062046471.db2.gz XTUYUZNCLHKMAI-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479914893 1062046494 /nfs/dbraw/zinc/04/64/94/1062046494.db2.gz XTUYUZNCLHKMAI-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506681832 1062274730 /nfs/dbraw/zinc/27/47/30/1062274730.db2.gz JXXYSAZDWVWUME-INIZCTEOSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506681832 1062274750 /nfs/dbraw/zinc/27/47/50/1062274750.db2.gz JXXYSAZDWVWUME-INIZCTEOSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480088268 1062305944 /nfs/dbraw/zinc/30/59/44/1062305944.db2.gz WPFICPDWBLWQLH-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190213 1062442109 /nfs/dbraw/zinc/44/21/09/1062442109.db2.gz YIAKRDJHJSTTOD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190213 1062442120 /nfs/dbraw/zinc/44/21/20/1062442120.db2.gz YIAKRDJHJSTTOD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190213 1062442130 /nfs/dbraw/zinc/44/21/30/1062442130.db2.gz YIAKRDJHJSTTOD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001506960431 1062601209 /nfs/dbraw/zinc/60/12/09/1062601209.db2.gz NZZNCCNSVGQABA-UHFFFAOYSA-N 2 1 324.428 2.202 20 30 DEEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001507027624 1062692769 /nfs/dbraw/zinc/69/27/69/1062692769.db2.gz RKLOFCOTRZSCPZ-QZTJIDSGSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001507084539 1062806207 /nfs/dbraw/zinc/80/62/07/1062806207.db2.gz HFQWLJADPOVRPI-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507349597 1063139303 /nfs/dbraw/zinc/13/93/03/1063139303.db2.gz WAGRKLBZFUVKFR-QAPCUYQASA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480823481 1063401003 /nfs/dbraw/zinc/40/10/03/1063401003.db2.gz JRKZTKQLDNGJGX-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480823481 1063401013 /nfs/dbraw/zinc/40/10/13/1063401013.db2.gz JRKZTKQLDNGJGX-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480823481 1063401024 /nfs/dbraw/zinc/40/10/24/1063401024.db2.gz JRKZTKQLDNGJGX-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001508163889 1063587194 /nfs/dbraw/zinc/58/71/94/1063587194.db2.gz YQGABICGLYKEJN-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493966751 1064047495 /nfs/dbraw/zinc/04/74/95/1064047495.db2.gz GHAZSZAXHWZVOE-MSOLQXFVSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001494044226 1064100365 /nfs/dbraw/zinc/10/03/65/1064100365.db2.gz WTIALGQSGNLQKZ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494044226 1064100369 /nfs/dbraw/zinc/10/03/69/1064100369.db2.gz WTIALGQSGNLQKZ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494044226 1064100372 /nfs/dbraw/zinc/10/03/72/1064100372.db2.gz WTIALGQSGNLQKZ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494159712 1064148112 /nfs/dbraw/zinc/14/81/12/1064148112.db2.gz MICQMKMZLHJHHX-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494159712 1064148120 /nfs/dbraw/zinc/14/81/20/1064148120.db2.gz MICQMKMZLHJHHX-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494159712 1064148125 /nfs/dbraw/zinc/14/81/25/1064148125.db2.gz MICQMKMZLHJHHX-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567405978 1064184649 /nfs/dbraw/zinc/18/46/49/1064184649.db2.gz LXTAGSXFVGXGQD-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567405978 1064184652 /nfs/dbraw/zinc/18/46/52/1064184652.db2.gz LXTAGSXFVGXGQD-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567405978 1064184656 /nfs/dbraw/zinc/18/46/56/1064184656.db2.gz LXTAGSXFVGXGQD-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729678 1064382325 /nfs/dbraw/zinc/38/23/25/1064382325.db2.gz LRAWMDFXYAVBEH-JKSUJKDBSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729678 1064382330 /nfs/dbraw/zinc/38/23/30/1064382330.db2.gz LRAWMDFXYAVBEH-JKSUJKDBSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729678 1064382337 /nfs/dbraw/zinc/38/23/37/1064382337.db2.gz LRAWMDFXYAVBEH-JKSUJKDBSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567740848 1064393202 /nfs/dbraw/zinc/39/32/02/1064393202.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740848 1064393218 /nfs/dbraw/zinc/39/32/18/1064393218.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740848 1064393232 /nfs/dbraw/zinc/39/32/32/1064393232.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567740848 1064393242 /nfs/dbraw/zinc/39/32/42/1064393242.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567740848 1064393248 /nfs/dbraw/zinc/39/32/48/1064393248.db2.gz FXYIMYKCVHZLPH-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)Cc2cncn2C)CC1 ZINC001567752593 1064404332 /nfs/dbraw/zinc/40/43/32/1064404332.db2.gz ZMCAJRCRAVOICP-UHFFFAOYSA-N 2 1 318.465 2.099 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001494722364 1064433003 /nfs/dbraw/zinc/43/30/03/1064433003.db2.gz GOZXNTQIJNXVFG-KRWDZBQOSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001568320234 1064776723 /nfs/dbraw/zinc/77/67/23/1064776723.db2.gz CUTFROOBLIWQLJ-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632716 1065008766 /nfs/dbraw/zinc/00/87/66/1065008766.db2.gz PDNAPUKTWPLMII-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001569175395 1065340995 /nfs/dbraw/zinc/34/09/95/1065340995.db2.gz QNJCPYRNLZPFBK-IRXDYDNUSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001496313143 1065402405 /nfs/dbraw/zinc/40/24/05/1065402405.db2.gz VYQCCRPSZXZEPU-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C1CCCCC1 ZINC001496327525 1065409076 /nfs/dbraw/zinc/40/90/76/1065409076.db2.gz UQPRXFQWCSQZJC-QGZVFWFLSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569376283 1065472716 /nfs/dbraw/zinc/47/27/16/1065472716.db2.gz IJXVDFXEVKDKBY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC001625732623 1078250544 /nfs/dbraw/zinc/25/05/44/1078250544.db2.gz JSSNXMCNKYEQDS-UHFFFAOYSA-N 2 1 303.450 2.261 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001497828144 1066348967 /nfs/dbraw/zinc/34/89/67/1066348967.db2.gz UEOFSIAGZWWYGR-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266984130 1078480936 /nfs/dbraw/zinc/48/09/36/1078480936.db2.gz VPDSRYHKSDISLF-WBVHZDCISA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001570570789 1068012364 /nfs/dbraw/zinc/01/23/64/1068012364.db2.gz OBJYUJFVEDOMBD-AQFXKWCLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267175905 1078640816 /nfs/dbraw/zinc/64/08/16/1078640816.db2.gz VQLIEJSOCGHQQF-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267175905 1078640820 /nfs/dbraw/zinc/64/08/20/1078640820.db2.gz VQLIEJSOCGHQQF-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267175905 1078640824 /nfs/dbraw/zinc/64/08/24/1078640824.db2.gz VQLIEJSOCGHQQF-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001570714570 1068088187 /nfs/dbraw/zinc/08/81/87/1068088187.db2.gz RCTWQFMKPHIUCU-ZDUSSCGKSA-N 2 1 309.479 2.436 20 30 DEEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570813970 1068126149 /nfs/dbraw/zinc/12/61/49/1068126149.db2.gz JTNURODPJMRERF-HOTGVXAUSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570826948 1068131144 /nfs/dbraw/zinc/13/11/44/1068131144.db2.gz HJZHUNGJDKOCPY-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001493296215 1078663362 /nfs/dbraw/zinc/66/33/62/1078663362.db2.gz IKCGAUCEMWVFHI-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001493296215 1078663368 /nfs/dbraw/zinc/66/33/68/1078663368.db2.gz IKCGAUCEMWVFHI-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001493296215 1078663373 /nfs/dbraw/zinc/66/33/73/1078663373.db2.gz IKCGAUCEMWVFHI-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001571336492 1068230682 /nfs/dbraw/zinc/23/06/82/1068230682.db2.gz XIBDZTZHOCOYNT-HNNXBMFYSA-N 2 1 304.438 2.161 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571401531 1068276517 /nfs/dbraw/zinc/27/65/17/1068276517.db2.gz GFBKOXBYXQPVPL-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469969 1068321901 /nfs/dbraw/zinc/32/19/01/1068321901.db2.gz XIOIHQMMEMMARP-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469969 1068321915 /nfs/dbraw/zinc/32/19/15/1068321915.db2.gz XIOIHQMMEMMARP-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001571558692 1068420387 /nfs/dbraw/zinc/42/03/87/1068420387.db2.gz OYOUMSFWTOFLNK-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001574756891 1069256303 /nfs/dbraw/zinc/25/63/03/1069256303.db2.gz HSFDQWCGKNQIGO-UHFFFAOYSA-N 2 1 311.429 2.072 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267496196 1078921720 /nfs/dbraw/zinc/92/17/20/1078921720.db2.gz OOZIJYPORQTOQQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267496196 1078921724 /nfs/dbraw/zinc/92/17/24/1078921724.db2.gz OOZIJYPORQTOQQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267496196 1078921727 /nfs/dbraw/zinc/92/17/27/1078921727.db2.gz OOZIJYPORQTOQQ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(CC(C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001545058174 1072559025 /nfs/dbraw/zinc/55/90/25/1072559025.db2.gz HIAVGCSNFCAEGR-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001548702257 1072816598 /nfs/dbraw/zinc/81/65/98/1072816598.db2.gz GSVKGPIENZDHHC-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001272669660 1079098847 /nfs/dbraw/zinc/09/88/47/1079098847.db2.gz FITAMXLZKUSNMM-QGZVFWFLSA-N 2 1 303.450 2.261 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001483795428 1079125831 /nfs/dbraw/zinc/12/58/31/1079125831.db2.gz UGLGDSHKEOUOHM-MRXNPFEDSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001267604581 1079175981 /nfs/dbraw/zinc/17/59/81/1079175981.db2.gz WVMWIABUWYIQDP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267604581 1079175986 /nfs/dbraw/zinc/17/59/86/1079175986.db2.gz WVMWIABUWYIQDP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267604581 1079175990 /nfs/dbraw/zinc/17/59/90/1079175990.db2.gz WVMWIABUWYIQDP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483933276 1079194902 /nfs/dbraw/zinc/19/49/02/1079194902.db2.gz YOUMMEXCHPUHKR-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001483975896 1079221488 /nfs/dbraw/zinc/22/14/88/1079221488.db2.gz CSJCHMOWUPQNMF-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001483975896 1079221493 /nfs/dbraw/zinc/22/14/93/1079221493.db2.gz CSJCHMOWUPQNMF-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997329 1079230853 /nfs/dbraw/zinc/23/08/53/1079230853.db2.gz WJSRGGWFHMLMRQ-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484172248 1079337432 /nfs/dbraw/zinc/33/74/32/1079337432.db2.gz GUZKHOQOOXGWFF-GOSISDBHSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001565872234 1075061009 /nfs/dbraw/zinc/06/10/09/1075061009.db2.gz JNLSEEUTQJXTER-YYIAUSFCSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1ccnc1C ZINC001565830624 1075192636 /nfs/dbraw/zinc/19/26/36/1075192636.db2.gz XZPPVTDYSZABGN-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001565830624 1075192639 /nfs/dbraw/zinc/19/26/39/1075192639.db2.gz XZPPVTDYSZABGN-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001565830624 1075192640 /nfs/dbraw/zinc/19/26/40/1075192640.db2.gz XZPPVTDYSZABGN-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001565835648 1075193274 /nfs/dbraw/zinc/19/32/74/1075193274.db2.gz QSIXKMRENLCGDB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001565835648 1075193276 /nfs/dbraw/zinc/19/32/76/1075193276.db2.gz QSIXKMRENLCGDB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001565835648 1075193279 /nfs/dbraw/zinc/19/32/79/1075193279.db2.gz QSIXKMRENLCGDB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567128347 1075438306 /nfs/dbraw/zinc/43/83/06/1075438306.db2.gz NYVZDNKHSXNGPL-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567171700 1075452577 /nfs/dbraw/zinc/45/25/77/1075452577.db2.gz HNVWDGUIDDWKOT-DLBZAZTESA-N 2 1 316.449 2.012 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769182 1079474507 /nfs/dbraw/zinc/47/45/07/1079474507.db2.gz AUOIDIKXXGAINT-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267898949 1079585307 /nfs/dbraw/zinc/58/53/07/1079585307.db2.gz YEQQXQXYCFXUAF-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267932946 1079615016 /nfs/dbraw/zinc/61/50/16/1079615016.db2.gz XHCVSUWHFOGKQQ-YVSFHVDLSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268001148 1079682759 /nfs/dbraw/zinc/68/27/59/1079682759.db2.gz WVHIJTHRCXYTGO-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001484721703 1079756672 /nfs/dbraw/zinc/75/66/72/1079756672.db2.gz LWXCLFPQYDQBOV-CVEARBPZSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481401289 1079787059 /nfs/dbraw/zinc/78/70/59/1079787059.db2.gz VRSIGQZNQQQURG-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481401289 1079787062 /nfs/dbraw/zinc/78/70/62/1079787062.db2.gz VRSIGQZNQQQURG-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481401289 1079787067 /nfs/dbraw/zinc/78/70/67/1079787067.db2.gz VRSIGQZNQQQURG-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001484768545 1079794580 /nfs/dbraw/zinc/79/45/80/1079794580.db2.gz ASLMIPYNAUKWTE-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001484768545 1079794586 /nfs/dbraw/zinc/79/45/86/1079794586.db2.gz ASLMIPYNAUKWTE-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481405214 1079795297 /nfs/dbraw/zinc/79/52/97/1079795297.db2.gz BKAZIMBGKJYKGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481405214 1079795299 /nfs/dbraw/zinc/79/52/99/1079795299.db2.gz BKAZIMBGKJYKGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001481405214 1079795304 /nfs/dbraw/zinc/79/53/04/1079795304.db2.gz BKAZIMBGKJYKGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481405214 1079795310 /nfs/dbraw/zinc/79/53/10/1079795310.db2.gz BKAZIMBGKJYKGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001268037461 1079872205 /nfs/dbraw/zinc/87/22/05/1079872205.db2.gz JCESNOGOJGNZAI-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485037299 1079932479 /nfs/dbraw/zinc/93/24/79/1079932479.db2.gz NAQSGMUQEHXOPA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001485073116 1079958390 /nfs/dbraw/zinc/95/83/90/1079958390.db2.gz KPNBPKTUSNKGAB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001485073116 1079958394 /nfs/dbraw/zinc/95/83/94/1079958394.db2.gz KPNBPKTUSNKGAB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268068823 1080015547 /nfs/dbraw/zinc/01/55/47/1080015547.db2.gz OUJQFHOJWWLKLQ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481535975 1080019827 /nfs/dbraw/zinc/01/98/27/1080019827.db2.gz QMSQVXHXKUQDGE-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481535975 1080019836 /nfs/dbraw/zinc/01/98/36/1080019836.db2.gz QMSQVXHXKUQDGE-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001268138022 1080106867 /nfs/dbraw/zinc/10/68/67/1080106867.db2.gz OSHZCOLPMIBYPA-ZWKOTPCHSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345551 1080157774 /nfs/dbraw/zinc/15/77/74/1080157774.db2.gz SVZYVLFHBOESKC-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345551 1080157776 /nfs/dbraw/zinc/15/77/76/1080157776.db2.gz SVZYVLFHBOESKC-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001481647398 1080229558 /nfs/dbraw/zinc/22/95/58/1080229558.db2.gz DVMRKSHZSMVNCL-UHFFFAOYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253021 1080232203 /nfs/dbraw/zinc/23/22/03/1080232203.db2.gz IOOKMJGDOFEQTN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268253021 1080232211 /nfs/dbraw/zinc/23/22/11/1080232211.db2.gz IOOKMJGDOFEQTN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268253021 1080232217 /nfs/dbraw/zinc/23/22/17/1080232217.db2.gz IOOKMJGDOFEQTN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568572 1080301497 /nfs/dbraw/zinc/30/14/97/1080301497.db2.gz CUIHIPOLHQFUQW-LSDHHAIUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568572 1080301504 /nfs/dbraw/zinc/30/15/04/1080301504.db2.gz CUIHIPOLHQFUQW-LSDHHAIUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481695224 1080313765 /nfs/dbraw/zinc/31/37/65/1080313765.db2.gz INQBFMVNLPKNBK-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001272715298 1080481312 /nfs/dbraw/zinc/48/13/12/1080481312.db2.gz ZRBGTMVKNGWZPD-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272718275 1080499206 /nfs/dbraw/zinc/49/92/06/1080499206.db2.gz GBHKSKKFSVQJLK-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP CC#CC[NH2+]CCN(CC)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268462764 1080535878 /nfs/dbraw/zinc/53/58/78/1080535878.db2.gz UCJDFGFIHVKZNM-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001662116941 1080570567 /nfs/dbraw/zinc/57/05/67/1080570567.db2.gz HAGKVDCMFGGLSO-DAWZGUTISA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001482000110 1080681089 /nfs/dbraw/zinc/68/10/89/1080681089.db2.gz GGDQUMDEKGHVEU-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001663185463 1080716932 /nfs/dbraw/zinc/71/69/32/1080716932.db2.gz YTGLDWNKKJURFZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663185463 1080716938 /nfs/dbraw/zinc/71/69/38/1080716938.db2.gz YTGLDWNKKJURFZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663185463 1080716946 /nfs/dbraw/zinc/71/69/46/1080716946.db2.gz YTGLDWNKKJURFZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001482044334 1080740932 /nfs/dbraw/zinc/74/09/32/1080740932.db2.gz SWJZAUKHPILACH-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761104 1080813831 /nfs/dbraw/zinc/81/38/31/1080813831.db2.gz HXPLAMJRJQMDCF-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001663761104 1080813843 /nfs/dbraw/zinc/81/38/43/1080813843.db2.gz HXPLAMJRJQMDCF-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001663761104 1080813847 /nfs/dbraw/zinc/81/38/47/1080813847.db2.gz HXPLAMJRJQMDCF-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001664468171 1080913843 /nfs/dbraw/zinc/91/38/43/1080913843.db2.gz VKDPUEJRABUKAE-APWZRJJASA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268734837 1080960628 /nfs/dbraw/zinc/96/06/28/1080960628.db2.gz BBMQLBPULKNJMY-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001665134487 1080993955 /nfs/dbraw/zinc/99/39/55/1080993955.db2.gz PBYSQFJRRQPOCZ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001665134487 1080993963 /nfs/dbraw/zinc/99/39/63/1080993963.db2.gz PBYSQFJRRQPOCZ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001666017575 1081111561 /nfs/dbraw/zinc/11/15/61/1081111561.db2.gz RTLFLYVIDNTFPM-MPGHIAIKSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001666333610 1081144678 /nfs/dbraw/zinc/14/46/78/1081144678.db2.gz YQDLEGASMXDJHP-SFHVURJKSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001666347201 1081146877 /nfs/dbraw/zinc/14/68/77/1081146877.db2.gz GIGGBVXBQJTYLB-GOSISDBHSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001269251149 1081184235 /nfs/dbraw/zinc/18/42/35/1081184235.db2.gz LXBYBEXBFYEALG-HZPDHXFCSA-N 2 1 304.438 2.189 20 30 DEEDMP C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001269251149 1081184237 /nfs/dbraw/zinc/18/42/37/1081184237.db2.gz LXBYBEXBFYEALG-HZPDHXFCSA-N 2 1 304.438 2.189 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001666927373 1081193962 /nfs/dbraw/zinc/19/39/62/1081193962.db2.gz IZQZGBGYDFLUEU-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001666927373 1081193964 /nfs/dbraw/zinc/19/39/64/1081193964.db2.gz IZQZGBGYDFLUEU-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667028068 1081203467 /nfs/dbraw/zinc/20/34/67/1081203467.db2.gz DLQJMYBQGMCUHC-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001667117966 1081213400 /nfs/dbraw/zinc/21/34/00/1081213400.db2.gz HSIIKNJFQARWHU-AEFFLSMTSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001667413393 1081250533 /nfs/dbraw/zinc/25/05/33/1081250533.db2.gz OJTWYETYLOPGPQ-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001667413393 1081250536 /nfs/dbraw/zinc/25/05/36/1081250536.db2.gz OJTWYETYLOPGPQ-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001667413393 1081250540 /nfs/dbraw/zinc/25/05/40/1081250540.db2.gz OJTWYETYLOPGPQ-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667489348 1081257829 /nfs/dbraw/zinc/25/78/29/1081257829.db2.gz UOJPVRIGMUSWHT-NVXWUHKLSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001269552854 1081287189 /nfs/dbraw/zinc/28/71/89/1081287189.db2.gz JLCLGWJGXMQVLX-QGZVFWFLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001269552854 1081287196 /nfs/dbraw/zinc/28/71/96/1081287196.db2.gz JLCLGWJGXMQVLX-QGZVFWFLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001269552854 1081287200 /nfs/dbraw/zinc/28/72/00/1081287200.db2.gz JLCLGWJGXMQVLX-QGZVFWFLSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269699708 1081337563 /nfs/dbraw/zinc/33/75/63/1081337563.db2.gz IENPBRYBSYKXSZ-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001269737807 1081350898 /nfs/dbraw/zinc/35/08/98/1081350898.db2.gz UUCVJZWBMIOJFW-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269743204 1081353696 /nfs/dbraw/zinc/35/36/96/1081353696.db2.gz YSVCGZZVKCGWDW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269743204 1081353701 /nfs/dbraw/zinc/35/37/01/1081353701.db2.gz YSVCGZZVKCGWDW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269743204 1081353703 /nfs/dbraw/zinc/35/37/03/1081353703.db2.gz YSVCGZZVKCGWDW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001269997398 1081421792 /nfs/dbraw/zinc/42/17/92/1081421792.db2.gz HAGKVDCMFGGLSO-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001269997397 1081421825 /nfs/dbraw/zinc/42/18/25/1081421825.db2.gz HAGKVDCMFGGLSO-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669911308 1081478824 /nfs/dbraw/zinc/47/88/24/1081478824.db2.gz UWFXYIPJLFUUNQ-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001671536209 1081522040 /nfs/dbraw/zinc/52/20/40/1081522040.db2.gz MGMGYUFPVUFWJO-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001673650997 1081789450 /nfs/dbraw/zinc/78/94/50/1081789450.db2.gz QAUYBUMWFWCWND-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673650997 1081789459 /nfs/dbraw/zinc/78/94/59/1081789459.db2.gz QAUYBUMWFWCWND-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673650997 1081789466 /nfs/dbraw/zinc/78/94/66/1081789466.db2.gz QAUYBUMWFWCWND-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001674343079 1081861863 /nfs/dbraw/zinc/86/18/63/1081861863.db2.gz MKRXRDNMQVXYLA-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466067 1082055878 /nfs/dbraw/zinc/05/58/78/1082055878.db2.gz ILHMMLDBECXJMN-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468213 1082056784 /nfs/dbraw/zinc/05/67/84/1082056784.db2.gz MDQYOJAHURUDDS-IAGOWNOFSA-N 2 1 316.449 2.074 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766643 1082330593 /nfs/dbraw/zinc/33/05/93/1082330593.db2.gz IADUIVYDROQCTG-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001272053794 1082340602 /nfs/dbraw/zinc/34/06/02/1082340602.db2.gz OTWCVMSSHMTVAP-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053794 1082340608 /nfs/dbraw/zinc/34/06/08/1082340608.db2.gz OTWCVMSSHMTVAP-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053794 1082340615 /nfs/dbraw/zinc/34/06/15/1082340615.db2.gz OTWCVMSSHMTVAP-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661283 1082441093 /nfs/dbraw/zinc/44/10/93/1082441093.db2.gz DFHLAWRXTZOFIV-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661283 1082441095 /nfs/dbraw/zinc/44/10/95/1082441095.db2.gz DFHLAWRXTZOFIV-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661283 1082441101 /nfs/dbraw/zinc/44/11/01/1082441101.db2.gz DFHLAWRXTZOFIV-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661964 1082441875 /nfs/dbraw/zinc/44/18/75/1082441875.db2.gz IEBNBCSMCSWSET-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001272092763 1082465096 /nfs/dbraw/zinc/46/50/96/1082465096.db2.gz INUKJVWLTKOTFJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001272092763 1082465099 /nfs/dbraw/zinc/46/50/99/1082465099.db2.gz INUKJVWLTKOTFJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001272092763 1082465100 /nfs/dbraw/zinc/46/51/00/1082465100.db2.gz INUKJVWLTKOTFJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482925223 1082564184 /nfs/dbraw/zinc/56/41/84/1082564184.db2.gz YZQLXWLRYCNDOY-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001272216874 1082677937 /nfs/dbraw/zinc/67/79/37/1082677937.db2.gz XYUSKCHZIOWHDC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483227592 1082828756 /nfs/dbraw/zinc/82/87/56/1082828756.db2.gz LXYGYVWSBMTOBP-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001276644212 1083530152 /nfs/dbraw/zinc/53/01/52/1083530152.db2.gz ZSCSBWMHMIJREP-IRXDYDNUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277280155 1083892000 /nfs/dbraw/zinc/89/20/00/1083892000.db2.gz NNEIRKFWGPRXQN-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001277398892 1083948474 /nfs/dbraw/zinc/94/84/74/1083948474.db2.gz UROOCUFYGBJFJN-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277398892 1083948483 /nfs/dbraw/zinc/94/84/83/1083948483.db2.gz UROOCUFYGBJFJN-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277398892 1083948493 /nfs/dbraw/zinc/94/84/93/1083948493.db2.gz UROOCUFYGBJFJN-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491132938 1084103718 /nfs/dbraw/zinc/10/37/18/1084103718.db2.gz HUPKTDXZVVGWPX-SFHVURJKSA-N 2 1 319.493 2.104 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235334144 1084392919 /nfs/dbraw/zinc/39/29/19/1084392919.db2.gz HETXVTBJULRXQY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235334142 1084393979 /nfs/dbraw/zinc/39/39/79/1084393979.db2.gz HETXVTBJULRXQY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCCCCCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868110 1084555010 /nfs/dbraw/zinc/55/50/10/1084555010.db2.gz AGMLMMKJGBHXBH-UHFFFAOYSA-N 2 1 324.557 2.378 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001486147969 1085092479 /nfs/dbraw/zinc/09/24/79/1085092479.db2.gz OFDYWSJXZKHBFK-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001486147969 1085092482 /nfs/dbraw/zinc/09/24/82/1085092482.db2.gz OFDYWSJXZKHBFK-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001486440904 1085324856 /nfs/dbraw/zinc/32/48/56/1085324856.db2.gz FTHSJBBVNAUJTG-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CCC)CC1 ZINC001486440904 1085324866 /nfs/dbraw/zinc/32/48/66/1085324866.db2.gz FTHSJBBVNAUJTG-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927429 1086600096 /nfs/dbraw/zinc/60/00/96/1086600096.db2.gz UORVWDLGOMKZCY-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517605 1088369197 /nfs/dbraw/zinc/36/91/97/1088369197.db2.gz YMOJYGOGMADQQK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789816 1088404447 /nfs/dbraw/zinc/40/44/47/1088404447.db2.gz YFYOEJNNNJCYDV-UKRRQHHQSA-N 2 1 321.490 2.436 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789816 1088404460 /nfs/dbraw/zinc/40/44/60/1088404460.db2.gz YFYOEJNNNJCYDV-UKRRQHHQSA-N 2 1 321.490 2.436 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701503 1090402801 /nfs/dbraw/zinc/40/28/01/1090402801.db2.gz GXRXJHOTTVJKBP-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701503 1090402805 /nfs/dbraw/zinc/40/28/05/1090402805.db2.gz GXRXJHOTTVJKBP-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701503 1090402809 /nfs/dbraw/zinc/40/28/09/1090402809.db2.gz GXRXJHOTTVJKBP-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953534 1090542810 /nfs/dbraw/zinc/54/28/10/1090542810.db2.gz SJMWAGKOGQSGDB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953534 1090542813 /nfs/dbraw/zinc/54/28/13/1090542813.db2.gz SJMWAGKOGQSGDB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953534 1090542818 /nfs/dbraw/zinc/54/28/18/1090542818.db2.gz SJMWAGKOGQSGDB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274412533 1091230166 /nfs/dbraw/zinc/23/01/66/1091230166.db2.gz GUAUBQSKJWWEBE-DKRLNXSXSA-N 2 1 307.482 2.478 20 30 DEEDMP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001438922457 1091434617 /nfs/dbraw/zinc/43/46/17/1091434617.db2.gz MZKMBVFTWQATMV-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001274886039 1091457804 /nfs/dbraw/zinc/45/78/04/1091457804.db2.gz YGGWNCMSTNVJHM-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001275108193 1091559379 /nfs/dbraw/zinc/55/93/79/1091559379.db2.gz MVDFENMYXYJQJY-CALCHBBNSA-N 2 1 300.450 2.451 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCCC ZINC001275115208 1091565437 /nfs/dbraw/zinc/56/54/37/1091565437.db2.gz MWPNKDAGWXTEDP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCCC ZINC001275115208 1091565443 /nfs/dbraw/zinc/56/54/43/1091565443.db2.gz MWPNKDAGWXTEDP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCCC ZINC001275115208 1091565453 /nfs/dbraw/zinc/56/54/53/1091565453.db2.gz MWPNKDAGWXTEDP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCCC ZINC001275115208 1091565460 /nfs/dbraw/zinc/56/54/60/1091565460.db2.gz MWPNKDAGWXTEDP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001275580904 1091884049 /nfs/dbraw/zinc/88/40/49/1091884049.db2.gz UGYFYGKAMNYROB-HOTGVXAUSA-N 2 1 303.450 2.177 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275580904 1091884052 /nfs/dbraw/zinc/88/40/52/1091884052.db2.gz UGYFYGKAMNYROB-HOTGVXAUSA-N 2 1 303.450 2.177 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001273523723 1091901636 /nfs/dbraw/zinc/90/16/36/1091901636.db2.gz DDPLEHRWRPISRW-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001273523723 1091901640 /nfs/dbraw/zinc/90/16/40/1091901640.db2.gz DDPLEHRWRPISRW-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001273523723 1091901645 /nfs/dbraw/zinc/90/16/45/1091901645.db2.gz DDPLEHRWRPISRW-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948738816 1091908556 /nfs/dbraw/zinc/90/85/56/1091908556.db2.gz NUXLELKVZPUKLR-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742436 1091910751 /nfs/dbraw/zinc/91/07/51/1091910751.db2.gz JMZWACFVQGDAGU-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775635 1091928640 /nfs/dbraw/zinc/92/86/40/1091928640.db2.gz NOTPFKBURTZYLV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775635 1091928647 /nfs/dbraw/zinc/92/86/47/1091928647.db2.gz NOTPFKBURTZYLV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775635 1091928653 /nfs/dbraw/zinc/92/86/53/1091928653.db2.gz NOTPFKBURTZYLV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001446017274 1092075732 /nfs/dbraw/zinc/07/57/32/1092075732.db2.gz SJUXDCKRXJKHJB-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001006441863 1092119594 /nfs/dbraw/zinc/11/95/94/1092119594.db2.gz GEFQAPFNEMDLML-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001488666574 1092672272 /nfs/dbraw/zinc/67/22/72/1092672272.db2.gz BYRDKMUNINSQCD-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001488666574 1092672280 /nfs/dbraw/zinc/67/22/80/1092672280.db2.gz BYRDKMUNINSQCD-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001490372147 1093328986 /nfs/dbraw/zinc/32/89/86/1093328986.db2.gz KVPXKXJLDWTJKR-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001490372147 1093328995 /nfs/dbraw/zinc/32/89/95/1093328995.db2.gz KVPXKXJLDWTJKR-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001490372147 1093329000 /nfs/dbraw/zinc/32/90/00/1093329000.db2.gz KVPXKXJLDWTJKR-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001490410043 1093368925 /nfs/dbraw/zinc/36/89/25/1093368925.db2.gz WTTKCOHHDDWYJT-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480324631 1151758885 /nfs/dbraw/zinc/75/88/85/1151758885.db2.gz ROUSGDNAMFYMPO-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001235519940 1138331289 /nfs/dbraw/zinc/33/12/89/1138331289.db2.gz WCQAKZRPNSIJOS-UHFFFAOYSA-N 2 1 312.417 2.383 20 30 DEEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC001237465561 1138644145 /nfs/dbraw/zinc/64/41/45/1138644145.db2.gz TYLWIUJALGVLON-UHFFFAOYSA-N 2 1 307.401 2.396 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296066295 1139702285 /nfs/dbraw/zinc/70/22/85/1139702285.db2.gz WVIXQDBPWJKCRJ-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001318699779 1140389318 /nfs/dbraw/zinc/38/93/18/1140389318.db2.gz YRRDXFMAUUUQRW-QGPMSJSTSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001319693331 1140666137 /nfs/dbraw/zinc/66/61/37/1140666137.db2.gz BPQFVBIJBXWIGP-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319751575 1140703653 /nfs/dbraw/zinc/70/36/53/1140703653.db2.gz QXNUXFQBEGWRDW-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001320047925 1140815831 /nfs/dbraw/zinc/81/58/31/1140815831.db2.gz LFMQKBYNQKVNPR-IKGGRYGDSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320047925 1140815835 /nfs/dbraw/zinc/81/58/35/1140815835.db2.gz LFMQKBYNQKVNPR-IKGGRYGDSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320047925 1140815836 /nfs/dbraw/zinc/81/58/36/1140815836.db2.gz LFMQKBYNQKVNPR-IKGGRYGDSA-N 2 1 309.498 2.462 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047028 1140853023 /nfs/dbraw/zinc/85/30/23/1140853023.db2.gz BYIAZBDQJUEEFJ-ROUUACIJSA-N 2 1 311.514 2.205 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246732800 1141047161 /nfs/dbraw/zinc/04/71/61/1141047161.db2.gz IBHJCGCOGDGJTP-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246732800 1141047169 /nfs/dbraw/zinc/04/71/69/1141047169.db2.gz IBHJCGCOGDGJTP-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772279 1141055500 /nfs/dbraw/zinc/05/55/00/1141055500.db2.gz ZYIANWFSNXNCFU-ZJPYXAASSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772279 1141055512 /nfs/dbraw/zinc/05/55/12/1141055512.db2.gz ZYIANWFSNXNCFU-ZJPYXAASSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001278465706 1141059771 /nfs/dbraw/zinc/05/97/71/1141059771.db2.gz BQVHDXAJBDOLRW-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001278465706 1141059782 /nfs/dbraw/zinc/05/97/82/1141059782.db2.gz BQVHDXAJBDOLRW-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001278465706 1141059792 /nfs/dbraw/zinc/05/97/92/1141059792.db2.gz BQVHDXAJBDOLRW-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP CCCCCCC[C@@H](CC)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822660 1141074239 /nfs/dbraw/zinc/07/42/39/1141074239.db2.gz SGMMLOVFSGNCAT-GOSISDBHSA-N 2 1 312.546 2.210 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001323636798 1141872491 /nfs/dbraw/zinc/87/24/91/1141872491.db2.gz GYKXEVAFAAWDDF-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001323946062 1141910600 /nfs/dbraw/zinc/91/06/00/1141910600.db2.gz JPUFTNFHTDWTSU-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001323946062 1141910645 /nfs/dbraw/zinc/91/06/45/1141910645.db2.gz JPUFTNFHTDWTSU-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324286664 1142049017 /nfs/dbraw/zinc/04/90/17/1142049017.db2.gz RPAPELFLPQBGAD-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001253189876 1142851549 /nfs/dbraw/zinc/85/15/49/1142851549.db2.gz MOYRLUATYFYHOT-IBGZPJMESA-N 2 1 315.461 2.440 20 30 DEEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638768 1143293217 /nfs/dbraw/zinc/29/32/17/1143293217.db2.gz QLWXXHCMKSLDDG-LPHOPBHVSA-N 2 1 312.461 2.216 20 30 DEEDMP C=CCC[C@@H](C)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727844 1144035920 /nfs/dbraw/zinc/03/59/20/1144035920.db2.gz JULFBIYGWIPQJB-CVEARBPZSA-N 2 1 318.465 2.492 20 30 DEEDMP C#C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001261179377 1144225039 /nfs/dbraw/zinc/22/50/39/1144225039.db2.gz ISRJOZIGYZWLBG-KRWDZBQOSA-N 2 1 303.425 2.325 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC001263106637 1144356585 /nfs/dbraw/zinc/35/65/85/1144356585.db2.gz BGSPKICUSRWQRS-HOTGVXAUSA-N 2 1 321.852 2.497 20 30 DEEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001264043236 1144447681 /nfs/dbraw/zinc/44/76/81/1144447681.db2.gz NYHLLXWOHSSUFW-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264177798 1144495534 /nfs/dbraw/zinc/49/55/34/1144495534.db2.gz FOEJOGUJLQRLOA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001264196617 1144505490 /nfs/dbraw/zinc/50/54/90/1144505490.db2.gz HODTYDDFEWIOMO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001264196617 1144505494 /nfs/dbraw/zinc/50/54/94/1144505494.db2.gz HODTYDDFEWIOMO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001264196617 1144505500 /nfs/dbraw/zinc/50/55/00/1144505500.db2.gz HODTYDDFEWIOMO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC)C1 ZINC001264677928 1144591033 /nfs/dbraw/zinc/59/10/33/1144591033.db2.gz LNIXAULIUFAHLD-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC)C1 ZINC001264677928 1144591041 /nfs/dbraw/zinc/59/10/41/1144591041.db2.gz LNIXAULIUFAHLD-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001265182715 1144662138 /nfs/dbraw/zinc/66/21/38/1144662138.db2.gz NDBUZMRFXPZWII-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001265182715 1144662140 /nfs/dbraw/zinc/66/21/40/1144662140.db2.gz NDBUZMRFXPZWII-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001265182715 1144662142 /nfs/dbraw/zinc/66/21/42/1144662142.db2.gz NDBUZMRFXPZWII-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001265309935 1144689831 /nfs/dbraw/zinc/68/98/31/1144689831.db2.gz DCNRCIAHULARDD-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265626105 1144719230 /nfs/dbraw/zinc/71/92/30/1144719230.db2.gz OCGXEQNDYXOKNT-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265626102 1144719280 /nfs/dbraw/zinc/71/92/80/1144719280.db2.gz OCGXEQNDYXOKNT-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696836 1144730028 /nfs/dbraw/zinc/73/00/28/1144730028.db2.gz KIZICMVFXGNTJG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001265982164 1144776601 /nfs/dbraw/zinc/77/66/01/1144776601.db2.gz CTTRHVXPQGNUNM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266069882 1144802363 /nfs/dbraw/zinc/80/23/63/1144802363.db2.gz FGWROLKZXFGTQY-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266169549 1144811348 /nfs/dbraw/zinc/81/13/48/1144811348.db2.gz CGPANIHRTBMADJ-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266222902 1144815940 /nfs/dbraw/zinc/81/59/40/1144815940.db2.gz GVHYIQSHZLYLRO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266222902 1144815941 /nfs/dbraw/zinc/81/59/41/1144815941.db2.gz GVHYIQSHZLYLRO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266222902 1144815942 /nfs/dbraw/zinc/81/59/42/1144815942.db2.gz GVHYIQSHZLYLRO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001279368056 1144821462 /nfs/dbraw/zinc/82/14/62/1144821462.db2.gz GPRBVBOJPUXGGY-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001280354305 1144836384 /nfs/dbraw/zinc/83/63/84/1144836384.db2.gz MSLOHPRVEIPNMS-YJBOKZPZSA-N 2 1 313.445 2.071 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001280864498 1144860183 /nfs/dbraw/zinc/86/01/83/1144860183.db2.gz PRQTWWGVUZZRSP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001280864498 1144860184 /nfs/dbraw/zinc/86/01/84/1144860184.db2.gz PRQTWWGVUZZRSP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001280864498 1144860186 /nfs/dbraw/zinc/86/01/86/1144860186.db2.gz PRQTWWGVUZZRSP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001281862182 1144916790 /nfs/dbraw/zinc/91/67/90/1144916790.db2.gz KYQDDOQHXNSCAM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001282959590 1145213719 /nfs/dbraw/zinc/21/37/19/1145213719.db2.gz VOFTVHOBWCIRJD-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001282959590 1145213725 /nfs/dbraw/zinc/21/37/25/1145213725.db2.gz VOFTVHOBWCIRJD-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001283340020 1145369267 /nfs/dbraw/zinc/36/92/67/1145369267.db2.gz DPPBIXOWIFPAIK-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001283340020 1145369272 /nfs/dbraw/zinc/36/92/72/1145369272.db2.gz DPPBIXOWIFPAIK-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001283340020 1145369278 /nfs/dbraw/zinc/36/92/78/1145369278.db2.gz DPPBIXOWIFPAIK-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001492170494 1147112446 /nfs/dbraw/zinc/11/24/46/1147112446.db2.gz FTVQVHJUEZLYJK-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203863 1147273914 /nfs/dbraw/zinc/27/39/14/1147273914.db2.gz APIQINQMPZNLOM-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317330640 1147342590 /nfs/dbraw/zinc/34/25/90/1147342590.db2.gz MXXJZEKXHPQUIT-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001316910527 1147571617 /nfs/dbraw/zinc/57/16/17/1147571617.db2.gz AACZAUWSQLPEPT-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001316910527 1147571629 /nfs/dbraw/zinc/57/16/29/1147571629.db2.gz AACZAUWSQLPEPT-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001316910527 1147571639 /nfs/dbraw/zinc/57/16/39/1147571639.db2.gz AACZAUWSQLPEPT-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099378 1147659371 /nfs/dbraw/zinc/65/93/71/1147659371.db2.gz CBDOBWKKZXXHSL-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317171432 1147670343 /nfs/dbraw/zinc/67/03/43/1147670343.db2.gz AVHNEQTYBRWIFP-HOTGVXAUSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317407847 1147702429 /nfs/dbraw/zinc/70/24/29/1147702429.db2.gz ZGPJJMQGWCTIFM-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001317700143 1147745524 /nfs/dbraw/zinc/74/55/24/1147745524.db2.gz NAAVSOZLCODGBJ-MRXNPFEDSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001317700143 1147745526 /nfs/dbraw/zinc/74/55/26/1147745526.db2.gz NAAVSOZLCODGBJ-MRXNPFEDSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001317708473 1147746153 /nfs/dbraw/zinc/74/61/53/1147746153.db2.gz CJNXVCHKTXUQLS-CALCHBBNSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001317708473 1147746155 /nfs/dbraw/zinc/74/61/55/1147746155.db2.gz CJNXVCHKTXUQLS-CALCHBBNSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001317708473 1147746157 /nfs/dbraw/zinc/74/61/57/1147746157.db2.gz CJNXVCHKTXUQLS-CALCHBBNSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318273195 1147806477 /nfs/dbraw/zinc/80/64/77/1147806477.db2.gz OOWNQMCZAMAJBE-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318273195 1147806478 /nfs/dbraw/zinc/80/64/78/1147806478.db2.gz OOWNQMCZAMAJBE-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318273195 1147806479 /nfs/dbraw/zinc/80/64/79/1147806479.db2.gz OOWNQMCZAMAJBE-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001325707895 1147986969 /nfs/dbraw/zinc/98/69/69/1147986969.db2.gz GGEXSEDIVIKGCY-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762064 354980208 /nfs/dbraw/zinc/98/02/08/354980208.db2.gz BEARFQYDQZPMCQ-AWEZNQCLSA-N 2 1 308.857 2.299 20 30 DEEDMP C[NH+](CC#CC[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000276613770 213000575 /nfs/dbraw/zinc/00/05/75/213000575.db2.gz SVQSOZWLKVYJLY-UHFFFAOYSA-N 2 1 322.456 2.129 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000602515553 360413964 /nfs/dbraw/zinc/41/39/64/360413964.db2.gz PMETXUBKAXWCHF-QGZVFWFLSA-N 2 1 314.477 2.463 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000134119573 401899406 /nfs/dbraw/zinc/89/94/06/401899406.db2.gz XOUQHIKNTKVARS-HNNXBMFYSA-N 2 1 318.465 2.077 20 30 DEEDMP CCCCNC(=[NH2+])NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000285145493 403278182 /nfs/dbraw/zinc/27/81/82/403278182.db2.gz RMWJYBJZAOWHCF-IRXDYDNUSA-N 2 1 318.465 2.153 20 30 DEEDMP CCCCNC(=[NH2+])NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000285145493 403278185 /nfs/dbraw/zinc/27/81/85/403278185.db2.gz RMWJYBJZAOWHCF-IRXDYDNUSA-N 2 1 318.465 2.153 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343924290 403794360 /nfs/dbraw/zinc/79/43/60/403794360.db2.gz MVONHOPJXYOJNG-APWZRJJASA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343924290 403794364 /nfs/dbraw/zinc/79/43/64/403794364.db2.gz MVONHOPJXYOJNG-APWZRJJASA-N 2 1 312.461 2.016 20 30 DEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560525507 405841112 /nfs/dbraw/zinc/84/11/12/405841112.db2.gz PKAOPKWTDKPBDZ-KRWDZBQOSA-N 2 1 312.461 2.458 20 30 DEEDMP C[N@@H+](C[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343899 405862396 /nfs/dbraw/zinc/86/23/96/405862396.db2.gz RNFCJUONJCKOOI-IBGZPJMESA-N 2 1 311.429 2.102 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805085 406897021 /nfs/dbraw/zinc/89/70/21/406897021.db2.gz MOTMSIYQZMJMSO-AEGPPILISA-N 2 1 321.490 2.367 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327159 1173242036 /nfs/dbraw/zinc/24/20/36/1173242036.db2.gz RXEJFPLCFRUOGV-ZIAGYGMSSA-N 2 1 315.889 2.296 20 30 DEEDMP FC1(F)C[C@@]12CC[NH+](CC#CC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908108 425100341 /nfs/dbraw/zinc/10/03/41/425100341.db2.gz HAEZHNQQUBPGEI-OKILXGFUSA-N 2 1 316.342 2.452 20 30 DEEDMP FC1(F)C[C@@]12CC[N@@H+](CC#CC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908108 425100344 /nfs/dbraw/zinc/10/03/44/425100344.db2.gz HAEZHNQQUBPGEI-OKILXGFUSA-N 2 1 316.342 2.452 20 30 DEEDMP FC1(F)C[C@@]12CC[N@H+](CC#CC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908108 425100346 /nfs/dbraw/zinc/10/03/46/425100346.db2.gz HAEZHNQQUBPGEI-OKILXGFUSA-N 2 1 316.342 2.452 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252775 425602166 /nfs/dbraw/zinc/60/21/66/425602166.db2.gz OOQQZZYVVGLUBE-QGZVFWFLSA-N 2 1 302.418 2.204 20 30 DEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000583360688 332352746 /nfs/dbraw/zinc/35/27/46/332352746.db2.gz DKMMMIKSVONKTM-LZQZEXGQSA-N 2 1 313.445 2.425 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(CC)c2)CC1 ZINC000583376659 332373220 /nfs/dbraw/zinc/37/32/20/332373220.db2.gz YZCYPMGSIPINHX-SFHVURJKSA-N 2 1 318.461 2.229 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001329935606 1149018544 /nfs/dbraw/zinc/01/85/44/1149018544.db2.gz FKGNLCXPKJCVNO-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001329935606 1149018550 /nfs/dbraw/zinc/01/85/50/1149018550.db2.gz FKGNLCXPKJCVNO-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001330020933 1149034774 /nfs/dbraw/zinc/03/47/74/1149034774.db2.gz JUCWJGXNJRZDEZ-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001330020932 1149035072 /nfs/dbraw/zinc/03/50/72/1149035072.db2.gz JUCWJGXNJRZDEZ-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001401151859 1161883690 /nfs/dbraw/zinc/88/36/90/1161883690.db2.gz IOZZLUBKKLRMMU-XJKSGUPXSA-N 2 1 323.868 2.384 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000264095861 533988848 /nfs/dbraw/zinc/98/88/48/533988848.db2.gz MMARUFWMFKHMNU-ZDUSSCGKSA-N 2 1 320.437 2.305 20 30 DEEDMP C[C@H]1C[NH+]=C(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)N1 ZINC000262628015 533990052 /nfs/dbraw/zinc/99/00/52/533990052.db2.gz DXTWROQXMLOAJS-UONOGXRCSA-N 2 1 306.479 2.458 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327450247 1148558717 /nfs/dbraw/zinc/55/87/17/1148558717.db2.gz XVRUFJNKFHJAIG-KRWDZBQOSA-N 2 1 319.493 2.243 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NCC(C)(C)c1cccs1 ZINC000262547586 526370007 /nfs/dbraw/zinc/37/00/07/526370007.db2.gz SKMOWWBTSNFKRN-ZDUSSCGKSA-N 2 1 308.495 2.285 20 30 DEEDMP CCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264142191 528160562 /nfs/dbraw/zinc/16/05/62/528160562.db2.gz WVDDIGIQMWPCLQ-INIZCTEOSA-N 2 1 304.438 2.146 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCc3ccccc32)C1 ZINC000263115979 528257048 /nfs/dbraw/zinc/25/70/48/528257048.db2.gz FUNPYFONCWQERX-OAHLLOKOSA-N 2 1 300.450 2.356 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255647 529100633 /nfs/dbraw/zinc/10/06/33/529100633.db2.gz IDKGTNMUHKATBF-INIZCTEOSA-N 2 1 318.465 2.016 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000264067244 529176710 /nfs/dbraw/zinc/17/67/10/529176710.db2.gz BUDIBUWDZIWBIF-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000264067244 529176712 /nfs/dbraw/zinc/17/67/12/529176712.db2.gz BUDIBUWDZIWBIF-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000264067244 529176713 /nfs/dbraw/zinc/17/67/13/529176713.db2.gz BUDIBUWDZIWBIF-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327540263 1148581554 /nfs/dbraw/zinc/58/15/54/1148581554.db2.gz IABIVJMWSQQUQR-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001330467971 1149150454 /nfs/dbraw/zinc/15/04/54/1149150454.db2.gz OBWBAKXVAQARRF-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001382354129 1153433039 /nfs/dbraw/zinc/43/30/39/1153433039.db2.gz ZRSITZOPVFCMJL-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001382354129 1153433041 /nfs/dbraw/zinc/43/30/41/1153433041.db2.gz ZRSITZOPVFCMJL-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001382354129 1153433042 /nfs/dbraw/zinc/43/30/42/1153433042.db2.gz ZRSITZOPVFCMJL-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001382354129 1153433044 /nfs/dbraw/zinc/43/30/44/1153433044.db2.gz ZRSITZOPVFCMJL-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001023585513 625333452 /nfs/dbraw/zinc/33/34/52/625333452.db2.gz GBBDNISAFRPJOQ-HUUCEWRRSA-N 2 1 316.449 2.234 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023585513 625333454 /nfs/dbraw/zinc/33/34/54/625333454.db2.gz GBBDNISAFRPJOQ-HUUCEWRRSA-N 2 1 316.449 2.234 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707878 625396144 /nfs/dbraw/zinc/39/61/44/625396144.db2.gz YZSYIIHWJVMCRW-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707878 625396146 /nfs/dbraw/zinc/39/61/46/625396146.db2.gz YZSYIIHWJVMCRW-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707878 625396150 /nfs/dbraw/zinc/39/61/50/625396150.db2.gz YZSYIIHWJVMCRW-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311118 625446987 /nfs/dbraw/zinc/44/69/87/625446987.db2.gz YGFKSEPNIGYPNI-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972701065 625469229 /nfs/dbraw/zinc/46/92/29/625469229.db2.gz SHKLFFROWAXICQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972701065 625469231 /nfs/dbraw/zinc/46/92/31/625469231.db2.gz SHKLFFROWAXICQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972701065 625469232 /nfs/dbraw/zinc/46/92/32/625469232.db2.gz SHKLFFROWAXICQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319076 623400928 /nfs/dbraw/zinc/40/09/28/623400928.db2.gz RBKLFILCNGYYEQ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604154 623818966 /nfs/dbraw/zinc/81/89/66/623818966.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604154 623818975 /nfs/dbraw/zinc/81/89/75/623818975.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604154 623818984 /nfs/dbraw/zinc/81/89/84/623818984.db2.gz BGIIBEKBEZRWEG-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636535 623872118 /nfs/dbraw/zinc/87/21/18/623872118.db2.gz QSMCMGDOHJUFLA-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636535 623872129 /nfs/dbraw/zinc/87/21/29/623872129.db2.gz QSMCMGDOHJUFLA-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664298 623920802 /nfs/dbraw/zinc/92/08/02/623920802.db2.gz GXNHWWHDQWLCHE-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735421 624017893 /nfs/dbraw/zinc/01/78/93/624017893.db2.gz FDLDOTFXVVNMIA-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735421 624017895 /nfs/dbraw/zinc/01/78/95/624017895.db2.gz FDLDOTFXVVNMIA-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542156 624185018 /nfs/dbraw/zinc/18/50/18/624185018.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542156 624185019 /nfs/dbraw/zinc/18/50/19/624185019.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542156 624185020 /nfs/dbraw/zinc/18/50/20/624185020.db2.gz ZLOHOIQNEQZWBY-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683043 624504773 /nfs/dbraw/zinc/50/47/73/624504773.db2.gz SCFIMMKSOCNGDM-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683043 624504776 /nfs/dbraw/zinc/50/47/76/624504776.db2.gz SCFIMMKSOCNGDM-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683043 624504779 /nfs/dbraw/zinc/50/47/79/624504779.db2.gz SCFIMMKSOCNGDM-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972177187 624878779 /nfs/dbraw/zinc/87/87/79/624878779.db2.gz PFYHTBLUNZIUPJ-KKUMJFAQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972177187 624878781 /nfs/dbraw/zinc/87/87/81/624878781.db2.gz PFYHTBLUNZIUPJ-KKUMJFAQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177187 624878783 /nfs/dbraw/zinc/87/87/83/624878783.db2.gz PFYHTBLUNZIUPJ-KKUMJFAQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177187 624878784 /nfs/dbraw/zinc/87/87/84/624878784.db2.gz PFYHTBLUNZIUPJ-KKUMJFAQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402032 625254220 /nfs/dbraw/zinc/25/42/20/625254220.db2.gz DJMMQVGRNKAFEX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402032 625254223 /nfs/dbraw/zinc/25/42/23/625254223.db2.gz DJMMQVGRNKAFEX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436907 625770998 /nfs/dbraw/zinc/77/09/98/625770998.db2.gz JZFBHCGFBUEBFH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436907 625771000 /nfs/dbraw/zinc/77/10/00/625771000.db2.gz JZFBHCGFBUEBFH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521058 625841457 /nfs/dbraw/zinc/84/14/57/625841457.db2.gz OJLLWWCRTLROCK-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC(C)(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000888379400 634507151 /nfs/dbraw/zinc/50/71/51/634507151.db2.gz UNSPNTXAJACRBC-UHFFFAOYSA-N 2 1 302.422 2.374 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608256 633178648 /nfs/dbraw/zinc/17/86/48/633178648.db2.gz XSNHEEYNXZEILR-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608256 633178653 /nfs/dbraw/zinc/17/86/53/633178653.db2.gz XSNHEEYNXZEILR-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608256 633178656 /nfs/dbraw/zinc/17/86/56/633178656.db2.gz XSNHEEYNXZEILR-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679819 633348008 /nfs/dbraw/zinc/34/80/08/633348008.db2.gz QVULBCAVHOQZDE-CQSZACIVSA-N 2 1 322.840 2.094 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921525682 633584399 /nfs/dbraw/zinc/58/43/99/633584399.db2.gz AEQQOLMMYHMMPA-UHFFFAOYSA-N 2 1 306.479 2.127 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434894 633757142 /nfs/dbraw/zinc/75/71/42/633757142.db2.gz PLICYHLYWHHSFL-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997640907 633908425 /nfs/dbraw/zinc/90/84/25/633908425.db2.gz BAZNPTLCIRRYAH-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3ncc[nH]3)C[C@H]2C1 ZINC000980232335 634907233 /nfs/dbraw/zinc/90/72/33/634907233.db2.gz WGYIKGYKTKZLNR-HRCADAONSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486679 635018823 /nfs/dbraw/zinc/01/88/23/635018823.db2.gz VMJMNFDYTJJGEF-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985571 635168746 /nfs/dbraw/zinc/16/87/46/635168746.db2.gz LDGQVPJTZAUAEP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985571 635168750 /nfs/dbraw/zinc/16/87/50/635168750.db2.gz LDGQVPJTZAUAEP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001089524 635404982 /nfs/dbraw/zinc/40/49/82/635404982.db2.gz PCDBQRHMGXBVIZ-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001089524 635404984 /nfs/dbraw/zinc/40/49/84/635404984.db2.gz PCDBQRHMGXBVIZ-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001089524 635404986 /nfs/dbraw/zinc/40/49/86/635404986.db2.gz PCDBQRHMGXBVIZ-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001230696 635432299 /nfs/dbraw/zinc/43/22/99/635432299.db2.gz WGYNSAHLFSJPLY-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230696 635432301 /nfs/dbraw/zinc/43/23/01/635432301.db2.gz WGYNSAHLFSJPLY-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230696 635432304 /nfs/dbraw/zinc/43/23/04/635432304.db2.gz WGYNSAHLFSJPLY-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363615 635454353 /nfs/dbraw/zinc/45/43/53/635454353.db2.gz JJWTUUZXEISODX-GJZGRUSLSA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001372874 635479858 /nfs/dbraw/zinc/47/98/58/635479858.db2.gz AAXQGKGAHYHXFE-UHFFFAOYSA-N 2 1 314.433 2.086 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404612 635488233 /nfs/dbraw/zinc/48/82/33/635488233.db2.gz JKPPVJRFSMBVHG-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001001471970 635504340 /nfs/dbraw/zinc/50/43/40/635504340.db2.gz PMJOBJMEXQFMJK-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001471970 635504344 /nfs/dbraw/zinc/50/43/44/635504344.db2.gz PMJOBJMEXQFMJK-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001471970 635504348 /nfs/dbraw/zinc/50/43/48/635504348.db2.gz PMJOBJMEXQFMJK-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052473 635845390 /nfs/dbraw/zinc/84/53/90/635845390.db2.gz LXEQDRYNBPFXJA-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234983 635911122 /nfs/dbraw/zinc/91/11/22/635911122.db2.gz FYELWXJWWLQHHZ-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234983 635911126 /nfs/dbraw/zinc/91/11/26/635911126.db2.gz FYELWXJWWLQHHZ-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028252128 635960120 /nfs/dbraw/zinc/96/01/20/635960120.db2.gz QWAHIEWPCJRSDC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252128 635960122 /nfs/dbraw/zinc/96/01/22/635960122.db2.gz QWAHIEWPCJRSDC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252128 635960125 /nfs/dbraw/zinc/96/01/25/635960125.db2.gz QWAHIEWPCJRSDC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537493 636328885 /nfs/dbraw/zinc/32/88/85/636328885.db2.gz MAZPXJZSEYFFET-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537493 636328888 /nfs/dbraw/zinc/32/88/88/636328888.db2.gz MAZPXJZSEYFFET-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537493 636328892 /nfs/dbraw/zinc/32/88/92/636328892.db2.gz MAZPXJZSEYFFET-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537493 636328896 /nfs/dbraw/zinc/32/88/96/636328896.db2.gz MAZPXJZSEYFFET-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616120 636465441 /nfs/dbraw/zinc/46/54/41/636465441.db2.gz WJMGEAVXXKOVTM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616120 636465444 /nfs/dbraw/zinc/46/54/44/636465444.db2.gz WJMGEAVXXKOVTM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616120 636465447 /nfs/dbraw/zinc/46/54/47/636465447.db2.gz WJMGEAVXXKOVTM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595334 636475304 /nfs/dbraw/zinc/47/53/04/636475304.db2.gz XZFRGNACSZGVHW-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595334 636475307 /nfs/dbraw/zinc/47/53/07/636475307.db2.gz XZFRGNACSZGVHW-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644542 636525186 /nfs/dbraw/zinc/52/51/86/636525186.db2.gz GSUOPYJXUOXNNA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644542 636525191 /nfs/dbraw/zinc/52/51/91/636525191.db2.gz GSUOPYJXUOXNNA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644542 636525196 /nfs/dbraw/zinc/52/51/96/636525196.db2.gz GSUOPYJXUOXNNA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ncc[nH]3)CC[C@@H]2C1 ZINC000946833917 636867026 /nfs/dbraw/zinc/86/70/26/636867026.db2.gz OEXZCYSKJLLKJE-IYBDPMFKSA-N 2 1 316.449 2.089 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871158 636920735 /nfs/dbraw/zinc/92/07/35/636920735.db2.gz LIZUTZINIOCHMN-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856846 636955241 /nfs/dbraw/zinc/95/52/41/636955241.db2.gz QXIGXIDBYJAFFT-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856846 636955251 /nfs/dbraw/zinc/95/52/51/636955251.db2.gz QXIGXIDBYJAFFT-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856846 636955256 /nfs/dbraw/zinc/95/52/56/636955256.db2.gz QXIGXIDBYJAFFT-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1C ZINC000923497349 637214350 /nfs/dbraw/zinc/21/43/50/637214350.db2.gz DRNYAVFNNZEIRO-CZUORRHYSA-N 2 1 303.450 2.390 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985465835 639446615 /nfs/dbraw/zinc/44/66/15/639446615.db2.gz YHPWTGFFKGFZRI-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985465835 639446619 /nfs/dbraw/zinc/44/66/19/639446619.db2.gz YHPWTGFFKGFZRI-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985465835 639446621 /nfs/dbraw/zinc/44/66/21/639446621.db2.gz YHPWTGFFKGFZRI-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985682981 639582635 /nfs/dbraw/zinc/58/26/35/639582635.db2.gz PBDZRNURBGRRQS-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989507595 641130420 /nfs/dbraw/zinc/13/04/20/641130420.db2.gz SEYPRTMBXAKSAY-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000989737549 641214983 /nfs/dbraw/zinc/21/49/83/641214983.db2.gz SHKFBSDRGRRNFQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000989737549 641214985 /nfs/dbraw/zinc/21/49/85/641214985.db2.gz SHKFBSDRGRRNFQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000989737549 641214987 /nfs/dbraw/zinc/21/49/87/641214987.db2.gz SHKFBSDRGRRNFQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990683082 641600824 /nfs/dbraw/zinc/60/08/24/641600824.db2.gz IVEQVLQAJWDPAL-ZHALLVOQSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946226 /nfs/dbraw/zinc/94/62/26/641946226.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946230 /nfs/dbraw/zinc/94/62/30/641946230.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759595 641946235 /nfs/dbraw/zinc/94/62/35/641946235.db2.gz DQHUJRKLTSUDTL-LHHMISFZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785845 642070353 /nfs/dbraw/zinc/07/03/53/642070353.db2.gz AAGRTIVDIBDWMI-YWTNHNAXSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785845 642070355 /nfs/dbraw/zinc/07/03/55/642070355.db2.gz AAGRTIVDIBDWMI-YWTNHNAXSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785845 642070357 /nfs/dbraw/zinc/07/03/57/642070357.db2.gz AAGRTIVDIBDWMI-YWTNHNAXSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CNC(NC[C@H]1CCC[N@@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912499566 646087492 /nfs/dbraw/zinc/08/74/92/646087492.db2.gz RMYDCOOETUFUAW-OAHLLOKOSA-N 2 1 310.486 2.007 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993602670 647703953 /nfs/dbraw/zinc/70/39/53/647703953.db2.gz AVVRYAQGNQSKOF-HOTGVXAUSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993602670 647703956 /nfs/dbraw/zinc/70/39/56/647703956.db2.gz AVVRYAQGNQSKOF-HOTGVXAUSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993922604 647767380 /nfs/dbraw/zinc/76/73/80/647767380.db2.gz BWQOOIBWXDEBGW-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994425345 647946634 /nfs/dbraw/zinc/94/66/34/647946634.db2.gz SBLDJNUWVKJUBN-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994425345 647946639 /nfs/dbraw/zinc/94/66/39/647946639.db2.gz SBLDJNUWVKJUBN-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C(C)(C)C1 ZINC000940813655 648951078 /nfs/dbraw/zinc/95/10/78/648951078.db2.gz YXMOYPKGKKZVIF-IIAWOOMASA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000940813655 648951081 /nfs/dbraw/zinc/95/10/81/648951081.db2.gz YXMOYPKGKKZVIF-IIAWOOMASA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000940813655 648951084 /nfs/dbraw/zinc/95/10/84/648951084.db2.gz YXMOYPKGKKZVIF-IIAWOOMASA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026836 648988163 /nfs/dbraw/zinc/98/81/63/648988163.db2.gz OPJFPMUAHBLCSB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026836 648988165 /nfs/dbraw/zinc/98/81/65/648988165.db2.gz OPJFPMUAHBLCSB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026836 648988167 /nfs/dbraw/zinc/98/81/67/648988167.db2.gz OPJFPMUAHBLCSB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941162931 649011522 /nfs/dbraw/zinc/01/15/22/649011522.db2.gz CEBVAZOHGODEAK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162931 649011524 /nfs/dbraw/zinc/01/15/24/649011524.db2.gz CEBVAZOHGODEAK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162931 649011526 /nfs/dbraw/zinc/01/15/26/649011526.db2.gz CEBVAZOHGODEAK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941169534 649014309 /nfs/dbraw/zinc/01/43/09/649014309.db2.gz OJWIYPHLGDEUKZ-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169534 649014310 /nfs/dbraw/zinc/01/43/10/649014310.db2.gz OJWIYPHLGDEUKZ-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169534 649014316 /nfs/dbraw/zinc/01/43/16/649014316.db2.gz OJWIYPHLGDEUKZ-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215921 649021971 /nfs/dbraw/zinc/02/19/71/649021971.db2.gz BKHDNDJTZWFYAI-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215921 649021972 /nfs/dbraw/zinc/02/19/72/649021972.db2.gz BKHDNDJTZWFYAI-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215921 649021975 /nfs/dbraw/zinc/02/19/75/649021975.db2.gz BKHDNDJTZWFYAI-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172376 649174149 /nfs/dbraw/zinc/17/41/49/649174149.db2.gz JSBZRMCHUOWKBT-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203908 649183004 /nfs/dbraw/zinc/18/30/04/649183004.db2.gz LIYNYXLTKJWPOA-SUMWQHHRSA-N 2 1 312.417 2.269 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824644 649290702 /nfs/dbraw/zinc/29/07/02/649290702.db2.gz YGZZXEMIJROKGN-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804314 649358842 /nfs/dbraw/zinc/35/88/42/649358842.db2.gz GOQXAGODUIEUFT-BGYRXZFFSA-N 2 1 316.489 2.474 20 30 DEEDMP C#CC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804314 649358844 /nfs/dbraw/zinc/35/88/44/649358844.db2.gz GOQXAGODUIEUFT-BGYRXZFFSA-N 2 1 316.489 2.474 20 30 DEEDMP C#CC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804314 649358846 /nfs/dbraw/zinc/35/88/46/649358846.db2.gz GOQXAGODUIEUFT-BGYRXZFFSA-N 2 1 316.489 2.474 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000106034029 651277798 /nfs/dbraw/zinc/27/77/98/651277798.db2.gz UBUUEJHHHUAXLZ-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259198 693904336 /nfs/dbraw/zinc/90/43/36/693904336.db2.gz PGCMUQRTPMWUBR-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259198 693904338 /nfs/dbraw/zinc/90/43/38/693904338.db2.gz PGCMUQRTPMWUBR-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259198 693904342 /nfs/dbraw/zinc/90/43/42/693904342.db2.gz PGCMUQRTPMWUBR-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303871012 685236183 /nfs/dbraw/zinc/23/61/83/685236183.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303871012 685236186 /nfs/dbraw/zinc/23/61/86/685236186.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303871012 685236189 /nfs/dbraw/zinc/23/61/89/685236189.db2.gz FOYYYELWTLEJSP-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796653 687425189 /nfs/dbraw/zinc/42/51/89/687425189.db2.gz ZGCDGJGOBLLKTD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015978280 687488779 /nfs/dbraw/zinc/48/87/79/687488779.db2.gz YNVNLJIMDJYUJC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015978280 687488782 /nfs/dbraw/zinc/48/87/82/687488782.db2.gz YNVNLJIMDJYUJC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015978280 687488786 /nfs/dbraw/zinc/48/87/86/687488786.db2.gz YNVNLJIMDJYUJC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363136 687548431 /nfs/dbraw/zinc/54/84/31/687548431.db2.gz JNGWEEZHVVPAFY-CYBMUJFWSA-N 2 1 307.369 2.210 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363136 687548432 /nfs/dbraw/zinc/54/84/32/687548432.db2.gz JNGWEEZHVVPAFY-CYBMUJFWSA-N 2 1 307.369 2.210 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016790870 687703991 /nfs/dbraw/zinc/70/39/91/687703991.db2.gz QOTFFFXPGKWCBP-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828197 687711555 /nfs/dbraw/zinc/71/15/55/687711555.db2.gz DLOTVFPLKGBYDT-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016830422 687712032 /nfs/dbraw/zinc/71/20/32/687712032.db2.gz SCNNKNKXECMQNS-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550222 687910057 /nfs/dbraw/zinc/91/00/57/687910057.db2.gz URAKLMPODFGNGM-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550222 687910062 /nfs/dbraw/zinc/91/00/62/687910062.db2.gz URAKLMPODFGNGM-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550222 687910069 /nfs/dbraw/zinc/91/00/69/687910069.db2.gz URAKLMPODFGNGM-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550222 687910072 /nfs/dbraw/zinc/91/00/72/687910072.db2.gz URAKLMPODFGNGM-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043139 689048060 /nfs/dbraw/zinc/04/80/60/689048060.db2.gz VWTMJTXTFHOVRD-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001032581303 689193499 /nfs/dbraw/zinc/19/34/99/689193499.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581303 689193502 /nfs/dbraw/zinc/19/35/02/689193502.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581303 689193504 /nfs/dbraw/zinc/19/35/04/689193504.db2.gz PTKGPXAPFRJGFB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144472 689403900 /nfs/dbraw/zinc/40/39/00/689403900.db2.gz XWDQQTJJYYEHHB-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144472 689403901 /nfs/dbraw/zinc/40/39/01/689403901.db2.gz XWDQQTJJYYEHHB-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144472 689403904 /nfs/dbraw/zinc/40/39/04/689403904.db2.gz XWDQQTJJYYEHHB-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCNC(=O)C[N@@H+](CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033000 694298875 /nfs/dbraw/zinc/29/88/75/694298875.db2.gz OOXCIFRHBULQMG-UHFFFAOYSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CCNC(=O)C[N@H+](CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033000 694298880 /nfs/dbraw/zinc/29/88/80/694298880.db2.gz OOXCIFRHBULQMG-UHFFFAOYSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033830432 689630143 /nfs/dbraw/zinc/63/01/43/689630143.db2.gz IEKJDOCQILSWLN-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855298 689640609 /nfs/dbraw/zinc/64/06/09/689640609.db2.gz JHMGWUHIDYUBFW-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855298 689640611 /nfs/dbraw/zinc/64/06/11/689640611.db2.gz JHMGWUHIDYUBFW-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855298 689640612 /nfs/dbraw/zinc/64/06/12/689640612.db2.gz JHMGWUHIDYUBFW-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033934979 689666481 /nfs/dbraw/zinc/66/64/81/689666481.db2.gz OQBIHTQCRQAOPE-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033934979 689666485 /nfs/dbraw/zinc/66/64/85/689666485.db2.gz OQBIHTQCRQAOPE-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033934979 689666488 /nfs/dbraw/zinc/66/64/88/689666488.db2.gz OQBIHTQCRQAOPE-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251010 689781931 /nfs/dbraw/zinc/78/19/31/689781931.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251010 689781937 /nfs/dbraw/zinc/78/19/37/689781937.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251010 689781939 /nfs/dbraw/zinc/78/19/39/689781939.db2.gz USHLZYIWFWBMDC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250744 689782194 /nfs/dbraw/zinc/78/21/94/689782194.db2.gz SDVQXAKMFSRRKI-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250744 689782198 /nfs/dbraw/zinc/78/21/98/689782198.db2.gz SDVQXAKMFSRRKI-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250744 689782203 /nfs/dbraw/zinc/78/22/03/689782203.db2.gz SDVQXAKMFSRRKI-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251015 689782438 /nfs/dbraw/zinc/78/24/38/689782438.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251015 689782440 /nfs/dbraw/zinc/78/24/40/689782440.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251015 689782443 /nfs/dbraw/zinc/78/24/43/689782443.db2.gz USHLZYIWFWBMDC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260305 689785130 /nfs/dbraw/zinc/78/51/30/689785130.db2.gz IDWWECPXOMWYLL-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290307 689796982 /nfs/dbraw/zinc/79/69/82/689796982.db2.gz IBGPNXNZCSKAAM-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331942 689812445 /nfs/dbraw/zinc/81/24/45/689812445.db2.gz WBVSBYZHJGVPKX-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364862 689824054 /nfs/dbraw/zinc/82/40/54/689824054.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364862 689824057 /nfs/dbraw/zinc/82/40/57/689824057.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364862 689824060 /nfs/dbraw/zinc/82/40/60/689824060.db2.gz WXFWBSFIOJRNGA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034493543 689872769 /nfs/dbraw/zinc/87/27/69/689872769.db2.gz UXQPICDCSOOWNP-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034493543 689872773 /nfs/dbraw/zinc/87/27/73/689872773.db2.gz UXQPICDCSOOWNP-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034493543 689872774 /nfs/dbraw/zinc/87/27/74/689872774.db2.gz UXQPICDCSOOWNP-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034493543 689872778 /nfs/dbraw/zinc/87/27/78/689872778.db2.gz UXQPICDCSOOWNP-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000876711934 689912426 /nfs/dbraw/zinc/91/24/26/689912426.db2.gz JIPIXHCVVUEZFQ-OAHLLOKOSA-N 2 1 309.841 2.095 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876742215 689923708 /nfs/dbraw/zinc/92/37/08/689923708.db2.gz ZVZLYJDSXWRDOK-XJKSGUPXSA-N 2 1 321.852 2.019 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C(C)C)CC2 ZINC001035807589 690181720 /nfs/dbraw/zinc/18/17/20/690181720.db2.gz LCPCWGNDASGMMU-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP COCC[N@H+](Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000877665339 690183355 /nfs/dbraw/zinc/18/33/55/690183355.db2.gz RMQXOXORTUOLCB-UHFFFAOYSA-N 2 1 307.463 2.410 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814914 690183821 /nfs/dbraw/zinc/18/38/21/690183821.db2.gz VBOJIWDIBSJLCH-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814916 690183922 /nfs/dbraw/zinc/18/39/22/690183922.db2.gz VBOJIWDIBSJLCH-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC1CCCCC1 ZINC000878097464 690308390 /nfs/dbraw/zinc/30/83/90/690308390.db2.gz CYJXVWJNTALLOY-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049240 691003295 /nfs/dbraw/zinc/00/32/95/691003295.db2.gz JWGOWNIZNBBDOR-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373350 691091256 /nfs/dbraw/zinc/09/12/56/691091256.db2.gz PIWMSNYMWKLEMR-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373350 691091258 /nfs/dbraw/zinc/09/12/58/691091258.db2.gz PIWMSNYMWKLEMR-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373350 691091260 /nfs/dbraw/zinc/09/12/60/691091260.db2.gz PIWMSNYMWKLEMR-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039437084 691106000 /nfs/dbraw/zinc/10/60/00/691106000.db2.gz AAUHTYRUKLWDIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437084 691106001 /nfs/dbraw/zinc/10/60/01/691106001.db2.gz AAUHTYRUKLWDIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437084 691106004 /nfs/dbraw/zinc/10/60/04/691106004.db2.gz AAUHTYRUKLWDIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040114372 691199308 /nfs/dbraw/zinc/19/93/08/691199308.db2.gz KGXDNCQGYBWPPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040114372 691199310 /nfs/dbraw/zinc/19/93/10/691199310.db2.gz KGXDNCQGYBWPPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040114372 691199313 /nfs/dbraw/zinc/19/93/13/691199313.db2.gz KGXDNCQGYBWPPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729644 691282949 /nfs/dbraw/zinc/28/29/49/691282949.db2.gz KKTLXPGGLHZBGM-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040773860 691286904 /nfs/dbraw/zinc/28/69/04/691286904.db2.gz BXNANLTYYRUWMP-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716481 691415200 /nfs/dbraw/zinc/41/52/00/691415200.db2.gz WTZNIFWXJKBDLI-GOSISDBHSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716481 691415205 /nfs/dbraw/zinc/41/52/05/691415205.db2.gz WTZNIFWXJKBDLI-GOSISDBHSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042157593 691524971 /nfs/dbraw/zinc/52/49/71/691524971.db2.gz SIRZHXMQWKHEJL-RHSMWYFYSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042202504 691535236 /nfs/dbraw/zinc/53/52/36/691535236.db2.gz DARQDOYKDCJEDQ-HOCLYGCPSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042202504 691535238 /nfs/dbraw/zinc/53/52/38/691535238.db2.gz DARQDOYKDCJEDQ-HOCLYGCPSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942811 692058836 /nfs/dbraw/zinc/05/88/36/692058836.db2.gz AFLUHOYTQRHABV-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979913 692067704 /nfs/dbraw/zinc/06/77/04/692067704.db2.gz MPPVSYBALSYGGA-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979913 692067706 /nfs/dbraw/zinc/06/77/06/692067706.db2.gz MPPVSYBALSYGGA-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979913 692067709 /nfs/dbraw/zinc/06/77/09/692067709.db2.gz MPPVSYBALSYGGA-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046740545 692280622 /nfs/dbraw/zinc/28/06/22/692280622.db2.gz ALYSZJZODPOMQH-SFHVURJKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263830 692404432 /nfs/dbraw/zinc/40/44/32/692404432.db2.gz DEXCLEOTFMSEIR-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582495 692652847 /nfs/dbraw/zinc/65/28/47/692652847.db2.gz PCLZABPSMTZLRE-BJWYYQGGSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048862502 692712113 /nfs/dbraw/zinc/71/21/13/692712113.db2.gz WRMHAQUYVBRMBL-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862502 692712114 /nfs/dbraw/zinc/71/21/14/692712114.db2.gz WRMHAQUYVBRMBL-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862502 692712119 /nfs/dbraw/zinc/71/21/19/692712119.db2.gz WRMHAQUYVBRMBL-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170689 692779377 /nfs/dbraw/zinc/77/93/77/692779377.db2.gz BLSGBLNJPSUBLM-WNRNVDISSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049464586 692890748 /nfs/dbraw/zinc/89/07/48/692890748.db2.gz NWGROOJXYNQLTB-BRWVUGGUSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464586 692890751 /nfs/dbraw/zinc/89/07/51/692890751.db2.gz NWGROOJXYNQLTB-BRWVUGGUSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464586 692890754 /nfs/dbraw/zinc/89/07/54/692890754.db2.gz NWGROOJXYNQLTB-BRWVUGGUSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509410 692904318 /nfs/dbraw/zinc/90/43/18/692904318.db2.gz UCBQDZZLQGKOIY-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509410 692904321 /nfs/dbraw/zinc/90/43/21/692904321.db2.gz UCBQDZZLQGKOIY-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509410 692904323 /nfs/dbraw/zinc/90/43/23/692904323.db2.gz UCBQDZZLQGKOIY-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509408 692904903 /nfs/dbraw/zinc/90/49/03/692904903.db2.gz UCBQDZZLQGKOIY-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509408 692904906 /nfs/dbraw/zinc/90/49/06/692904906.db2.gz UCBQDZZLQGKOIY-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509408 692904909 /nfs/dbraw/zinc/90/49/09/692904909.db2.gz UCBQDZZLQGKOIY-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566933 692923641 /nfs/dbraw/zinc/92/36/41/692923641.db2.gz HFBNGPJGLFLYLH-IRXDYDNUSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724806 692977398 /nfs/dbraw/zinc/97/73/98/692977398.db2.gz UCCDVLMJLVWWSU-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724806 692977404 /nfs/dbraw/zinc/97/74/04/692977404.db2.gz UCCDVLMJLVWWSU-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724806 692977407 /nfs/dbraw/zinc/97/74/07/692977407.db2.gz UCCDVLMJLVWWSU-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760993 692991149 /nfs/dbraw/zinc/99/11/49/692991149.db2.gz FAESSFWZRITWIP-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095721 693106631 /nfs/dbraw/zinc/10/66/31/693106631.db2.gz ZYSMKLIGZWEHGE-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095721 693106633 /nfs/dbraw/zinc/10/66/33/693106633.db2.gz ZYSMKLIGZWEHGE-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001050694827 693233724 /nfs/dbraw/zinc/23/37/24/693233724.db2.gz LKBMCQNWICPINA-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485727 693545836 /nfs/dbraw/zinc/54/58/36/693545836.db2.gz CFXVCFAZJKIULY-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676477 693593361 /nfs/dbraw/zinc/59/33/61/693593361.db2.gz HCSCCXZJENNXFX-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052712289 693600616 /nfs/dbraw/zinc/60/06/16/693600616.db2.gz GRJGUGLEVOOJQS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712289 693600618 /nfs/dbraw/zinc/60/06/18/693600618.db2.gz GRJGUGLEVOOJQS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712289 693600622 /nfs/dbraw/zinc/60/06/22/693600622.db2.gz GRJGUGLEVOOJQS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052712001 693601106 /nfs/dbraw/zinc/60/11/06/693601106.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712001 693601108 /nfs/dbraw/zinc/60/11/08/693601108.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712001 693601110 /nfs/dbraw/zinc/60/11/10/693601110.db2.gz CMGDDFGBVSDTFZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052712292 693601319 /nfs/dbraw/zinc/60/13/19/693601319.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712292 693601322 /nfs/dbraw/zinc/60/13/22/693601322.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712292 693601326 /nfs/dbraw/zinc/60/13/26/693601326.db2.gz GRJGUGLEVOOJQS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873012 693638263 /nfs/dbraw/zinc/63/82/63/693638263.db2.gz MUSMMGKQIOLUIZ-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873012 693638266 /nfs/dbraw/zinc/63/82/66/693638266.db2.gz MUSMMGKQIOLUIZ-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221221 1149837621 /nfs/dbraw/zinc/83/76/21/1149837621.db2.gz WZZYUCNBWYAKJT-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332398990 1149856783 /nfs/dbraw/zinc/85/67/83/1149856783.db2.gz QGRIKHTVTLCPSN-GDBMZVCRSA-N 2 1 318.465 2.373 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001382519965 1153462165 /nfs/dbraw/zinc/46/21/65/1153462165.db2.gz JDAUUZVYEUZKPT-CYBMUJFWSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001393737542 1157941540 /nfs/dbraw/zinc/94/15/40/1157941540.db2.gz RLOYLNVRNZTJOP-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001377524528 1160489022 /nfs/dbraw/zinc/48/90/22/1160489022.db2.gz GNUIYKUCSMOLST-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001400075948 1161647578 /nfs/dbraw/zinc/64/75/78/1161647578.db2.gz BEYWWLUNMRTHTP-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001417814043 1167230179 /nfs/dbraw/zinc/23/01/79/1167230179.db2.gz NDGZASGCLKXYSP-HIFRSBDPSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001419726897 1168822265 /nfs/dbraw/zinc/82/22/65/1168822265.db2.gz JGGHONFMKBRDEI-CYBMUJFWSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001422551600 1172700238 /nfs/dbraw/zinc/70/02/38/1172700238.db2.gz YLFUCEOSZVDEPT-DOMZBBRYSA-N 2 1 319.852 2.046 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001437836859 1180022994 /nfs/dbraw/zinc/02/29/94/1180022994.db2.gz AUWCWYJSOYZLBS-DZGCQCFKSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001438770284 1180808363 /nfs/dbraw/zinc/80/83/63/1180808363.db2.gz LLXRAYMUOVGTAJ-CABCVRRESA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001449013518 1185487476 /nfs/dbraw/zinc/48/74/76/1185487476.db2.gz NFOGOWZALYMZHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001449013518 1185487479 /nfs/dbraw/zinc/48/74/79/1185487479.db2.gz NFOGOWZALYMZHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850103 790272925 /nfs/dbraw/zinc/27/29/25/790272925.db2.gz RAIKXTLBYMWIFG-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850103 790272930 /nfs/dbraw/zinc/27/29/30/790272930.db2.gz RAIKXTLBYMWIFG-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072850103 790272935 /nfs/dbraw/zinc/27/29/35/790272935.db2.gz RAIKXTLBYMWIFG-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001332741291 1149887375 /nfs/dbraw/zinc/88/73/75/1149887375.db2.gz VYRZZCHQKAMRIE-CALCHBBNSA-N 2 1 307.482 2.051 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001332741291 1149887378 /nfs/dbraw/zinc/88/73/78/1149887378.db2.gz VYRZZCHQKAMRIE-CALCHBBNSA-N 2 1 307.482 2.051 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001332741291 1149887379 /nfs/dbraw/zinc/88/73/79/1149887379.db2.gz VYRZZCHQKAMRIE-CALCHBBNSA-N 2 1 307.482 2.051 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001332741291 1149887381 /nfs/dbraw/zinc/88/73/81/1149887381.db2.gz VYRZZCHQKAMRIE-CALCHBBNSA-N 2 1 307.482 2.051 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332804066 1149894225 /nfs/dbraw/zinc/89/42/25/1149894225.db2.gz ANWFPJCBYXHVTC-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167096134 776659276 /nfs/dbraw/zinc/65/92/76/776659276.db2.gz TVTIAVYYIDWSFW-MSOLQXFVSA-N 2 1 315.461 2.004 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167224253 776779930 /nfs/dbraw/zinc/77/99/30/776779930.db2.gz IBCBWTXPGVHPMB-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237088 776789751 /nfs/dbraw/zinc/78/97/51/776789751.db2.gz UIDFSBNITADCOO-HOTGVXAUSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167438528 777046792 /nfs/dbraw/zinc/04/67/92/777046792.db2.gz XEXYIITYRVODLX-HZPDHXFCSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087318430 777782353 /nfs/dbraw/zinc/78/23/53/777782353.db2.gz XSZRMDHDVBGTAO-BPQIPLTHSA-N 2 1 319.493 2.264 20 30 DEEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237109446 778777700 /nfs/dbraw/zinc/77/77/00/778777700.db2.gz VGOIJPWXQSXTFQ-HNNXBMFYSA-N 2 1 317.433 2.178 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171117416 790680778 /nfs/dbraw/zinc/68/07/78/790680778.db2.gz AKRSVLWDANQUJJ-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088157949 779736553 /nfs/dbraw/zinc/73/65/53/779736553.db2.gz PMNQLYIZSQSIRI-MSOLQXFVSA-N 2 1 319.493 2.073 20 30 DEEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC001144080255 790747142 /nfs/dbraw/zinc/74/71/42/790747142.db2.gz GXUJOKOVSAUWPM-UHFFFAOYSA-N 2 1 307.401 2.396 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088316582 779940479 /nfs/dbraw/zinc/94/04/79/779940479.db2.gz DLJQLPQHGCGKPH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001088340977 779993669 /nfs/dbraw/zinc/99/36/69/779993669.db2.gz UAHZRMPSEMIAAR-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972782 780946688 /nfs/dbraw/zinc/94/66/88/780946688.db2.gz JJENARMOMQMCIU-MAUKXSAKSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324694 781218484 /nfs/dbraw/zinc/21/84/84/781218484.db2.gz YIAFBHLQFDFPKV-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659376 783332636 /nfs/dbraw/zinc/33/26/36/783332636.db2.gz ZDCPYOITRKCJCW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659376 783332642 /nfs/dbraw/zinc/33/26/42/783332642.db2.gz ZDCPYOITRKCJCW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659376 783332649 /nfs/dbraw/zinc/33/26/49/783332649.db2.gz ZDCPYOITRKCJCW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659376 783332656 /nfs/dbraw/zinc/33/26/56/783332656.db2.gz ZDCPYOITRKCJCW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659376 783332664 /nfs/dbraw/zinc/33/26/64/783332664.db2.gz ZDCPYOITRKCJCW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085224489 783590642 /nfs/dbraw/zinc/59/06/42/783590642.db2.gz IBJYDFPTIQTTAU-GVDBMIGSSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707119 784097334 /nfs/dbraw/zinc/09/73/34/784097334.db2.gz CPCWOWFIFQNWOO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820289 784110238 /nfs/dbraw/zinc/11/02/38/784110238.db2.gz VTMJZCCVLNXNIT-SFHVURJKSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820289 784110246 /nfs/dbraw/zinc/11/02/46/784110246.db2.gz VTMJZCCVLNXNIT-SFHVURJKSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855962 784151299 /nfs/dbraw/zinc/15/12/99/784151299.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855962 784151304 /nfs/dbraw/zinc/15/13/04/784151304.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855962 784151310 /nfs/dbraw/zinc/15/13/10/784151310.db2.gz NPUQJYAPALYDOE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085987699 784284755 /nfs/dbraw/zinc/28/47/55/784284755.db2.gz JJQDRIWDBPMIKM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085987699 784284761 /nfs/dbraw/zinc/28/47/61/784284761.db2.gz JJQDRIWDBPMIKM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085987699 784284767 /nfs/dbraw/zinc/28/47/67/784284767.db2.gz JJQDRIWDBPMIKM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087243 784397031 /nfs/dbraw/zinc/39/70/31/784397031.db2.gz UDSGGHJMOVGMJA-ZACQAIPSSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460567 784399224 /nfs/dbraw/zinc/39/92/24/784399224.db2.gz WRPZOTAYGZZRLQ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882157 784635156 /nfs/dbraw/zinc/63/51/56/784635156.db2.gz IPIJGWQFCHTNTO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882157 784635166 /nfs/dbraw/zinc/63/51/66/784635166.db2.gz IPIJGWQFCHTNTO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882157 784635176 /nfs/dbraw/zinc/63/51/76/784635176.db2.gz IPIJGWQFCHTNTO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882038 784636219 /nfs/dbraw/zinc/63/62/19/784636219.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882038 784636223 /nfs/dbraw/zinc/63/62/23/784636223.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882038 784636226 /nfs/dbraw/zinc/63/62/26/784636226.db2.gz FWNWMNIRZFYUHC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954295 784667771 /nfs/dbraw/zinc/66/77/71/784667771.db2.gz ATRJWGAFBMLWQM-QGZVFWFLSA-N 2 1 324.428 2.332 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954500 784669822 /nfs/dbraw/zinc/66/98/22/784669822.db2.gz DVMFVIBMFKOGQI-QGZVFWFLSA-N 2 1 324.428 2.332 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969058895 784709130 /nfs/dbraw/zinc/70/91/30/784709130.db2.gz CHZXSGMBLUWOJC-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058895 784709134 /nfs/dbraw/zinc/70/91/34/784709134.db2.gz CHZXSGMBLUWOJC-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058895 784709137 /nfs/dbraw/zinc/70/91/37/784709137.db2.gz CHZXSGMBLUWOJC-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086454451 784746528 /nfs/dbraw/zinc/74/65/28/784746528.db2.gz MQQCUKNDQFTLBW-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052743 785091467 /nfs/dbraw/zinc/09/14/67/785091467.db2.gz OPCKOOMASSXALS-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008549783 785237611 /nfs/dbraw/zinc/23/76/11/785237611.db2.gz GMTXSTZGTHMZHB-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008549783 785237617 /nfs/dbraw/zinc/23/76/17/785237617.db2.gz GMTXSTZGTHMZHB-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008549783 785237624 /nfs/dbraw/zinc/23/76/24/785237624.db2.gz GMTXSTZGTHMZHB-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C[C@@H](CO)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169781325 785366650 /nfs/dbraw/zinc/36/66/50/785366650.db2.gz REJQTNQHNTYTEP-ZFWWWQNUSA-N 2 1 300.406 2.310 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169507 785400999 /nfs/dbraw/zinc/40/09/99/785400999.db2.gz PGCOJTMDYSVEME-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169507 785401006 /nfs/dbraw/zinc/40/10/06/785401006.db2.gz PGCOJTMDYSVEME-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009169507 785401014 /nfs/dbraw/zinc/40/10/14/785401014.db2.gz PGCOJTMDYSVEME-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009169507 785401024 /nfs/dbraw/zinc/40/10/24/785401024.db2.gz PGCOJTMDYSVEME-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794074 785540516 /nfs/dbraw/zinc/54/05/16/785540516.db2.gz NRGWHBJMQRRCDE-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386086 785841925 /nfs/dbraw/zinc/84/19/25/785841925.db2.gz LQNOTCMCMXZSRJ-ORQFMDKSSA-N 2 1 316.449 2.419 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386086 785841932 /nfs/dbraw/zinc/84/19/32/785841932.db2.gz LQNOTCMCMXZSRJ-ORQFMDKSSA-N 2 1 316.449 2.419 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016597 786128580 /nfs/dbraw/zinc/12/85/80/786128580.db2.gz WDAPJCQEGMBXEA-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016597 786128584 /nfs/dbraw/zinc/12/85/84/786128584.db2.gz WDAPJCQEGMBXEA-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016597 786128589 /nfs/dbraw/zinc/12/85/89/786128589.db2.gz WDAPJCQEGMBXEA-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429497 787213276 /nfs/dbraw/zinc/21/32/76/787213276.db2.gz HEYJEWUGARHPBL-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107153 787934139 /nfs/dbraw/zinc/93/41/39/787934139.db2.gz XZNPWFDJCBRJDF-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107153 787934144 /nfs/dbraw/zinc/93/41/44/787934144.db2.gz XZNPWFDJCBRJDF-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001097317949 788058309 /nfs/dbraw/zinc/05/83/09/788058309.db2.gz JERXJSIMERMRPJ-OAGGEKHMSA-N 2 1 316.449 2.224 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121763 788287578 /nfs/dbraw/zinc/28/75/78/788287578.db2.gz KZCCXBPCCGAPPL-SJORKVTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097972378 788302537 /nfs/dbraw/zinc/30/25/37/788302537.db2.gz WBFVLHWZAHVLIZ-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166306 788304949 /nfs/dbraw/zinc/30/49/49/788304949.db2.gz SIZJFLHPYMMNFY-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345578 788375759 /nfs/dbraw/zinc/37/57/59/788375759.db2.gz DVXOUZGFKLHHFR-DZGCQCFKSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345363 788376701 /nfs/dbraw/zinc/37/67/01/788376701.db2.gz BDLKUNZLCHVDLB-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020423 789168531 /nfs/dbraw/zinc/16/85/31/789168531.db2.gz GXRMLWPUDNNQIM-CABCVRRESA-N 2 1 318.465 2.211 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789937 789188805 /nfs/dbraw/zinc/18/88/05/789188805.db2.gz RZJFVONNKZCBIE-RYQLBKOJSA-N 2 1 301.434 2.002 20 30 DEEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077231 789189767 /nfs/dbraw/zinc/18/97/67/789189767.db2.gz MOBHMHMNEUYDNH-JKSUJKDBSA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135600769 789411094 /nfs/dbraw/zinc/41/10/94/789411094.db2.gz MTVROLPROWJVFV-JKSUJKDBSA-N 2 1 318.465 2.293 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974655 789586094 /nfs/dbraw/zinc/58/60/94/789586094.db2.gz SNAVTDOIVOYWFW-KBPBESRZSA-N 2 1 303.878 2.344 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628174 789825857 /nfs/dbraw/zinc/82/58/57/789825857.db2.gz NWZAALUJDZITPI-HOCLYGCPSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001098760766 791696103 /nfs/dbraw/zinc/69/61/03/791696103.db2.gz IUYAFZBPSTYNOY-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001098760766 791696109 /nfs/dbraw/zinc/69/61/09/791696109.db2.gz IUYAFZBPSTYNOY-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001098760766 791696120 /nfs/dbraw/zinc/69/61/20/791696120.db2.gz IUYAFZBPSTYNOY-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001098760766 791696126 /nfs/dbraw/zinc/69/61/26/791696126.db2.gz IUYAFZBPSTYNOY-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285463 791729657 /nfs/dbraw/zinc/72/96/57/791729657.db2.gz SNMFTSDAARGLIH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148547894 791769311 /nfs/dbraw/zinc/76/93/11/791769311.db2.gz HYJBBNXIRQGEFC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148547894 791769312 /nfs/dbraw/zinc/76/93/12/791769312.db2.gz HYJBBNXIRQGEFC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148547894 791769314 /nfs/dbraw/zinc/76/93/14/791769314.db2.gz HYJBBNXIRQGEFC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900216 791814537 /nfs/dbraw/zinc/81/45/37/791814537.db2.gz WCWZYHMAZFLBJK-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788338 791883504 /nfs/dbraw/zinc/88/35/04/791883504.db2.gz WXKPHSFLGFOECH-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788338 791883508 /nfs/dbraw/zinc/88/35/08/791883508.db2.gz WXKPHSFLGFOECH-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788338 791883511 /nfs/dbraw/zinc/88/35/11/791883511.db2.gz WXKPHSFLGFOECH-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603042 792082414 /nfs/dbraw/zinc/08/24/14/792082414.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603042 792082424 /nfs/dbraw/zinc/08/24/24/792082424.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603042 792082437 /nfs/dbraw/zinc/08/24/37/792082437.db2.gz RYMJSXZNQFBGFG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467541 792119736 /nfs/dbraw/zinc/11/97/36/792119736.db2.gz NMTMKEPICSEOCU-WCXIOVBPSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056888 792221586 /nfs/dbraw/zinc/22/15/86/792221586.db2.gz UDQZOMMLMILZGZ-CRAIPNDOSA-N 2 1 315.461 2.232 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093225279 792294747 /nfs/dbraw/zinc/29/47/47/792294747.db2.gz JZNNCJBQGMJNIA-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093225279 792294754 /nfs/dbraw/zinc/29/47/54/792294754.db2.gz JZNNCJBQGMJNIA-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093225279 792294760 /nfs/dbraw/zinc/29/47/60/792294760.db2.gz JZNNCJBQGMJNIA-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149601 792619043 /nfs/dbraw/zinc/61/90/43/792619043.db2.gz QXOGPDHRGOJZGY-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720077 792811300 /nfs/dbraw/zinc/81/13/00/792811300.db2.gz FUEFHFSESBPMEH-UHFFFAOYSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065613 792999115 /nfs/dbraw/zinc/99/91/15/792999115.db2.gz ZYIWVJKUDRCAFN-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065613 792999124 /nfs/dbraw/zinc/99/91/24/792999124.db2.gz ZYIWVJKUDRCAFN-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739281 793206028 /nfs/dbraw/zinc/20/60/28/793206028.db2.gz BIKUUQOOSFGABQ-FUHWJXTLSA-N 2 1 312.461 2.227 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101557052 793230040 /nfs/dbraw/zinc/23/00/40/793230040.db2.gz REXLKWPRCXYJHR-UHFFFAOYSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357963 793585147 /nfs/dbraw/zinc/58/51/47/793585147.db2.gz PNTPKLPDNJEAQL-ZACQAIPSSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599039 793668928 /nfs/dbraw/zinc/66/89/28/793668928.db2.gz MJUOPGCKUNWXNO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C1CCC(CC#N)CC1 ZINC001173335697 793682193 /nfs/dbraw/zinc/68/21/93/793682193.db2.gz VRMSQUMQCGGEQM-UHFFFAOYSA-N 2 1 309.454 2.276 20 30 DEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCC(C)(C#N)CC1 ZINC001173595117 793774356 /nfs/dbraw/zinc/77/43/56/793774356.db2.gz SHKGIPOEFVZZRH-JDEYZFBPSA-N 2 1 304.482 2.169 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103701 793942047 /nfs/dbraw/zinc/94/20/47/793942047.db2.gz VDKGZFVTRHIEBI-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103701 793942057 /nfs/dbraw/zinc/94/20/57/793942057.db2.gz VDKGZFVTRHIEBI-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103701 793942067 /nfs/dbraw/zinc/94/20/67/793942067.db2.gz VDKGZFVTRHIEBI-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103755403 794213838 /nfs/dbraw/zinc/21/38/38/794213838.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103755403 794213840 /nfs/dbraw/zinc/21/38/40/794213840.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103755403 794213846 /nfs/dbraw/zinc/21/38/46/794213846.db2.gz GBYXBHQDITWZKJ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CNC(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)=[NH+]C ZINC000693764671 794518456 /nfs/dbraw/zinc/51/84/56/794518456.db2.gz CZFIOSLFWSWJIX-INIZCTEOSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544834 794815295 /nfs/dbraw/zinc/81/52/95/794815295.db2.gz DHMFMYILANHEES-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596380 794833762 /nfs/dbraw/zinc/83/37/62/794833762.db2.gz FCNUYWFYKWSTAF-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730910 794899078 /nfs/dbraw/zinc/89/90/78/794899078.db2.gz ULGNRRGXNRKSJF-JKSUJKDBSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811386 795002912 /nfs/dbraw/zinc/00/29/12/795002912.db2.gz UEARESFVMZLCBD-ROUUACIJSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179586434 795137681 /nfs/dbraw/zinc/13/76/81/795137681.db2.gz OQAWXXYEYJQFRU-DLBZAZTESA-N 2 1 309.498 2.417 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179587373 795138972 /nfs/dbraw/zinc/13/89/72/795138972.db2.gz ZWTONARKHCMFRM-ZFWWWQNUSA-N 2 1 315.889 2.203 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788394 795176727 /nfs/dbraw/zinc/17/67/27/795176727.db2.gz YJGUWXWNMZKIHS-ROUUACIJSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988217 795214513 /nfs/dbraw/zinc/21/45/13/795214513.db2.gz CZARZDFQDWLTRQ-UHFFFAOYSA-N 2 1 303.878 2.347 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138747 795240006 /nfs/dbraw/zinc/24/00/06/795240006.db2.gz NKJVGTRCTGYHIN-BBWFWOEESA-N 2 1 309.498 2.488 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274457 795268996 /nfs/dbraw/zinc/26/89/96/795268996.db2.gz FJOCSJCPOIVTMM-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440144 795459322 /nfs/dbraw/zinc/45/93/22/795459322.db2.gz MAOZPJGZXGMMCK-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440144 795459326 /nfs/dbraw/zinc/45/93/26/795459326.db2.gz MAOZPJGZXGMMCK-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440144 795459329 /nfs/dbraw/zinc/45/93/29/795459329.db2.gz MAOZPJGZXGMMCK-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736188 795536430 /nfs/dbraw/zinc/53/64/30/795536430.db2.gz JGYDWTNJECQWPL-CRAIPNDOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260886 795609263 /nfs/dbraw/zinc/60/92/63/795609263.db2.gz KZFYLQYCTFYZPE-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294542 795613117 /nfs/dbraw/zinc/61/31/17/795613117.db2.gz CAMPORBNOFGBPD-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001183076031 795796058 /nfs/dbraw/zinc/79/60/58/795796058.db2.gz NTIQEBJPQHLWIF-INIZCTEOSA-N 2 1 315.417 2.022 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576547 795925909 /nfs/dbraw/zinc/92/59/09/795925909.db2.gz FXIQACKLGOWPDD-ZIAGYGMSSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810126 796130944 /nfs/dbraw/zinc/13/09/44/796130944.db2.gz KUBWYLAQNLEZJY-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171768 796202122 /nfs/dbraw/zinc/20/21/22/796202122.db2.gz XYXPPFSJBOANTN-DLBZAZTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931814 796742595 /nfs/dbraw/zinc/74/25/95/796742595.db2.gz KFQLRNYCHPGCLY-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931814 796742596 /nfs/dbraw/zinc/74/25/96/796742596.db2.gz KFQLRNYCHPGCLY-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188931814 796742599 /nfs/dbraw/zinc/74/25/99/796742599.db2.gz KFQLRNYCHPGCLY-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646139 797047415 /nfs/dbraw/zinc/04/74/15/797047415.db2.gz XWRBNEPWLXAMIV-HZPDHXFCSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400617 797335364 /nfs/dbraw/zinc/33/53/64/797335364.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153400617 797335369 /nfs/dbraw/zinc/33/53/69/797335369.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153400617 797335373 /nfs/dbraw/zinc/33/53/73/797335373.db2.gz QPEMNAFVYQNLJR-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293295 797356037 /nfs/dbraw/zinc/35/60/37/797356037.db2.gz HMHOGTQXOUWBBZ-HUUCEWRRSA-N 2 1 316.449 2.329 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156307065 797971080 /nfs/dbraw/zinc/97/10/80/797971080.db2.gz ZKYIQHQZYSSDON-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156307065 797971084 /nfs/dbraw/zinc/97/10/84/797971084.db2.gz ZKYIQHQZYSSDON-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156307065 797971090 /nfs/dbraw/zinc/97/10/90/797971090.db2.gz ZKYIQHQZYSSDON-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641951 798081862 /nfs/dbraw/zinc/08/18/62/798081862.db2.gz VDNRHZYLKRLRHR-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098132 798280075 /nfs/dbraw/zinc/28/00/75/798280075.db2.gz ORWKWLIQLNWFGU-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198251008 798304824 /nfs/dbraw/zinc/30/48/24/798304824.db2.gz ACXYNMXPVMYORI-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951357 798311948 /nfs/dbraw/zinc/31/19/48/798311948.db2.gz WJPWVGVSQXBSQI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951357 798311955 /nfs/dbraw/zinc/31/19/55/798311955.db2.gz WJPWVGVSQXBSQI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951357 798311965 /nfs/dbraw/zinc/31/19/65/798311965.db2.gz WJPWVGVSQXBSQI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158418871 798404449 /nfs/dbraw/zinc/40/44/49/798404449.db2.gz BYXYBWQWDOJEFU-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158559646 798428743 /nfs/dbraw/zinc/42/87/43/798428743.db2.gz JOKWNGIRZSFHCG-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001158631416 798440579 /nfs/dbraw/zinc/44/05/79/798440579.db2.gz PBSVFHRGGXUEGY-GOSISDBHSA-N 2 1 321.509 2.445 20 30 DEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158631416 798440583 /nfs/dbraw/zinc/44/05/83/798440583.db2.gz PBSVFHRGGXUEGY-GOSISDBHSA-N 2 1 321.509 2.445 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158631416 798440586 /nfs/dbraw/zinc/44/05/86/798440586.db2.gz PBSVFHRGGXUEGY-GOSISDBHSA-N 2 1 321.509 2.445 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676650 798721016 /nfs/dbraw/zinc/72/10/16/798721016.db2.gz DJWWPXKSMZJATC-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676650 798721018 /nfs/dbraw/zinc/72/10/18/798721018.db2.gz DJWWPXKSMZJATC-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008473 798778482 /nfs/dbraw/zinc/77/84/82/798778482.db2.gz OKTGLSRFSCBXFS-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008473 798778487 /nfs/dbraw/zinc/77/84/87/798778487.db2.gz OKTGLSRFSCBXFS-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008473 798778490 /nfs/dbraw/zinc/77/84/90/798778490.db2.gz OKTGLSRFSCBXFS-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP CCCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001201787724 798802026 /nfs/dbraw/zinc/80/20/26/798802026.db2.gz ITEYRLPJFXHSEU-UHFFFAOYSA-N 2 1 309.498 2.443 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161238876 798814949 /nfs/dbraw/zinc/81/49/49/798814949.db2.gz BJUDBMJWBYQWBJ-KRWDZBQOSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577334 798849529 /nfs/dbraw/zinc/84/95/29/798849529.db2.gz DGAWZAMCEFVWOV-JJXSEGSLSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110577334 798849536 /nfs/dbraw/zinc/84/95/36/798849536.db2.gz DGAWZAMCEFVWOV-JJXSEGSLSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699553 798915007 /nfs/dbraw/zinc/91/50/07/798915007.db2.gz UGNIEHAAOGOFFJ-QZTJIDSGSA-N 2 1 319.493 2.431 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924471 798968654 /nfs/dbraw/zinc/96/86/54/798968654.db2.gz DNEGJFWWAWABLN-IAGOWNOFSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161938904 798972909 /nfs/dbraw/zinc/97/29/09/798972909.db2.gz ZRSBMFUJVUOUJH-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202495987 798985491 /nfs/dbraw/zinc/98/54/91/798985491.db2.gz LWSIHAWKMMXABN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163006272 799221467 /nfs/dbraw/zinc/22/14/67/799221467.db2.gz BNCIKIBPXCUUNF-UHFFFAOYSA-N 2 1 317.477 2.174 20 30 DEEDMP Cc1cc(CC#N)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164213102 799540379 /nfs/dbraw/zinc/54/03/79/799540379.db2.gz OKECSJPXNMYNTA-UHFFFAOYSA-N 2 1 300.450 2.499 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525406 799647890 /nfs/dbraw/zinc/64/78/90/799647890.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525406 799647893 /nfs/dbraw/zinc/64/78/93/799647893.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525406 799647897 /nfs/dbraw/zinc/64/78/97/799647897.db2.gz PDZXRIOXUUDDGK-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202712 799842966 /nfs/dbraw/zinc/84/29/66/799842966.db2.gz YCMWIJDSOSGXTE-HNNXBMFYSA-N 2 1 318.465 2.422 20 30 DEEDMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613069 800138247 /nfs/dbraw/zinc/13/82/47/800138247.db2.gz UTOMPAONESDURV-LJQANCHMSA-N 2 1 315.461 2.439 20 30 DEEDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613069 800138251 /nfs/dbraw/zinc/13/82/51/800138251.db2.gz UTOMPAONESDURV-LJQANCHMSA-N 2 1 315.461 2.439 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420443 800355026 /nfs/dbraw/zinc/35/50/26/800355026.db2.gz UPXHIODICWMJMS-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206302155 800505280 /nfs/dbraw/zinc/50/52/80/800505280.db2.gz UIMPKSHBQKCYOI-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396026 800743600 /nfs/dbraw/zinc/74/36/00/800743600.db2.gz AQADEDKQIILFQN-OALUTQOASA-N 2 1 322.493 2.402 20 30 DEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161317 800854848 /nfs/dbraw/zinc/85/48/48/800854848.db2.gz BIKNWRZNEHSTBZ-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161317 800854852 /nfs/dbraw/zinc/85/48/52/800854852.db2.gz BIKNWRZNEHSTBZ-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161317 800854860 /nfs/dbraw/zinc/85/48/60/800854860.db2.gz BIKNWRZNEHSTBZ-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179352 800861973 /nfs/dbraw/zinc/86/19/73/800861973.db2.gz DGPPOODBSGTLFV-KURKYZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279211 800945075 /nfs/dbraw/zinc/94/50/75/800945075.db2.gz KSSZFRNZBZBCLT-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340994 800960034 /nfs/dbraw/zinc/96/00/34/800960034.db2.gz SPPJILYYDHGLJY-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208861137 801081248 /nfs/dbraw/zinc/08/12/48/801081248.db2.gz DESXMSZKUQEMDE-RBUKOAKNSA-N 2 1 313.445 2.143 20 30 DEEDMP CC[N@H+]1CCO[C@@H]2C[NH+](CCCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208861137 801081253 /nfs/dbraw/zinc/08/12/53/801081253.db2.gz DESXMSZKUQEMDE-RBUKOAKNSA-N 2 1 313.445 2.143 20 30 DEEDMP CC[NH+]1CCO[C@@H]2C[N@H+](CCCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208861137 801081256 /nfs/dbraw/zinc/08/12/56/801081256.db2.gz DESXMSZKUQEMDE-RBUKOAKNSA-N 2 1 313.445 2.143 20 30 DEEDMP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001208861137 801081262 /nfs/dbraw/zinc/08/12/62/801081262.db2.gz DESXMSZKUQEMDE-RBUKOAKNSA-N 2 1 313.445 2.143 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229693173 801306139 /nfs/dbraw/zinc/30/61/39/801306139.db2.gz OJKJHBSNGZOSKF-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183934 801348416 /nfs/dbraw/zinc/34/84/16/801348416.db2.gz UVHQZUMDYQICOR-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330037 801378330 /nfs/dbraw/zinc/37/83/30/801378330.db2.gz MAXIELLFMRWQOQ-IAGOWNOFSA-N 2 1 321.509 2.489 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610462 801435437 /nfs/dbraw/zinc/43/54/37/801435437.db2.gz BNTNZCDEWAMWOY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038847 801503361 /nfs/dbraw/zinc/50/33/61/801503361.db2.gz NBSNNWZLCXIDSI-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211038847 801503366 /nfs/dbraw/zinc/50/33/66/801503366.db2.gz NBSNNWZLCXIDSI-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216348810 801965090 /nfs/dbraw/zinc/96/50/90/801965090.db2.gz OOPDCHRZTUAFNI-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811877 802618073 /nfs/dbraw/zinc/61/80/73/802618073.db2.gz NFGUNEGVRJRDQX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505654 802796427 /nfs/dbraw/zinc/79/64/27/802796427.db2.gz LWDKXPUROUCQIE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505654 802796433 /nfs/dbraw/zinc/79/64/33/802796433.db2.gz LWDKXPUROUCQIE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001223505654 802796437 /nfs/dbraw/zinc/79/64/37/802796437.db2.gz LWDKXPUROUCQIE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223727233 802811751 /nfs/dbraw/zinc/81/17/51/802811751.db2.gz XWNNPBSEMHMYFS-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464161 803243746 /nfs/dbraw/zinc/24/37/46/803243746.db2.gz DXYYFLTUJACSPW-OAHLLOKOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602257 803379866 /nfs/dbraw/zinc/37/98/66/803379866.db2.gz FXGCSUKXBWMEAG-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001330900419 1149328544 /nfs/dbraw/zinc/32/85/44/1149328544.db2.gz OJBDRMBDLRJRQE-IRXDYDNUSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[NH2+]CCC[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001331178035 1149393474 /nfs/dbraw/zinc/39/34/74/1149393474.db2.gz ZOISWOBYLBGTOO-GOSISDBHSA-N 2 1 324.428 2.052 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500547102 1058916951 /nfs/dbraw/zinc/91/69/51/1058916951.db2.gz ODKHAIVPFBGWPM-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500547102 1058916975 /nfs/dbraw/zinc/91/69/75/1058916975.db2.gz ODKHAIVPFBGWPM-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500547102 1058916996 /nfs/dbraw/zinc/91/69/96/1058916996.db2.gz ODKHAIVPFBGWPM-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP CC[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001474617240 1060905155 /nfs/dbraw/zinc/90/51/55/1060905155.db2.gz ZXOVOBCRGSIOKV-SFHVURJKSA-N 2 1 301.434 2.255 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505845544 1061026879 /nfs/dbraw/zinc/02/68/79/1061026879.db2.gz RLRICQDUKMVELI-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001479572745 1061509219 /nfs/dbraw/zinc/50/92/19/1061509219.db2.gz QTYIJUMGIHHVGV-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001506543090 1062109870 /nfs/dbraw/zinc/10/98/70/1062109870.db2.gz PSHIEWDBKGMHIN-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001506888238 1062473767 /nfs/dbraw/zinc/47/37/67/1062473767.db2.gz XGTSRXKSQXJZRI-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386480 1062769653 /nfs/dbraw/zinc/76/96/53/1062769653.db2.gz JHKZJTZMUKZOCW-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001507145126 1062913274 /nfs/dbraw/zinc/91/32/74/1062913274.db2.gz WZDZTIWZJAYYKC-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507961243 1063479142 /nfs/dbraw/zinc/47/91/42/1063479142.db2.gz IJHASMIEKYTSGO-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001494082459 1064118209 /nfs/dbraw/zinc/11/82/09/1064118209.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494082459 1064118219 /nfs/dbraw/zinc/11/82/19/1064118219.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494082459 1064118224 /nfs/dbraw/zinc/11/82/24/1064118224.db2.gz GXUGNTMIVXCBAV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136428 1064135875 /nfs/dbraw/zinc/13/58/75/1064135875.db2.gz DDAYKLLONRBFHB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494136428 1064135876 /nfs/dbraw/zinc/13/58/76/1064135876.db2.gz DDAYKLLONRBFHB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494136428 1064135880 /nfs/dbraw/zinc/13/58/80/1064135880.db2.gz DDAYKLLONRBFHB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001494205179 1064173454 /nfs/dbraw/zinc/17/34/54/1064173454.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001494205179 1064173461 /nfs/dbraw/zinc/17/34/61/1064173461.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001494205179 1064173465 /nfs/dbraw/zinc/17/34/65/1064173465.db2.gz ARECGSWNFIHDFZ-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001567666130 1064329328 /nfs/dbraw/zinc/32/93/28/1064329328.db2.gz SOLKKBXECMTPHH-ZWKOTPCHSA-N 2 1 315.461 2.351 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567712949 1064369898 /nfs/dbraw/zinc/36/98/98/1064369898.db2.gz SDLVCTPRTNIKFP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567712949 1064369909 /nfs/dbraw/zinc/36/99/09/1064369909.db2.gz SDLVCTPRTNIKFP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567712949 1064369922 /nfs/dbraw/zinc/36/99/22/1064369922.db2.gz SDLVCTPRTNIKFP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567729503 1064382176 /nfs/dbraw/zinc/38/21/76/1064382176.db2.gz IGGDNRUTPCGXOG-HZPDHXFCSA-N 2 1 313.461 2.023 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567738717 1064389508 /nfs/dbraw/zinc/38/95/08/1064389508.db2.gz IFHLNXGSJWSVCR-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567738717 1064389521 /nfs/dbraw/zinc/38/95/21/1064389521.db2.gz IFHLNXGSJWSVCR-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001567818540 1064440286 /nfs/dbraw/zinc/44/02/86/1064440286.db2.gz MNFHDMAXDSTNMD-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001567998349 1064585807 /nfs/dbraw/zinc/58/58/07/1064585807.db2.gz JCQYVGHPMLIXMM-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+]C[C@@](C)(NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001568024544 1064603191 /nfs/dbraw/zinc/60/31/91/1064603191.db2.gz DPOLGHDRWPAABI-LJQANCHMSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001568126079 1064660072 /nfs/dbraw/zinc/66/00/72/1064660072.db2.gz OYOMHNKOOMQBQR-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001568253084 1064729723 /nfs/dbraw/zinc/72/97/23/1064729723.db2.gz XIOKAKWGSWSWFK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387356 1064829119 /nfs/dbraw/zinc/82/91/19/1064829119.db2.gz VBWNNFBYKRFQSC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001568438362 1064872568 /nfs/dbraw/zinc/87/25/68/1064872568.db2.gz DZYPOMXZWJLYDP-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632514 1065008804 /nfs/dbraw/zinc/00/88/04/1065008804.db2.gz MFVMDXHUHSDRGR-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001496327420 1065409254 /nfs/dbraw/zinc/40/92/54/1065409254.db2.gz TZMHOQHKIGUMRL-MRXNPFEDSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001569321524 1065427765 /nfs/dbraw/zinc/42/77/65/1065427765.db2.gz QMCFXTKFPDPZTM-IRXDYDNUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001569480477 1065531339 /nfs/dbraw/zinc/53/13/39/1065531339.db2.gz ATPRNGAWDDZAFO-SFHVURJKSA-N 2 1 316.449 2.151 20 30 DEEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569715731 1065687024 /nfs/dbraw/zinc/68/70/24/1065687024.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569715731 1065687029 /nfs/dbraw/zinc/68/70/29/1065687029.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569715731 1065687035 /nfs/dbraw/zinc/68/70/35/1065687035.db2.gz QCYNQOVRKYEKKH-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001570275378 1065999874 /nfs/dbraw/zinc/99/98/74/1065999874.db2.gz VRGFRQKIYNWNED-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309152 1148520508 /nfs/dbraw/zinc/52/05/08/1148520508.db2.gz UJFMJVWMICSRDM-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC001499835049 1067354238 /nfs/dbraw/zinc/35/42/38/1067354238.db2.gz LOINPVQEVAFUIQ-CABCVRRESA-N 2 1 304.438 2.278 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001570932121 1068162424 /nfs/dbraw/zinc/16/24/24/1068162424.db2.gz PCAHPFZOIFTQCN-XLAORIBOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001570932121 1068162430 /nfs/dbraw/zinc/16/24/30/1068162430.db2.gz PCAHPFZOIFTQCN-XLAORIBOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001570932121 1068162433 /nfs/dbraw/zinc/16/24/33/1068162433.db2.gz PCAHPFZOIFTQCN-XLAORIBOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469391 1068321969 /nfs/dbraw/zinc/32/19/69/1068321969.db2.gz PBTTUKMGDQCNAA-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469391 1068321981 /nfs/dbraw/zinc/32/19/81/1068321981.db2.gz PBTTUKMGDQCNAA-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001571526332 1068396815 /nfs/dbraw/zinc/39/68/15/1068396815.db2.gz FGMQYDVOZJZFDR-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001571539773 1068407503 /nfs/dbraw/zinc/40/75/03/1068407503.db2.gz GBVBLDHEDZCEKM-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001329240021 1148877425 /nfs/dbraw/zinc/87/74/25/1148877425.db2.gz DBMSYRIZLOUFFG-UHFFFAOYSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267466865 1078879798 /nfs/dbraw/zinc/87/97/98/1078879798.db2.gz SEZISVNFBJYENC-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267466865 1078879809 /nfs/dbraw/zinc/87/98/09/1078879809.db2.gz SEZISVNFBJYENC-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267466865 1078879828 /nfs/dbraw/zinc/87/98/28/1078879828.db2.gz SEZISVNFBJYENC-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267564637 1078997963 /nfs/dbraw/zinc/99/79/63/1078997963.db2.gz UGLHDVCIYXADQU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267564637 1078997970 /nfs/dbraw/zinc/99/79/70/1078997970.db2.gz UGLHDVCIYXADQU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267564637 1078997976 /nfs/dbraw/zinc/99/79/76/1078997976.db2.gz UGLHDVCIYXADQU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001329334906 1148885327 /nfs/dbraw/zinc/88/53/27/1148885327.db2.gz GGSUJKZIKPWZMK-UHFFFAOYSA-N 2 1 309.498 2.062 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481112764 1079196793 /nfs/dbraw/zinc/19/67/93/1079196793.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481112764 1079196796 /nfs/dbraw/zinc/19/67/96/1079196796.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481112764 1079196797 /nfs/dbraw/zinc/19/67/97/1079196797.db2.gz RYUFLZXMNOSOPB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001484014529 1079243373 /nfs/dbraw/zinc/24/33/73/1079243373.db2.gz OBWXIHMLCJPJDY-HNNXBMFYSA-N 2 1 315.889 2.344 20 30 DEEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001484100836 1079303126 /nfs/dbraw/zinc/30/31/26/1079303126.db2.gz OXNPOADZCJJURJ-IBGZPJMESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484107165 1079306581 /nfs/dbraw/zinc/30/65/81/1079306581.db2.gz JEUORDAWGIUVSF-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484122043 1079312511 /nfs/dbraw/zinc/31/25/11/1079312511.db2.gz OSXIDLOQXYOBHZ-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942707 1075209094 /nfs/dbraw/zinc/20/90/94/1075209094.db2.gz DKHPPYNCNBJXOC-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001566623003 1075299597 /nfs/dbraw/zinc/29/95/97/1075299597.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001566623003 1075299602 /nfs/dbraw/zinc/29/96/02/1075299602.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001566623003 1075299605 /nfs/dbraw/zinc/29/96/05/1075299605.db2.gz FMQLYIZYLOEFHK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001566791699 1075346416 /nfs/dbraw/zinc/34/64/16/1075346416.db2.gz NACJWDPFAYITBD-QUSNUVHPSA-N 2 1 307.482 2.308 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001566930467 1075390326 /nfs/dbraw/zinc/39/03/26/1075390326.db2.gz XLTBTCDDEGGTIS-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001566930467 1075390332 /nfs/dbraw/zinc/39/03/32/1075390332.db2.gz XLTBTCDDEGGTIS-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962885 1075401624 /nfs/dbraw/zinc/40/16/24/1075401624.db2.gz MWKHDHSDMCFDHE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567203229 1075463326 /nfs/dbraw/zinc/46/33/26/1075463326.db2.gz PVNILZCFNVRIPV-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001295 1079682864 /nfs/dbraw/zinc/68/28/64/1079682864.db2.gz PVGVKKZSQGVFCM-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484616363 1079688159 /nfs/dbraw/zinc/68/81/59/1079688159.db2.gz NOQZTPQTXVGUTO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485033402 1079929717 /nfs/dbraw/zinc/92/97/17/1079929717.db2.gz GFTRPBMQBQWEFX-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500152 1079959292 /nfs/dbraw/zinc/95/92/92/1079959292.db2.gz CXBGYJVDCFWHAX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481500152 1079959296 /nfs/dbraw/zinc/95/92/96/1079959296.db2.gz CXBGYJVDCFWHAX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481500152 1079959302 /nfs/dbraw/zinc/95/93/02/1079959302.db2.gz CXBGYJVDCFWHAX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001485081990 1079971096 /nfs/dbraw/zinc/97/10/96/1079971096.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001485081990 1079971099 /nfs/dbraw/zinc/97/10/99/1079971099.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001485081990 1079971102 /nfs/dbraw/zinc/97/11/02/1079971102.db2.gz AAMBCAGDBZNPFK-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001656219566 1080068499 /nfs/dbraw/zinc/06/84/99/1080068499.db2.gz UAQDWUKPXFEKDQ-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001485238969 1080089442 /nfs/dbraw/zinc/08/94/42/1080089442.db2.gz UPMATCOMPZFLQO-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268283059 1080262119 /nfs/dbraw/zinc/26/21/19/1080262119.db2.gz UULGINAQZODAMZ-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001485666583 1080355306 /nfs/dbraw/zinc/35/53/06/1080355306.db2.gz POIVYJVQFVUYSW-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001485666583 1080355313 /nfs/dbraw/zinc/35/53/13/1080355313.db2.gz POIVYJVQFVUYSW-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001485666583 1080355323 /nfs/dbraw/zinc/35/53/23/1080355323.db2.gz POIVYJVQFVUYSW-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660822041 1080403650 /nfs/dbraw/zinc/40/36/50/1080403650.db2.gz BQHAPMXMUCCUFW-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660822041 1080403652 /nfs/dbraw/zinc/40/36/52/1080403652.db2.gz BQHAPMXMUCCUFW-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001279328930 1080456881 /nfs/dbraw/zinc/45/68/81/1080456881.db2.gz MYKNBNLIPIQUCQ-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661216135 1080457703 /nfs/dbraw/zinc/45/77/03/1080457703.db2.gz KBTSNAONMAUWAC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661216135 1080457707 /nfs/dbraw/zinc/45/77/07/1080457707.db2.gz KBTSNAONMAUWAC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661216135 1080457710 /nfs/dbraw/zinc/45/77/10/1080457710.db2.gz KBTSNAONMAUWAC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001485815569 1080496410 /nfs/dbraw/zinc/49/64/10/1080496410.db2.gz LYZYXTBNSPCLGG-DLBZAZTESA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783666 1080503014 /nfs/dbraw/zinc/50/30/14/1080503014.db2.gz YFHVNNZDOQAPRC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662690653 1080635142 /nfs/dbraw/zinc/63/51/42/1080635142.db2.gz JDBGCINLUQAZSI-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001482010766 1080685900 /nfs/dbraw/zinc/68/59/00/1080685900.db2.gz VXIFKUSLTLSZBQ-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001482018258 1080691421 /nfs/dbraw/zinc/69/14/21/1080691421.db2.gz NHVHGKFRNMCKMH-XSLAGTTESA-N 2 1 317.477 2.044 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001663067804 1080695220 /nfs/dbraw/zinc/69/52/20/1080695220.db2.gz XRLXYBCFLKWKNY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663067804 1080695226 /nfs/dbraw/zinc/69/52/26/1080695226.db2.gz XRLXYBCFLKWKNY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663067804 1080695230 /nfs/dbraw/zinc/69/52/30/1080695230.db2.gz XRLXYBCFLKWKNY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001663498117 1080759648 /nfs/dbraw/zinc/75/96/48/1080759648.db2.gz OMTSBVGPHCCUKQ-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001663498117 1080759657 /nfs/dbraw/zinc/75/96/57/1080759657.db2.gz OMTSBVGPHCCUKQ-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001664548121 1080925821 /nfs/dbraw/zinc/92/58/21/1080925821.db2.gz GCQOXCBDGAUVCV-UHFFFAOYSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664597672 1080930426 /nfs/dbraw/zinc/93/04/26/1080930426.db2.gz BZCIAWKTJNCHQP-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001666275232 1081139334 /nfs/dbraw/zinc/13/93/34/1081139334.db2.gz RCQQIDBMOYWSKU-VQHPVUNQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001667488570 1081257965 /nfs/dbraw/zinc/25/79/65/1081257965.db2.gz JIUIRXSNBSHVMG-ULQDDVLXSA-N 2 1 309.498 2.413 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001667498153 1081258364 /nfs/dbraw/zinc/25/83/64/1081258364.db2.gz IORSDEWXCSBIGJ-IRXDYDNUSA-N 2 1 307.482 2.003 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001667669620 1081272443 /nfs/dbraw/zinc/27/24/43/1081272443.db2.gz XIHVZQAGRQQYJX-QGZVFWFLSA-N 2 1 319.493 2.077 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667692798 1081275438 /nfs/dbraw/zinc/27/54/38/1081275438.db2.gz CPXWEYUBIWSQKO-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH+](CCNC(=O)CC[N@H+](C)CC)C1CCCCCC1 ZINC001269616284 1081308253 /nfs/dbraw/zinc/30/82/53/1081308253.db2.gz KBCIHICEHNGWOI-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)CC[NH+](C)CC)C1CCCCCC1 ZINC001269616284 1081308258 /nfs/dbraw/zinc/30/82/58/1081308258.db2.gz KBCIHICEHNGWOI-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)CC[NH+](C)CC)C1CCCCCC1 ZINC001269616284 1081308262 /nfs/dbraw/zinc/30/82/62/1081308262.db2.gz KBCIHICEHNGWOI-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000950886993 1081435160 /nfs/dbraw/zinc/43/51/60/1081435160.db2.gz YFGXKYLFCLWPHN-UHFFFAOYSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001669710553 1081463780 /nfs/dbraw/zinc/46/37/80/1081463780.db2.gz CGDFUQKQBKMXRG-RDJZCZTQSA-N 2 1 303.450 2.350 20 30 DEEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001270295968 1081496244 /nfs/dbraw/zinc/49/62/44/1081496244.db2.gz INPVCMBWINJIBZ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671887335 1081546729 /nfs/dbraw/zinc/54/67/29/1081546729.db2.gz NAZYJOCEKUDKET-MJGOQNOKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671900589 1081547199 /nfs/dbraw/zinc/54/71/99/1081547199.db2.gz CTKBDJGKFABZRO-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538029 1081610744 /nfs/dbraw/zinc/61/07/44/1081610744.db2.gz MMCKEDWMMSUOIC-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444508 1081714728 /nfs/dbraw/zinc/71/47/28/1081714728.db2.gz UKRPIEYMFGWDNJ-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC000952444508 1081714734 /nfs/dbraw/zinc/71/47/34/1081714734.db2.gz UKRPIEYMFGWDNJ-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444508 1081714740 /nfs/dbraw/zinc/71/47/40/1081714740.db2.gz UKRPIEYMFGWDNJ-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499218 1081883966 /nfs/dbraw/zinc/88/39/66/1081883966.db2.gz FOICPXIKRUGCHC-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266247342 1081914865 /nfs/dbraw/zinc/91/48/65/1081914865.db2.gz IXVUWPWUHBYKSU-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362034 1081999984 /nfs/dbraw/zinc/99/99/84/1081999984.db2.gz XCGRPYGABYJSQL-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362034 1081999992 /nfs/dbraw/zinc/99/99/92/1081999992.db2.gz XCGRPYGABYJSQL-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266465923 1082054437 /nfs/dbraw/zinc/05/44/37/1082054437.db2.gz FSJCTLGKWILQMR-KRWDZBQOSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001271772606 1082150491 /nfs/dbraw/zinc/15/04/91/1082150491.db2.gz RXEPSKPBQSPYPT-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001271772606 1082150494 /nfs/dbraw/zinc/15/04/94/1082150494.db2.gz RXEPSKPBQSPYPT-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001271772606 1082150496 /nfs/dbraw/zinc/15/04/96/1082150496.db2.gz RXEPSKPBQSPYPT-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001271779274 1082152777 /nfs/dbraw/zinc/15/27/77/1082152777.db2.gz VNPHYWMEZUCRGY-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001670595685 1082191369 /nfs/dbraw/zinc/19/13/69/1082191369.db2.gz OMRZSDNQDTWETJ-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266884060 1082428046 /nfs/dbraw/zinc/42/80/46/1082428046.db2.gz KOHTUJJTALWJHQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283297350 1082469500 /nfs/dbraw/zinc/46/95/00/1082469500.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001283297350 1082469506 /nfs/dbraw/zinc/46/95/06/1082469506.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001283297350 1082469510 /nfs/dbraw/zinc/46/95/10/1082469510.db2.gz XZTLMYSIBMIIOA-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546524 1083473964 /nfs/dbraw/zinc/47/39/64/1083473964.db2.gz GMESPFWCSHYGID-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001277274344 1083886990 /nfs/dbraw/zinc/88/69/90/1083886990.db2.gz KTQBFOCGWFWSPE-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339363 1083947736 /nfs/dbraw/zinc/94/77/36/1083947736.db2.gz HTLBMCCXQGPXRK-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339363 1083947742 /nfs/dbraw/zinc/94/77/42/1083947742.db2.gz HTLBMCCXQGPXRK-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937459 1084387980 /nfs/dbraw/zinc/38/79/80/1084387980.db2.gz FCNCTDVRAJSVBM-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](CCCC[NH3+])CC2 ZINC001235492944 1084444810 /nfs/dbraw/zinc/44/48/10/1084444810.db2.gz JQVKVDUGIIGUOO-UHFFFAOYSA-N 2 1 318.465 2.093 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001486147972 1085092562 /nfs/dbraw/zinc/09/25/62/1085092562.db2.gz OFDYWSJXZKHBFK-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001486147972 1085092566 /nfs/dbraw/zinc/09/25/66/1085092566.db2.gz OFDYWSJXZKHBFK-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001486373844 1085246712 /nfs/dbraw/zinc/24/67/12/1085246712.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C(C)C ZINC001486373844 1085246714 /nfs/dbraw/zinc/24/67/14/1085246714.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+](CCC)C1)C(C)C ZINC001486373844 1085246718 /nfs/dbraw/zinc/24/67/18/1085246718.db2.gz FKAASADPTFQZAQ-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959876567 1089812619 /nfs/dbraw/zinc/81/26/19/1089812619.db2.gz QFJYJJRLOPOWNC-FVQHAEBGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853207 1090476563 /nfs/dbraw/zinc/47/65/63/1090476563.db2.gz VPPBSVUUQJJPHB-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938954 1090530764 /nfs/dbraw/zinc/53/07/64/1090530764.db2.gz MKZQRZIVVZLASU-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001274894148 1091466222 /nfs/dbraw/zinc/46/62/22/1091466222.db2.gz HGZHYHZQFIVFNA-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCCC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001274973895 1091497586 /nfs/dbraw/zinc/49/75/86/1091497586.db2.gz DVTAZAHQDJBNOE-QGZVFWFLSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275081573 1091543969 /nfs/dbraw/zinc/54/39/69/1091543969.db2.gz WNIOOMHIDIOJHI-IEBWSBKVSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCCC ZINC001275115207 1091566324 /nfs/dbraw/zinc/56/63/24/1091566324.db2.gz MWPNKDAGWXTEDP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCCC ZINC001275115207 1091566328 /nfs/dbraw/zinc/56/63/28/1091566328.db2.gz MWPNKDAGWXTEDP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCCC ZINC001275115207 1091566337 /nfs/dbraw/zinc/56/63/37/1091566337.db2.gz MWPNKDAGWXTEDP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCCC ZINC001275115207 1091566341 /nfs/dbraw/zinc/56/63/41/1091566341.db2.gz MWPNKDAGWXTEDP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)CC ZINC001275684556 1091999624 /nfs/dbraw/zinc/99/96/24/1091999624.db2.gz CZHGTVCFUOGCLG-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)CC ZINC001275684556 1091999630 /nfs/dbraw/zinc/99/96/30/1091999630.db2.gz CZHGTVCFUOGCLG-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826730 1092237648 /nfs/dbraw/zinc/23/76/48/1092237648.db2.gz GKHYSOMJEZREDQ-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826730 1092237661 /nfs/dbraw/zinc/23/76/61/1092237661.db2.gz GKHYSOMJEZREDQ-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001489325455 1093021888 /nfs/dbraw/zinc/02/18/88/1093021888.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001489325455 1093021892 /nfs/dbraw/zinc/02/18/92/1093021892.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001489325455 1093021899 /nfs/dbraw/zinc/02/18/99/1093021899.db2.gz FWYCPHVKFXAFEY-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001490348733 1093295146 /nfs/dbraw/zinc/29/51/46/1093295146.db2.gz HCIOFQPATAXARJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490348733 1093295150 /nfs/dbraw/zinc/29/51/50/1093295150.db2.gz HCIOFQPATAXARJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001490348733 1093295154 /nfs/dbraw/zinc/29/51/54/1093295154.db2.gz HCIOFQPATAXARJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001490443297 1093359484 /nfs/dbraw/zinc/35/94/84/1093359484.db2.gz YPANJADPWKNASK-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001490443297 1093359493 /nfs/dbraw/zinc/35/94/93/1093359493.db2.gz YPANJADPWKNASK-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001490443297 1093359503 /nfs/dbraw/zinc/35/95/03/1093359503.db2.gz YPANJADPWKNASK-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCC(N(CCC)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001490617517 1093448613 /nfs/dbraw/zinc/44/86/13/1093448613.db2.gz OWQQIGMOASBNLS-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490772716 1093521269 /nfs/dbraw/zinc/52/12/69/1093521269.db2.gz QTCCXLCBLLZVMH-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111333 1093803192 /nfs/dbraw/zinc/80/31/92/1093803192.db2.gz WCLLQRGFGZMUAJ-SFHVURJKSA-N 2 1 310.401 2.087 20 30 DEEDMP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](CCC)CC1 ZINC001278184543 1138820291 /nfs/dbraw/zinc/82/02/91/1138820291.db2.gz OANZJLGUFWYBNC-UHFFFAOYSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318852599 1140437022 /nfs/dbraw/zinc/43/70/22/1140437022.db2.gz XHELIJBOLBEJCO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001318996162 1140487723 /nfs/dbraw/zinc/48/77/23/1140487723.db2.gz OKJUQYFPCZBITC-QGZVFWFLSA-N 2 1 301.434 2.063 20 30 DEEDMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001319008340 1140489731 /nfs/dbraw/zinc/48/97/31/1140489731.db2.gz BGRMTVQBTNTWJV-GOSISDBHSA-N 2 1 315.461 2.310 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001319375478 1140558589 /nfs/dbraw/zinc/55/85/89/1140558589.db2.gz YXXGOLBUJSHDTC-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246732803 1141046738 /nfs/dbraw/zinc/04/67/38/1141046738.db2.gz IBHJCGCOGDGJTP-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246732803 1141046747 /nfs/dbraw/zinc/04/67/47/1141046747.db2.gz IBHJCGCOGDGJTP-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246857340 1141092008 /nfs/dbraw/zinc/09/20/08/1141092008.db2.gz GZOATBGAHCDJDN-INIZCTEOSA-N 2 1 318.852 2.150 20 30 DEEDMP N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246857340 1141092020 /nfs/dbraw/zinc/09/20/20/1141092020.db2.gz GZOATBGAHCDJDN-INIZCTEOSA-N 2 1 318.852 2.150 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001323460504 1141855707 /nfs/dbraw/zinc/85/57/07/1141855707.db2.gz XOSRQLFVLIFTGI-MRXNPFEDSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001323704619 1141878289 /nfs/dbraw/zinc/87/82/89/1141878289.db2.gz GMNSRDZQGXQRMK-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001324097488 1142006277 /nfs/dbraw/zinc/00/62/77/1142006277.db2.gz JZTIMNXASRRETC-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001324340194 1142058507 /nfs/dbraw/zinc/05/85/07/1142058507.db2.gz QWBCBRICLILLJA-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001252130814 1142651737 /nfs/dbraw/zinc/65/17/37/1142651737.db2.gz YLHBETGFUUQUQP-SFHVURJKSA-N 2 1 313.530 2.277 20 30 DEEDMP CC[N@H+](CCC#N)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039122 1143030887 /nfs/dbraw/zinc/03/08/87/1143030887.db2.gz ZQXSHQDKWPOUMF-UHFFFAOYSA-N 2 1 301.434 2.249 20 30 DEEDMP CC[N@@H+](CCC#N)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039122 1143030893 /nfs/dbraw/zinc/03/08/93/1143030893.db2.gz ZQXSHQDKWPOUMF-UHFFFAOYSA-N 2 1 301.434 2.249 20 30 DEEDMP C=CCOCc1nn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001255677965 1143801416 /nfs/dbraw/zinc/80/14/16/1143801416.db2.gz SBHICEHQCNMSSC-YIONKMFJSA-N 2 1 316.449 2.377 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627133 1143858414 /nfs/dbraw/zinc/85/84/14/1143858414.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627133 1143858417 /nfs/dbraw/zinc/85/84/17/1143858417.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627133 1143858418 /nfs/dbraw/zinc/85/84/18/1143858418.db2.gz ZSGYRZKXJBLRGB-VEHMJYNQSA-N 2 1 320.477 2.438 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(=C)C)C(C)(C)C ZINC001278972274 1143876167 /nfs/dbraw/zinc/87/61/67/1143876167.db2.gz BGFBMHCOSUYFBL-IRXDYDNUSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(=C)C)C(C)(C)C ZINC001278972274 1143876170 /nfs/dbraw/zinc/87/61/70/1143876170.db2.gz BGFBMHCOSUYFBL-IRXDYDNUSA-N 2 1 319.493 2.171 20 30 DEEDMP C=CCC[C@H](C)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727845 1144035465 /nfs/dbraw/zinc/03/54/65/1144035465.db2.gz JULFBIYGWIPQJB-HOTGVXAUSA-N 2 1 318.465 2.492 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001264004375 1144439952 /nfs/dbraw/zinc/43/99/52/1144439952.db2.gz WCSLCGNRIBMHQB-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCCC)C1 ZINC001265584711 1144714760 /nfs/dbraw/zinc/71/47/60/1144714760.db2.gz SWMYMABBJMTASC-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001265584711 1144714762 /nfs/dbraw/zinc/71/47/62/1144714762.db2.gz SWMYMABBJMTASC-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCC)C1 ZINC001265584711 1144714764 /nfs/dbraw/zinc/71/47/64/1144714764.db2.gz SWMYMABBJMTASC-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCCC)C1 ZINC001265584711 1144714765 /nfs/dbraw/zinc/71/47/65/1144714765.db2.gz SWMYMABBJMTASC-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265656104 1144723360 /nfs/dbraw/zinc/72/33/60/1144723360.db2.gz WKPHSAOHMDBCCR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656104 1144723362 /nfs/dbraw/zinc/72/33/62/1144723362.db2.gz WKPHSAOHMDBCCR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656104 1144723364 /nfs/dbraw/zinc/72/33/64/1144723364.db2.gz WKPHSAOHMDBCCR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265940276 1144764088 /nfs/dbraw/zinc/76/40/88/1144764088.db2.gz REENOCWKXQBWAH-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001266151732 1144810101 /nfs/dbraw/zinc/81/01/01/1144810101.db2.gz HOPPGLDYKPBFMB-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001279236682 1144819638 /nfs/dbraw/zinc/81/96/38/1144819638.db2.gz JFWITRSGTOLHFB-BCDXTJNWSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279630503 1144826337 /nfs/dbraw/zinc/82/63/37/1144826337.db2.gz CYFJFRPWIOMHEC-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001280449145 1144840222 /nfs/dbraw/zinc/84/02/22/1144840222.db2.gz LKLSCYARBOQCAJ-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889899 1144861552 /nfs/dbraw/zinc/86/15/52/1144861552.db2.gz RWFGWCPCJFCRJD-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC/C=C/CC)CC1 ZINC001282497412 1145080386 /nfs/dbraw/zinc/08/03/86/1145080386.db2.gz OFSORSUHFUMLFH-OZSKJFCKSA-N 2 1 319.493 2.124 20 30 DEEDMP N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658723 1145416362 /nfs/dbraw/zinc/41/63/62/1145416362.db2.gz MJHXEMOWILEUKJ-MJGOQNOKSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658723 1145416366 /nfs/dbraw/zinc/41/63/66/1145416366.db2.gz MJHXEMOWILEUKJ-MJGOQNOKSA-N 2 1 313.445 2.399 20 30 DEEDMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001365288445 1145838213 /nfs/dbraw/zinc/83/82/13/1145838213.db2.gz WOBMICAZSKBEHE-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001365288445 1145838214 /nfs/dbraw/zinc/83/82/14/1145838214.db2.gz WOBMICAZSKBEHE-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001284620161 1145880274 /nfs/dbraw/zinc/88/02/74/1145880274.db2.gz XPTMOPXEDQKINP-SJORKVTESA-N 2 1 321.509 2.252 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001316636545 1146005158 /nfs/dbraw/zinc/00/51/58/1146005158.db2.gz QWBDBFWFHODUGC-QAQDUYKDSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292274516 1146851502 /nfs/dbraw/zinc/85/15/02/1146851502.db2.gz RBBCEJYNMGLLSQ-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001316668996 1146916181 /nfs/dbraw/zinc/91/61/81/1146916181.db2.gz KVEFOGKXUFRKHH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491857456 1146922793 /nfs/dbraw/zinc/92/27/93/1146922793.db2.gz SLMUPSGFIUPJEA-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001316937918 1147574176 /nfs/dbraw/zinc/57/41/76/1147574176.db2.gz ROGDMJQSDPJVCY-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317196762 1147674457 /nfs/dbraw/zinc/67/44/57/1147674457.db2.gz XZFJWRCGXAFFQF-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317204095 1147676166 /nfs/dbraw/zinc/67/61/66/1147676166.db2.gz ATKTUXHJPYFZLA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204095 1147676168 /nfs/dbraw/zinc/67/61/68/1147676168.db2.gz ATKTUXHJPYFZLA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204095 1147676170 /nfs/dbraw/zinc/67/61/70/1147676170.db2.gz ATKTUXHJPYFZLA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317852832 1147758014 /nfs/dbraw/zinc/75/80/14/1147758014.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317852832 1147758015 /nfs/dbraw/zinc/75/80/15/1147758015.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317852832 1147758016 /nfs/dbraw/zinc/75/80/16/1147758016.db2.gz INRAPQLFXRALPG-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001317877443 1147760157 /nfs/dbraw/zinc/76/01/57/1147760157.db2.gz ZXAJBXWBPHHSTL-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001317877443 1147760159 /nfs/dbraw/zinc/76/01/59/1147760159.db2.gz ZXAJBXWBPHHSTL-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001318048355 1147766981 /nfs/dbraw/zinc/76/69/81/1147766981.db2.gz QVWBQNPLZMHTMY-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318374613 1147817306 /nfs/dbraw/zinc/81/73/06/1147817306.db2.gz UQZAJWJYDSFWNN-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318374613 1147817309 /nfs/dbraw/zinc/81/73/09/1147817309.db2.gz UQZAJWJYDSFWNN-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318377067 1147817966 /nfs/dbraw/zinc/81/79/66/1147817966.db2.gz ZZLSFPIEKIPGEZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318377067 1147817968 /nfs/dbraw/zinc/81/79/68/1147817968.db2.gz ZZLSFPIEKIPGEZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318377067 1147817971 /nfs/dbraw/zinc/81/79/71/1147817971.db2.gz ZZLSFPIEKIPGEZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318377067 1147817974 /nfs/dbraw/zinc/81/79/74/1147817974.db2.gz ZZLSFPIEKIPGEZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324943146 1147860663 /nfs/dbraw/zinc/86/06/63/1147860663.db2.gz DPTHFBPGAARGAH-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324943146 1147860665 /nfs/dbraw/zinc/86/06/65/1147860665.db2.gz DPTHFBPGAARGAH-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP CN1CC[NH+]=C1NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262689578 529778648 /nfs/dbraw/zinc/77/86/48/529778648.db2.gz ZUNIKGVHJPPTGF-IUODEOHRSA-N 2 1 324.831 2.363 20 30 DEEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595513525 358470554 /nfs/dbraw/zinc/47/05/54/358470554.db2.gz VKZFKIFRWVSKNC-UHFFFAOYSA-N 2 1 315.461 2.173 20 30 DEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238823 /nfs/dbraw/zinc/23/88/23/191238823.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238826 /nfs/dbraw/zinc/23/88/26/191238826.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858154 191238829 /nfs/dbraw/zinc/23/88/29/191238829.db2.gz GWKSDNANYYBWPN-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N[C@@H]1C[C@@H]1C ZINC000083910146 355471030 /nfs/dbraw/zinc/47/10/30/355471030.db2.gz SACUMAWELNUGBB-NWANDNLSSA-N 2 1 304.438 2.298 20 30 DEEDMP C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000589195637 357454673 /nfs/dbraw/zinc/45/46/73/357454673.db2.gz OIBXDNPXARNIKG-INIZCTEOSA-N 2 1 318.490 2.220 20 30 DEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000602634980 360469903 /nfs/dbraw/zinc/46/99/03/360469903.db2.gz VIIOUBGFDJPUST-IRXDYDNUSA-N 2 1 323.481 2.176 20 30 DEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000602634980 360469907 /nfs/dbraw/zinc/46/99/07/360469907.db2.gz VIIOUBGFDJPUST-IRXDYDNUSA-N 2 1 323.481 2.176 20 30 DEEDMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000602683296 360497246 /nfs/dbraw/zinc/49/72/46/360497246.db2.gz WOJFPRGQEZVXBC-UHFFFAOYSA-N 2 1 305.397 2.022 20 30 DEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1F)CC[NH+](C)C ZINC000289585959 221085979 /nfs/dbraw/zinc/08/59/79/221085979.db2.gz ZGRZBTQWMYHIPC-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374565141 148262435 /nfs/dbraw/zinc/26/24/35/148262435.db2.gz FGQSEYCXSNZRNA-UHFFFAOYSA-N 2 1 324.432 2.061 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000085403138 401915455 /nfs/dbraw/zinc/91/54/55/401915455.db2.gz SWOCHVZHAQPPGB-WBVHZDCISA-N 2 1 322.497 2.009 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316856 402640994 /nfs/dbraw/zinc/64/09/94/402640994.db2.gz ZUCOELMSZGDTFM-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181316856 402640996 /nfs/dbraw/zinc/64/09/96/402640996.db2.gz ZUCOELMSZGDTFM-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181316856 402640998 /nfs/dbraw/zinc/64/09/98/402640998.db2.gz ZUCOELMSZGDTFM-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCNC(=[NH+]C)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000261968755 402720631 /nfs/dbraw/zinc/72/06/31/402720631.db2.gz MDBJGAOUWMQIBF-RTBURBONSA-N 2 1 324.472 2.182 20 30 DEEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000273347894 402996513 /nfs/dbraw/zinc/99/65/13/402996513.db2.gz PEVSJFDCYHNDBU-ZDUSSCGKSA-N 2 1 306.479 2.369 20 30 DEEDMP C[N@@H+](CCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285489265 403308965 /nfs/dbraw/zinc/30/89/65/403308965.db2.gz PDWOADXQVOFQRT-UHFFFAOYSA-N 2 1 300.450 2.040 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000295052281 403744405 /nfs/dbraw/zinc/74/44/05/403744405.db2.gz QJKQURLLKDUBQE-ZDUSSCGKSA-N 2 1 309.479 2.246 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000295052281 403744409 /nfs/dbraw/zinc/74/44/09/403744409.db2.gz QJKQURLLKDUBQE-ZDUSSCGKSA-N 2 1 309.479 2.246 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000305179263 403864091 /nfs/dbraw/zinc/86/40/91/403864091.db2.gz VXPCMZROKVNCHB-DLBZAZTESA-N 2 1 319.474 2.477 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)C2 ZINC000329496140 404355571 /nfs/dbraw/zinc/35/55/71/404355571.db2.gz FWPKKGUENMBVJB-IVMMDQJWSA-N 2 1 304.438 2.439 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C2 ZINC000329496140 404355576 /nfs/dbraw/zinc/35/55/76/404355576.db2.gz FWPKKGUENMBVJB-IVMMDQJWSA-N 2 1 304.438 2.439 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000352822439 404646478 /nfs/dbraw/zinc/64/64/78/404646478.db2.gz YERBNIKRWDUKQM-KRWDZBQOSA-N 2 1 322.497 2.201 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000357109859 404728152 /nfs/dbraw/zinc/72/81/52/404728152.db2.gz XYCGQKQBSBCGNW-HOTGVXAUSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000357109859 404728156 /nfs/dbraw/zinc/72/81/56/404728156.db2.gz XYCGQKQBSBCGNW-HOTGVXAUSA-N 2 1 302.418 2.171 20 30 DEEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000358874134 404778039 /nfs/dbraw/zinc/77/80/39/404778039.db2.gz QGWCYXWHISPSEU-CALCHBBNSA-N 2 1 323.481 2.270 20 30 DEEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000358874134 404778041 /nfs/dbraw/zinc/77/80/41/404778041.db2.gz QGWCYXWHISPSEU-CALCHBBNSA-N 2 1 323.481 2.270 20 30 DEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354078566 405033630 /nfs/dbraw/zinc/03/36/30/405033630.db2.gz USCRWCKNRHOTMQ-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354078566 405033635 /nfs/dbraw/zinc/03/36/35/405033635.db2.gz USCRWCKNRHOTMQ-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419291878 405236152 /nfs/dbraw/zinc/23/61/52/405236152.db2.gz LYUXEIQDYGIGFY-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421324999 405464240 /nfs/dbraw/zinc/46/42/40/405464240.db2.gz JBZBLECAMKWMRI-UHFFFAOYSA-N 2 1 318.440 2.205 20 30 DEEDMP C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449520223 405595559 /nfs/dbraw/zinc/59/55/59/405595559.db2.gz OUWCWXBTRVTDKW-OCCSQVGLSA-N 2 1 307.463 2.343 20 30 DEEDMP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000491523828 406610992 /nfs/dbraw/zinc/61/09/92/406610992.db2.gz HNQYFCLTPQPZKP-HZPDHXFCSA-N 2 1 302.397 2.098 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000491394438 406584157 /nfs/dbraw/zinc/58/41/57/406584157.db2.gz MBHMZKJUBVDJNK-UHFFFAOYSA-N 2 1 304.438 2.203 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000491394438 406584159 /nfs/dbraw/zinc/58/41/59/406584159.db2.gz MBHMZKJUBVDJNK-UHFFFAOYSA-N 2 1 304.438 2.203 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638572 407157951 /nfs/dbraw/zinc/15/79/51/407157951.db2.gz RVTHFWSQAOKLPG-QRVBRYPASA-N 2 1 318.461 2.050 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638572 407157954 /nfs/dbraw/zinc/15/79/54/407157954.db2.gz RVTHFWSQAOKLPG-QRVBRYPASA-N 2 1 318.461 2.050 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000263274551 225295783 /nfs/dbraw/zinc/29/57/83/225295783.db2.gz PYTUFQDYXQNMBF-MRXNPFEDSA-N 2 1 320.506 2.083 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H]1CSCC[N@H+]1Cc1ccccc1)N(C)C ZINC000263274551 225295787 /nfs/dbraw/zinc/29/57/87/225295787.db2.gz PYTUFQDYXQNMBF-MRXNPFEDSA-N 2 1 320.506 2.083 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1C ZINC000267203902 225350984 /nfs/dbraw/zinc/35/09/84/225350984.db2.gz QZLATDCIMRKTSD-MRXNPFEDSA-N 2 1 306.479 2.467 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890649 782025602 /nfs/dbraw/zinc/02/56/02/782025602.db2.gz FEXOSKJRPQHYPQ-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890649 782025606 /nfs/dbraw/zinc/02/56/06/782025606.db2.gz FEXOSKJRPQHYPQ-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422973492 230301222 /nfs/dbraw/zinc/30/12/22/230301222.db2.gz BYOOIJRFPAANGL-QRTARXTBSA-N 2 1 316.424 2.396 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648773440 424904268 /nfs/dbraw/zinc/90/42/68/424904268.db2.gz JYWZNEJAVLMSAA-AWEZNQCLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCCC1 ZINC000657702700 425389347 /nfs/dbraw/zinc/38/93/47/425389347.db2.gz NZMGFNRVHXEQNN-UHFFFAOYSA-N 2 1 315.465 2.207 20 30 DEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657872345 425412681 /nfs/dbraw/zinc/41/26/81/425412681.db2.gz NCNNFCMIQCMJKQ-ZACQAIPSSA-N 2 1 307.482 2.298 20 30 DEEDMP C=CC[C@]1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662683965 425712976 /nfs/dbraw/zinc/71/29/76/425712976.db2.gz XZVPRVNSFZNMLG-SOLBZPMBSA-N 2 1 307.482 2.169 20 30 DEEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262557905 274290368 /nfs/dbraw/zinc/29/03/68/274290368.db2.gz VLDWCEYJDHYOSD-ZBFHGGJFSA-N 2 1 316.449 2.146 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001357582486 1152315723 /nfs/dbraw/zinc/31/57/23/1152315723.db2.gz WTHVJRQTTYAEMX-XIRDDKMYSA-N 2 1 305.466 2.145 20 30 DEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000268111212 533991045 /nfs/dbraw/zinc/99/10/45/533991045.db2.gz ZCEAVFXUOIJJQL-CQSZACIVSA-N 2 1 304.438 2.400 20 30 DEEDMP COc1ccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000262462297 533992406 /nfs/dbraw/zinc/99/24/06/533992406.db2.gz KUTVQXQAMAHLMH-NSHDSACASA-N 2 1 319.796 2.287 20 30 DEEDMP C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341425636 527146453 /nfs/dbraw/zinc/14/64/53/527146453.db2.gz BAQKNQDGSAMHIQ-IRXDYDNUSA-N 2 1 324.513 2.399 20 30 DEEDMP CCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264066400 528941716 /nfs/dbraw/zinc/94/17/16/528941716.db2.gz BKYZDLOLCNIYBN-HNNXBMFYSA-N 2 1 304.438 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595752 529074698 /nfs/dbraw/zinc/07/46/98/529074698.db2.gz VZEDGSNCWQRILI-SJORKVTESA-N 2 1 317.481 2.210 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001368808024 1148677561 /nfs/dbraw/zinc/67/75/61/1148677561.db2.gz SALCUBRJMKFGOT-GJZGRUSLSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001368808024 1148677567 /nfs/dbraw/zinc/67/75/67/1148677567.db2.gz SALCUBRJMKFGOT-GJZGRUSLSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008042070 625313718 /nfs/dbraw/zinc/31/37/18/625313718.db2.gz ALQZIZULEBGXRW-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001026515811 625493547 /nfs/dbraw/zinc/49/35/47/625493547.db2.gz KLQHPXUJABGKPS-YMAMQOFZSA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519470 625495216 /nfs/dbraw/zinc/49/52/16/625495216.db2.gz KKDCQRJIAYYAJJ-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000969170465 622602836 /nfs/dbraw/zinc/60/28/36/622602836.db2.gz QVWZGBYJQSEEQL-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970450392 623457359 /nfs/dbraw/zinc/45/73/59/623457359.db2.gz BTRACVFSMXKWDG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575687 623779661 /nfs/dbraw/zinc/77/96/61/623779661.db2.gz MFLWPTIQIHIMMQ-JKSUJKDBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021602442 623814373 /nfs/dbraw/zinc/81/43/73/623814373.db2.gz HMTMOASPBIFVQR-RDJZCZTQSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664295 623920724 /nfs/dbraw/zinc/92/07/24/623920724.db2.gz GXNHWWHDQWLCHE-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681674 623951742 /nfs/dbraw/zinc/95/17/42/623951742.db2.gz IOHPJUUFHDBOCH-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650674 634388398 /nfs/dbraw/zinc/38/83/98/634388398.db2.gz CXCHNVVVEYKSCS-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506895 624928013 /nfs/dbraw/zinc/92/80/13/624928013.db2.gz UDJIOKRTTQGBJY-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3nccn32)C[C@H]1C ZINC000947539648 625152811 /nfs/dbraw/zinc/15/28/11/625152811.db2.gz FGBFPQLUZNVFSD-CABCVRRESA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947546976 625199387 /nfs/dbraw/zinc/19/93/87/625199387.db2.gz MPAXNOKLLNCDLX-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947546976 625199390 /nfs/dbraw/zinc/19/93/90/625199390.db2.gz MPAXNOKLLNCDLX-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023380849 625246278 /nfs/dbraw/zinc/24/62/78/625246278.db2.gz ILLWHKSJYOLGOP-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380849 625246283 /nfs/dbraw/zinc/24/62/83/625246283.db2.gz ILLWHKSJYOLGOP-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380849 625246291 /nfs/dbraw/zinc/24/62/91/625246291.db2.gz ILLWHKSJYOLGOP-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446815 625271341 /nfs/dbraw/zinc/27/13/41/625271341.db2.gz YQUFRWFQNUAGOD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446815 625271342 /nfs/dbraw/zinc/27/13/42/625271342.db2.gz YQUFRWFQNUAGOD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446815 625271344 /nfs/dbraw/zinc/27/13/44/625271344.db2.gz YQUFRWFQNUAGOD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497090 625272943 /nfs/dbraw/zinc/27/29/43/625272943.db2.gz ALZWRVYUNMVZSI-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497090 625272950 /nfs/dbraw/zinc/27/29/50/625272950.db2.gz ALZWRVYUNMVZSI-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497090 625272956 /nfs/dbraw/zinc/27/29/56/625272956.db2.gz ALZWRVYUNMVZSI-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497090 625272961 /nfs/dbraw/zinc/27/29/61/625272961.db2.gz ALZWRVYUNMVZSI-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024469518 625799946 /nfs/dbraw/zinc/79/99/46/625799946.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024469518 625799950 /nfs/dbraw/zinc/79/99/50/625799950.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024469518 625799955 /nfs/dbraw/zinc/79/99/55/625799955.db2.gz SBARDBMMEHPACM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531387 625847958 /nfs/dbraw/zinc/84/79/58/625847958.db2.gz QPBBSCRRSZPTPJ-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978944002 634460112 /nfs/dbraw/zinc/46/01/12/634460112.db2.gz KOHXLMQUCWSHQP-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978944002 634460115 /nfs/dbraw/zinc/46/01/15/634460115.db2.gz KOHXLMQUCWSHQP-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978944002 634460117 /nfs/dbraw/zinc/46/01/17/634460117.db2.gz KOHXLMQUCWSHQP-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999350877 634569908 /nfs/dbraw/zinc/56/99/08/634569908.db2.gz BYCJKUSOHZAPJS-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000999875934 634697737 /nfs/dbraw/zinc/69/77/37/634697737.db2.gz FEXLXJNNDNTXHM-YMAMQOFZSA-N 2 1 313.873 2.192 20 30 DEEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692572 632924263 /nfs/dbraw/zinc/92/42/63/632924263.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692572 632924271 /nfs/dbraw/zinc/92/42/71/632924271.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692572 632924277 /nfs/dbraw/zinc/92/42/77/632924277.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692572 632924280 /nfs/dbraw/zinc/92/42/80/632924280.db2.gz OYFHFPNRIZETPJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827842 633124072 /nfs/dbraw/zinc/12/40/72/633124072.db2.gz WXLATFTVYHBWRZ-GJZGRUSLSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995983823 633154178 /nfs/dbraw/zinc/15/41/78/633154178.db2.gz SERATEORDRIZJI-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974729178 633270483 /nfs/dbraw/zinc/27/04/83/633270483.db2.gz HPRSCGZMWFZDPU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974729178 633270486 /nfs/dbraw/zinc/27/04/86/633270486.db2.gz HPRSCGZMWFZDPU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974729178 633270501 /nfs/dbraw/zinc/27/05/01/633270501.db2.gz HPRSCGZMWFZDPU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729178 633270506 /nfs/dbraw/zinc/27/05/06/633270506.db2.gz HPRSCGZMWFZDPU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729178 633270511 /nfs/dbraw/zinc/27/05/11/633270511.db2.gz HPRSCGZMWFZDPU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974968911 633380858 /nfs/dbraw/zinc/38/08/58/633380858.db2.gz BYHSNRHJUZAHDR-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974968911 633380862 /nfs/dbraw/zinc/38/08/62/633380862.db2.gz BYHSNRHJUZAHDR-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029379 633400185 /nfs/dbraw/zinc/40/01/85/633400185.db2.gz ANUQVUNUESOHCS-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029379 633400192 /nfs/dbraw/zinc/40/01/92/633400192.db2.gz ANUQVUNUESOHCS-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456810 633993969 /nfs/dbraw/zinc/99/39/69/633993969.db2.gz VOJXJXZCRFWJQL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456810 633993972 /nfs/dbraw/zinc/99/39/72/633993972.db2.gz VOJXJXZCRFWJQL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456810 633993975 /nfs/dbraw/zinc/99/39/75/633993975.db2.gz VOJXJXZCRFWJQL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555127 634112897 /nfs/dbraw/zinc/11/28/97/634112897.db2.gz DRUNTAPSTBCERB-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555127 634112901 /nfs/dbraw/zinc/11/29/01/634112901.db2.gz DRUNTAPSTBCERB-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980170328 634873516 /nfs/dbraw/zinc/87/35/16/634873516.db2.gz BNJVCZDRIURUDM-OKZBNKHCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001000778984 635308157 /nfs/dbraw/zinc/30/81/57/635308157.db2.gz VDPHRIYIWPZCFI-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000778984 635308162 /nfs/dbraw/zinc/30/81/62/635308162.db2.gz VDPHRIYIWPZCFI-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000778984 635308165 /nfs/dbraw/zinc/30/81/65/635308165.db2.gz VDPHRIYIWPZCFI-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000842088 635312033 /nfs/dbraw/zinc/31/20/33/635312033.db2.gz PTSLOJHOFUXBIU-UHFFFAOYSA-N 2 1 317.477 2.187 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001000851858 635328335 /nfs/dbraw/zinc/32/83/35/635328335.db2.gz PEROKGVMOCYOLQ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001000851858 635328339 /nfs/dbraw/zinc/32/83/39/635328339.db2.gz PEROKGVMOCYOLQ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001000851858 635328344 /nfs/dbraw/zinc/32/83/44/635328344.db2.gz PEROKGVMOCYOLQ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001001003498 635376125 /nfs/dbraw/zinc/37/61/25/635376125.db2.gz AOBBCHRFRHKZIW-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070029 635396977 /nfs/dbraw/zinc/39/69/77/635396977.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070029 635396984 /nfs/dbraw/zinc/39/69/84/635396984.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070029 635396992 /nfs/dbraw/zinc/39/69/92/635396992.db2.gz OIGVHDFOWYOXAR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001095109 635406516 /nfs/dbraw/zinc/40/65/16/635406516.db2.gz ZNSPEPMQUGGWAI-UHFFFAOYSA-N 2 1 317.433 2.279 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438050 635483097 /nfs/dbraw/zinc/48/30/97/635483097.db2.gz JELNZJSOWYGHIK-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438050 635483099 /nfs/dbraw/zinc/48/30/99/635483099.db2.gz JELNZJSOWYGHIK-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438050 635483100 /nfs/dbraw/zinc/48/31/00/635483100.db2.gz JELNZJSOWYGHIK-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC000981841419 635683569 /nfs/dbraw/zinc/68/35/69/635683569.db2.gz BZAWXNOSCFCHMR-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981841419 635683572 /nfs/dbraw/zinc/68/35/72/635683572.db2.gz BZAWXNOSCFCHMR-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981926856 635735603 /nfs/dbraw/zinc/73/56/03/635735603.db2.gz BFYGHTMVLXUSMP-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253690 635963683 /nfs/dbraw/zinc/96/36/83/635963683.db2.gz FGYGREGUTWTBFR-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028253776 635964517 /nfs/dbraw/zinc/96/45/17/635964517.db2.gz GQELXILDLQMQRW-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253776 635964519 /nfs/dbraw/zinc/96/45/19/635964519.db2.gz GQELXILDLQMQRW-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253776 635964521 /nfs/dbraw/zinc/96/45/21/635964521.db2.gz GQELXILDLQMQRW-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028335098 636136267 /nfs/dbraw/zinc/13/62/67/636136267.db2.gz NQNLGRXBTGEGHL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335098 636136269 /nfs/dbraw/zinc/13/62/69/636136269.db2.gz NQNLGRXBTGEGHL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335098 636136272 /nfs/dbraw/zinc/13/62/72/636136272.db2.gz NQNLGRXBTGEGHL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594842 636470441 /nfs/dbraw/zinc/47/04/41/636470441.db2.gz NGEGEUXHGXQAHI-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594842 636470444 /nfs/dbraw/zinc/47/04/44/636470444.db2.gz NGEGEUXHGXQAHI-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594842 636470447 /nfs/dbraw/zinc/47/04/47/636470447.db2.gz NGEGEUXHGXQAHI-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028767269 636719233 /nfs/dbraw/zinc/71/92/33/636719233.db2.gz MSXNNTLCVVYRGJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028767269 636719240 /nfs/dbraw/zinc/71/92/40/636719240.db2.gz MSXNNTLCVVYRGJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028767269 636719242 /nfs/dbraw/zinc/71/92/42/636719242.db2.gz MSXNNTLCVVYRGJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504399 636753679 /nfs/dbraw/zinc/75/36/79/636753679.db2.gz QYFAUZVDJSEKEA-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487089 637201682 /nfs/dbraw/zinc/20/16/82/637201682.db2.gz WSMUAZYVZADKST-GJZGRUSLSA-N 2 1 321.490 2.322 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117229 637215287 /nfs/dbraw/zinc/21/52/87/637215287.db2.gz UYIISXHYUZHAHM-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC#Cc3ccccc3)cc2)C1 ZINC000895336494 637941049 /nfs/dbraw/zinc/94/10/49/637941049.db2.gz GSWWPYWSPYBZBN-OAQYLSRUSA-N 2 1 320.436 2.395 20 30 DEEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746660403 638366447 /nfs/dbraw/zinc/36/64/47/638366447.db2.gz VRGMDQCMTCLOHE-IBGZPJMESA-N 2 1 315.461 2.473 20 30 DEEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746660403 638366449 /nfs/dbraw/zinc/36/64/49/638366449.db2.gz VRGMDQCMTCLOHE-IBGZPJMESA-N 2 1 315.461 2.473 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000985723423 639600793 /nfs/dbraw/zinc/60/07/93/639600793.db2.gz BOUAKEXSVRCDSL-UHFFFAOYSA-N 2 1 322.412 2.042 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803577 639644701 /nfs/dbraw/zinc/64/47/01/639644701.db2.gz GKDOGUQWTDBKLU-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C[C@H]1CNC(NN=C2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)=[NH+]1 ZINC000841633320 650527127 /nfs/dbraw/zinc/52/71/27/650527127.db2.gz KOGQLUMFCQIXCX-GUYCJALGSA-N 2 1 311.433 2.279 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989451532 641011513 /nfs/dbraw/zinc/01/15/13/641011513.db2.gz TXYKTVHAHCNLJR-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990683080 641599793 /nfs/dbraw/zinc/59/97/93/641599793.db2.gz IVEQVLQAJWDPAL-YQVWRLOYSA-N 2 1 317.477 2.018 20 30 DEEDMP C(=NNc1cc[nH+]cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000779810095 642542375 /nfs/dbraw/zinc/54/23/75/642542375.db2.gz USPNORGMNDTIQN-UHFFFAOYSA-N 2 1 310.401 2.424 20 30 DEEDMP CCC[NH+]1CCN(c2ccccc2C=[NH+][N-]c2cc[nH+]cc2)CC1 ZINC000779809486 642543005 /nfs/dbraw/zinc/54/30/05/642543005.db2.gz JXHGOFFVYPZXAC-UHFFFAOYSA-N 2 1 323.444 2.482 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902745849 643130371 /nfs/dbraw/zinc/13/03/71/643130371.db2.gz XJLCBINTFVZXHN-INIZCTEOSA-N 2 1 315.465 2.022 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903458912 643352013 /nfs/dbraw/zinc/35/20/13/643352013.db2.gz MXKUMVADNJRSIM-QGZVFWFLSA-N 2 1 324.432 2.062 20 30 DEEDMP N#CC1(CCCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CCC1 ZINC000903746899 643445800 /nfs/dbraw/zinc/44/58/00/643445800.db2.gz NFKIHMJFGQNSQO-INIZCTEOSA-N 2 1 320.481 2.170 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907862531 644664736 /nfs/dbraw/zinc/66/47/36/644664736.db2.gz XPBURZUIATWWOZ-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP NC(=[NH+]OCCC[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000808262294 646063967 /nfs/dbraw/zinc/06/39/67/646063967.db2.gz LLXAXTDDOPBIOE-UHFFFAOYSA-N 2 1 303.406 2.134 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC[C@@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912506784 646090219 /nfs/dbraw/zinc/09/02/19/646090219.db2.gz BWOAZUOWZRUCII-CVEARBPZSA-N 2 1 324.513 2.229 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829232 646696188 /nfs/dbraw/zinc/69/61/88/646696188.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829232 646696191 /nfs/dbraw/zinc/69/61/91/646696191.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829232 646696193 /nfs/dbraw/zinc/69/61/93/646696193.db2.gz HHTMKRYVUXVZNB-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185640 646892506 /nfs/dbraw/zinc/89/25/06/646892506.db2.gz CGKZYVMQGXOLRC-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185640 646892512 /nfs/dbraw/zinc/89/25/12/646892512.db2.gz CGKZYVMQGXOLRC-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189913 646894497 /nfs/dbraw/zinc/89/44/97/646894497.db2.gz OASKIXOGXLOGQU-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189913 646894501 /nfs/dbraw/zinc/89/45/01/646894501.db2.gz OASKIXOGXLOGQU-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992189913 646894507 /nfs/dbraw/zinc/89/45/07/646894507.db2.gz OASKIXOGXLOGQU-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189918 646894922 /nfs/dbraw/zinc/89/49/22/646894922.db2.gz OASKIXOGXLOGQU-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189918 646894925 /nfs/dbraw/zinc/89/49/25/646894925.db2.gz OASKIXOGXLOGQU-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189918 646894926 /nfs/dbraw/zinc/89/49/26/646894926.db2.gz OASKIXOGXLOGQU-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992475492 647050263 /nfs/dbraw/zinc/05/02/63/647050263.db2.gz JTFIJPBYUQNDMO-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992475492 647050266 /nfs/dbraw/zinc/05/02/66/647050266.db2.gz JTFIJPBYUQNDMO-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992475492 647050268 /nfs/dbraw/zinc/05/02/68/647050268.db2.gz JTFIJPBYUQNDMO-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCCCC#N ZINC001168426885 782189512 /nfs/dbraw/zinc/18/95/12/782189512.db2.gz FVWXTOGZQNITOZ-UHFFFAOYSA-N 2 1 302.426 2.066 20 30 DEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818985847 647557838 /nfs/dbraw/zinc/55/78/38/647557838.db2.gz XZQZRUYBZMYWNY-WMZOPIPTSA-N 2 1 301.434 2.302 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993358123 647626015 /nfs/dbraw/zinc/62/60/15/647626015.db2.gz YOEFKZURLHXHHI-HOCLYGCPSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCN1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993358123 647626016 /nfs/dbraw/zinc/62/60/16/647626016.db2.gz YOEFKZURLHXHHI-HOCLYGCPSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993681360 647724974 /nfs/dbraw/zinc/72/49/74/647724974.db2.gz GVCLJJRJYOFWAM-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737355 648935269 /nfs/dbraw/zinc/93/52/69/648935269.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737355 648935274 /nfs/dbraw/zinc/93/52/74/648935274.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737355 648935275 /nfs/dbraw/zinc/93/52/75/648935275.db2.gz NXLDKYLNNDOCRG-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867514 648958184 /nfs/dbraw/zinc/95/81/84/648958184.db2.gz COGRXAURZQXDOO-KRWDZBQOSA-N 2 1 324.428 2.188 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237862 649028905 /nfs/dbraw/zinc/02/89/05/649028905.db2.gz RRGPXZBVWXJXRT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237862 649028906 /nfs/dbraw/zinc/02/89/06/649028906.db2.gz RRGPXZBVWXJXRT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237862 649028909 /nfs/dbraw/zinc/02/89/09/649028909.db2.gz RRGPXZBVWXJXRT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372258 649096953 /nfs/dbraw/zinc/09/69/53/649096953.db2.gz AMYYYNQNGGFRAV-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558225 649244698 /nfs/dbraw/zinc/24/46/98/649244698.db2.gz TZXUZRRAMKOIJJ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286801 649358293 /nfs/dbraw/zinc/35/82/93/649358293.db2.gz GRXMQYXYEWBXDG-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286801 649358297 /nfs/dbraw/zinc/35/82/97/649358297.db2.gz GRXMQYXYEWBXDG-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756598 649423071 /nfs/dbraw/zinc/42/30/71/649423071.db2.gz SAFXXXXZKQADCN-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603666 651957174 /nfs/dbraw/zinc/95/71/74/651957174.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603666 651957181 /nfs/dbraw/zinc/95/71/81/651957181.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603666 651957185 /nfs/dbraw/zinc/95/71/85/651957185.db2.gz OAVHIGOMMIBFRP-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857782779 652176710 /nfs/dbraw/zinc/17/67/10/652176710.db2.gz CUUQMCRAEOULHF-UHFFFAOYSA-N 2 1 303.793 2.418 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144969 693862385 /nfs/dbraw/zinc/86/23/85/693862385.db2.gz GBIDCERMYAKERU-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153283 693864044 /nfs/dbraw/zinc/86/40/44/693864044.db2.gz NOJWFVLPTYVWPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153283 693864047 /nfs/dbraw/zinc/86/40/47/693864047.db2.gz NOJWFVLPTYVWPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153283 693864049 /nfs/dbraw/zinc/86/40/49/693864049.db2.gz NOJWFVLPTYVWPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160004 693866720 /nfs/dbraw/zinc/86/67/20/693866720.db2.gz SJXSVLIGSYBAIM-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259256 693904646 /nfs/dbraw/zinc/90/46/46/693904646.db2.gz RRPRSJIIPHAYFD-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259256 693904648 /nfs/dbraw/zinc/90/46/48/693904648.db2.gz RRPRSJIIPHAYFD-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259256 693904652 /nfs/dbraw/zinc/90/46/52/693904652.db2.gz RRPRSJIIPHAYFD-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270332 693909220 /nfs/dbraw/zinc/90/92/20/693909220.db2.gz KWPQGVBBBHIZIH-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270332 693909222 /nfs/dbraw/zinc/90/92/22/693909222.db2.gz KWPQGVBBBHIZIH-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270332 693909225 /nfs/dbraw/zinc/90/92/25/693909225.db2.gz KWPQGVBBBHIZIH-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270332 693909229 /nfs/dbraw/zinc/90/92/29/693909229.db2.gz KWPQGVBBBHIZIH-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000303789903 685235591 /nfs/dbraw/zinc/23/55/91/685235591.db2.gz VUJTUQDPFMGUHV-QGZVFWFLSA-N 2 1 320.481 2.183 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303893920 685238334 /nfs/dbraw/zinc/23/83/34/685238334.db2.gz SFYZGSFPNIJWTJ-CVEARBPZSA-N 2 1 314.477 2.480 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303893920 685238336 /nfs/dbraw/zinc/23/83/36/685238336.db2.gz SFYZGSFPNIJWTJ-CVEARBPZSA-N 2 1 314.477 2.480 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(C#N)CC1 ZINC000930062747 694081443 /nfs/dbraw/zinc/08/14/43/694081443.db2.gz YHTBNGHCPXLAOF-KWXGJIJISA-N 2 1 305.466 2.500 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840113 687438937 /nfs/dbraw/zinc/43/89/37/687438937.db2.gz TUSFVUSLPRZJGB-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016383558 687608017 /nfs/dbraw/zinc/60/80/17/687608017.db2.gz JNEAQXQMDGQDLF-CQSZACIVSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016383558 687608022 /nfs/dbraw/zinc/60/80/22/687608022.db2.gz JNEAQXQMDGQDLF-CQSZACIVSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828051 687711740 /nfs/dbraw/zinc/71/17/40/687711740.db2.gz CEQUQWMCRYYUDY-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867960626 687851530 /nfs/dbraw/zinc/85/15/30/687851530.db2.gz NSAAZMGQLRTXCD-XIKOKIGWSA-N 2 1 320.396 2.403 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550293 687911215 /nfs/dbraw/zinc/91/12/15/687911215.db2.gz WWIKHUDPNRARGQ-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550293 687911218 /nfs/dbraw/zinc/91/12/18/687911218.db2.gz WWIKHUDPNRARGQ-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550293 687911223 /nfs/dbraw/zinc/91/12/23/687911223.db2.gz WWIKHUDPNRARGQ-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051884 688039896 /nfs/dbraw/zinc/03/98/96/688039896.db2.gz KWCLUIXEVSSPRE-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051884 688039905 /nfs/dbraw/zinc/03/99/05/688039905.db2.gz KWCLUIXEVSSPRE-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051884 688039913 /nfs/dbraw/zinc/03/99/13/688039913.db2.gz KWCLUIXEVSSPRE-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001019274938 688318003 /nfs/dbraw/zinc/31/80/03/688318003.db2.gz VQOMSDAKDIUAMB-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001019468525 688362864 /nfs/dbraw/zinc/36/28/64/688362864.db2.gz YZTRQNMLDQHCLW-GJZGRUSLSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001030445340 688689711 /nfs/dbraw/zinc/68/97/11/688689711.db2.gz XLFRPVKHBKAXMY-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001030445340 688689714 /nfs/dbraw/zinc/68/97/14/688689714.db2.gz XLFRPVKHBKAXMY-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157757 688941126 /nfs/dbraw/zinc/94/11/26/688941126.db2.gz QUMDZWRPPYEUBC-NJAFHUGGSA-N 2 1 319.493 2.393 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001031918193 689020266 /nfs/dbraw/zinc/02/02/66/689020266.db2.gz AGTMHYDWUDUEHU-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032442714 689152523 /nfs/dbraw/zinc/15/25/23/689152523.db2.gz CPBZTVGMKKVJOL-BZSNNMDCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442714 689152525 /nfs/dbraw/zinc/15/25/25/689152525.db2.gz CPBZTVGMKKVJOL-BZSNNMDCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442714 689152527 /nfs/dbraw/zinc/15/25/27/689152527.db2.gz CPBZTVGMKKVJOL-BZSNNMDCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032442715 689152652 /nfs/dbraw/zinc/15/26/52/689152652.db2.gz CPBZTVGMKKVJOL-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032442715 689152655 /nfs/dbraw/zinc/15/26/55/689152655.db2.gz CPBZTVGMKKVJOL-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032442715 689152659 /nfs/dbraw/zinc/15/26/59/689152659.db2.gz CPBZTVGMKKVJOL-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001033160060 689408438 /nfs/dbraw/zinc/40/84/38/689408438.db2.gz DCQQMGOLXANOKH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001033160060 689408443 /nfs/dbraw/zinc/40/84/43/689408443.db2.gz DCQQMGOLXANOKH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001033160060 689408445 /nfs/dbraw/zinc/40/84/45/689408445.db2.gz DCQQMGOLXANOKH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001033160060 689408448 /nfs/dbraw/zinc/40/84/48/689408448.db2.gz DCQQMGOLXANOKH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033350440 689473383 /nfs/dbraw/zinc/47/33/83/689473383.db2.gz BFLQBULGZYDZGR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033350440 689473384 /nfs/dbraw/zinc/47/33/84/689473384.db2.gz BFLQBULGZYDZGR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033350440 689473385 /nfs/dbraw/zinc/47/33/85/689473385.db2.gz BFLQBULGZYDZGR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856205 689640623 /nfs/dbraw/zinc/64/06/23/689640623.db2.gz SBNRXJLIQKQIMX-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856205 689640626 /nfs/dbraw/zinc/64/06/26/689640626.db2.gz SBNRXJLIQKQIMX-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898315 689655248 /nfs/dbraw/zinc/65/52/48/689655248.db2.gz PXTNPJPIQCKSJM-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001034027081 689698362 /nfs/dbraw/zinc/69/83/62/689698362.db2.gz AZCIEOXETKFQKL-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001034027081 689698366 /nfs/dbraw/zinc/69/83/66/689698366.db2.gz AZCIEOXETKFQKL-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001034027081 689698370 /nfs/dbraw/zinc/69/83/70/689698370.db2.gz AZCIEOXETKFQKL-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238932 689776497 /nfs/dbraw/zinc/77/64/97/689776497.db2.gz OYCSMMFXJOQQBN-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238932 689776500 /nfs/dbraw/zinc/77/65/00/689776500.db2.gz OYCSMMFXJOQQBN-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238932 689776503 /nfs/dbraw/zinc/77/65/03/689776503.db2.gz OYCSMMFXJOQQBN-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034240957 689777415 /nfs/dbraw/zinc/77/74/15/689777415.db2.gz VHEULQUQZWAHCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240957 689777416 /nfs/dbraw/zinc/77/74/16/689777416.db2.gz VHEULQUQZWAHCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240957 689777419 /nfs/dbraw/zinc/77/74/19/689777419.db2.gz VHEULQUQZWAHCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285369 689794754 /nfs/dbraw/zinc/79/47/54/689794754.db2.gz CMRXWWSEAFSBLN-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285369 689794756 /nfs/dbraw/zinc/79/47/56/689794756.db2.gz CMRXWWSEAFSBLN-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285369 689794758 /nfs/dbraw/zinc/79/47/58/689794758.db2.gz CMRXWWSEAFSBLN-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397742 689836342 /nfs/dbraw/zinc/83/63/42/689836342.db2.gz LCKGMJUCXVNTPS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397742 689836344 /nfs/dbraw/zinc/83/63/44/689836344.db2.gz LCKGMJUCXVNTPS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397742 689836346 /nfs/dbraw/zinc/83/63/46/689836346.db2.gz LCKGMJUCXVNTPS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474428 689863852 /nfs/dbraw/zinc/86/38/52/689863852.db2.gz KVLFSHNFFBMHSH-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538247 689890934 /nfs/dbraw/zinc/89/09/34/689890934.db2.gz KBZWERBIDWVKDA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538247 689890938 /nfs/dbraw/zinc/89/09/38/689890938.db2.gz KBZWERBIDWVKDA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538247 689890941 /nfs/dbraw/zinc/89/09/41/689890941.db2.gz KBZWERBIDWVKDA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000876724703 689915875 /nfs/dbraw/zinc/91/58/75/689915875.db2.gz GKGDLYFYULXAKU-KBPBESRZSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000876737504 689921886 /nfs/dbraw/zinc/92/18/86/689921886.db2.gz RWKNWMPZWBJGAM-AAEUAGOBSA-N 2 1 301.862 2.083 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035257286 690075895 /nfs/dbraw/zinc/07/58/95/690075895.db2.gz VUPIAQWMGSLAGB-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035716929 690159353 /nfs/dbraw/zinc/15/93/53/690159353.db2.gz BDDCKSGGYBMARI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725089 690161743 /nfs/dbraw/zinc/16/17/43/690161743.db2.gz FPRPNKKAUXRHLD-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814917 690183799 /nfs/dbraw/zinc/18/37/99/690183799.db2.gz VBOJIWDIBSJLCH-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035833996 690188628 /nfs/dbraw/zinc/18/86/28/690188628.db2.gz FHGFCUOTDUHNMK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036202201 690289066 /nfs/dbraw/zinc/28/90/66/690289066.db2.gz GVBFXNMOZZRWGZ-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801199 690478746 /nfs/dbraw/zinc/47/87/46/690478746.db2.gz IAWCEXXWAVTWPL-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801199 690478748 /nfs/dbraw/zinc/47/87/48/690478748.db2.gz IAWCEXXWAVTWPL-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833224 690492118 /nfs/dbraw/zinc/49/21/18/690492118.db2.gz QBWPVRAHSQQCQN-HOTGVXAUSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833224 690492120 /nfs/dbraw/zinc/49/21/20/690492120.db2.gz QBWPVRAHSQQCQN-HOTGVXAUSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833226 690492300 /nfs/dbraw/zinc/49/23/00/690492300.db2.gz QBWPVRAHSQQCQN-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833226 690492303 /nfs/dbraw/zinc/49/23/03/690492303.db2.gz QBWPVRAHSQQCQN-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036852677 690498969 /nfs/dbraw/zinc/49/89/69/690498969.db2.gz HVOJRAWQTBZDNG-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037926108 690641634 /nfs/dbraw/zinc/64/16/34/690641634.db2.gz MFLBPOFQBUOVDC-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001037976442 690654624 /nfs/dbraw/zinc/65/46/24/690654624.db2.gz ZRPMFKBHYVTVES-LSDHHAIUSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCN1CC[C@@H]([N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000879703365 690710719 /nfs/dbraw/zinc/71/07/19/690710719.db2.gz JRBNMGFQTDORMY-QGZVFWFLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241505 691065987 /nfs/dbraw/zinc/06/59/87/691065987.db2.gz BSSIHMYJYZQIGE-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241505 691065989 /nfs/dbraw/zinc/06/59/89/691065989.db2.gz BSSIHMYJYZQIGE-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373351 691091509 /nfs/dbraw/zinc/09/15/09/691091509.db2.gz PIWMSNYMWKLEMR-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373351 691091513 /nfs/dbraw/zinc/09/15/13/691091513.db2.gz PIWMSNYMWKLEMR-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373351 691091514 /nfs/dbraw/zinc/09/15/14/691091514.db2.gz PIWMSNYMWKLEMR-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039437085 691105805 /nfs/dbraw/zinc/10/58/05/691105805.db2.gz AAUHTYRUKLWDIT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437085 691105807 /nfs/dbraw/zinc/10/58/07/691105807.db2.gz AAUHTYRUKLWDIT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437085 691105808 /nfs/dbraw/zinc/10/58/08/691105808.db2.gz AAUHTYRUKLWDIT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230807 691216748 /nfs/dbraw/zinc/21/67/48/691216748.db2.gz GBFYTXKXSUMWCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230807 691216750 /nfs/dbraw/zinc/21/67/50/691216750.db2.gz GBFYTXKXSUMWCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230807 691216752 /nfs/dbraw/zinc/21/67/52/691216752.db2.gz GBFYTXKXSUMWCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243821 691219326 /nfs/dbraw/zinc/21/93/26/691219326.db2.gz CBLJQPNKDVAILB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243821 691219328 /nfs/dbraw/zinc/21/93/28/691219328.db2.gz CBLJQPNKDVAILB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243821 691219331 /nfs/dbraw/zinc/21/93/31/691219331.db2.gz CBLJQPNKDVAILB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292021 691225937 /nfs/dbraw/zinc/22/59/37/691225937.db2.gz JXVRZYSQZUDKKM-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292021 691225941 /nfs/dbraw/zinc/22/59/41/691225941.db2.gz JXVRZYSQZUDKKM-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395885 691242727 /nfs/dbraw/zinc/24/27/27/691242727.db2.gz RCFWFNRYSRUTHN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395885 691242736 /nfs/dbraw/zinc/24/27/36/691242736.db2.gz RCFWFNRYSRUTHN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395885 691242737 /nfs/dbraw/zinc/24/27/37/691242737.db2.gz RCFWFNRYSRUTHN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040527109 691261888 /nfs/dbraw/zinc/26/18/88/691261888.db2.gz FSTGPRHGIWNCKH-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040527109 691261892 /nfs/dbraw/zinc/26/18/92/691261892.db2.gz FSTGPRHGIWNCKH-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040527109 691261895 /nfs/dbraw/zinc/26/18/95/691261895.db2.gz FSTGPRHGIWNCKH-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445372 691376550 /nfs/dbraw/zinc/37/65/50/691376550.db2.gz KHXFBGJTOBANGJ-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042154864 691524305 /nfs/dbraw/zinc/52/43/05/691524305.db2.gz AVWVFNBWUKCGCC-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252547 691548670 /nfs/dbraw/zinc/54/86/70/691548670.db2.gz KIURLSVLQQFRJP-HOTGVXAUSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252547 691548672 /nfs/dbraw/zinc/54/86/72/691548672.db2.gz KIURLSVLQQFRJP-HOTGVXAUSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297554 691560761 /nfs/dbraw/zinc/56/07/61/691560761.db2.gz QMBFOCHVOCYZQS-FUHWJXTLSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042353891 691579915 /nfs/dbraw/zinc/57/99/15/691579915.db2.gz BNJRJCTZYFPGDN-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042353891 691579918 /nfs/dbraw/zinc/57/99/18/691579918.db2.gz BNJRJCTZYFPGDN-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042911640 691659803 /nfs/dbraw/zinc/65/98/03/691659803.db2.gz MEXDDLDBOSLYHP-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630266 691861536 /nfs/dbraw/zinc/86/15/36/691861536.db2.gz UMWRUKKNKJVJOT-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045478989 691987317 /nfs/dbraw/zinc/98/73/17/691987317.db2.gz LVDWCEFPEUPKOK-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585147 692001291 /nfs/dbraw/zinc/00/12/91/692001291.db2.gz NZJQUVUYFLKXJS-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886212802 692024963 /nfs/dbraw/zinc/02/49/63/692024963.db2.gz FUUGEXQLLCPQEF-FQEVSTJZSA-N 2 1 311.473 2.338 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948171 692060749 /nfs/dbraw/zinc/06/07/49/692060749.db2.gz WUIWMRGPVLUWPL-MJGOQNOKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761653 692290914 /nfs/dbraw/zinc/29/09/14/692290914.db2.gz ZFPADZXHXQSUNE-IBGZPJMESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975457 692734610 /nfs/dbraw/zinc/73/46/10/692734610.db2.gz ZKRNSNSDHPLRGF-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001317 692740784 /nfs/dbraw/zinc/74/07/84/692740784.db2.gz PAAOKLVZVJNTNU-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001317 692740789 /nfs/dbraw/zinc/74/07/89/692740789.db2.gz PAAOKLVZVJNTNU-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001317 692740793 /nfs/dbraw/zinc/74/07/93/692740793.db2.gz PAAOKLVZVJNTNU-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523441 692910743 /nfs/dbraw/zinc/91/07/43/692910743.db2.gz XWGNMEZTGBXWRW-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523441 692910746 /nfs/dbraw/zinc/91/07/46/692910746.db2.gz XWGNMEZTGBXWRW-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523441 692910750 /nfs/dbraw/zinc/91/07/50/692910750.db2.gz XWGNMEZTGBXWRW-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049525446 692912343 /nfs/dbraw/zinc/91/23/43/692912343.db2.gz QOMJHTMNRNHCIP-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068800 693099674 /nfs/dbraw/zinc/09/96/74/693099674.db2.gz JGHAXCFTCVZCDO-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068800 693099675 /nfs/dbraw/zinc/09/96/75/693099675.db2.gz JGHAXCFTCVZCDO-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068800 693099678 /nfs/dbraw/zinc/09/96/78/693099678.db2.gz JGHAXCFTCVZCDO-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095166 693107070 /nfs/dbraw/zinc/10/70/70/693107070.db2.gz BSAZQGWSJSITMB-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536317 693202680 /nfs/dbraw/zinc/20/26/80/693202680.db2.gz KLNCIZKVGAKREE-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536865 693202911 /nfs/dbraw/zinc/20/29/11/693202911.db2.gz OZSFBCHJPSOPJG-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050592492 693212959 /nfs/dbraw/zinc/21/29/59/693212959.db2.gz UKBLLFDGFODIAY-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630081 693218932 /nfs/dbraw/zinc/21/89/32/693218932.db2.gz JZYDXJDQVDJPSS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)c(F)c1 ZINC000925843879 693351636 /nfs/dbraw/zinc/35/16/36/693351636.db2.gz HEEXHRVMCLYQOT-OAHLLOKOSA-N 2 1 318.440 2.423 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052712004 693601116 /nfs/dbraw/zinc/60/11/16/693601116.db2.gz CMGDDFGBVSDTFZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712004 693601117 /nfs/dbraw/zinc/60/11/17/693601117.db2.gz CMGDDFGBVSDTFZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712004 693601118 /nfs/dbraw/zinc/60/11/18/693601118.db2.gz CMGDDFGBVSDTFZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859273 693634636 /nfs/dbraw/zinc/63/46/36/693634636.db2.gz KRDAKAYAQCYJAS-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859273 693634637 /nfs/dbraw/zinc/63/46/37/693634637.db2.gz KRDAKAYAQCYJAS-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859273 693634641 /nfs/dbraw/zinc/63/46/41/693634641.db2.gz KRDAKAYAQCYJAS-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001333095999 1149997167 /nfs/dbraw/zinc/99/71/67/1149997167.db2.gz VSMUNOUXOCCTTC-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCn1cnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759868 1151775986 /nfs/dbraw/zinc/77/59/86/1151775986.db2.gz HFIJXECKRRWCIF-SOUVJXGZSA-N 2 1 321.494 2.220 20 30 DEEDMP C=CCn1cnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759868 1151775993 /nfs/dbraw/zinc/77/59/93/1151775993.db2.gz HFIJXECKRRWCIF-SOUVJXGZSA-N 2 1 321.494 2.220 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001382135997 1153373736 /nfs/dbraw/zinc/37/37/36/1153373736.db2.gz QIJPTUWVJGUJDE-LSDHHAIUSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001382561382 1153471350 /nfs/dbraw/zinc/47/13/50/1153471350.db2.gz QTJBIIAZUWLFQC-ZFWWWQNUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001389329270 1155311354 /nfs/dbraw/zinc/31/13/54/1155311354.db2.gz VVRXFGQHDRZYIN-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001403604839 1163042310 /nfs/dbraw/zinc/04/23/10/1163042310.db2.gz FVUASARROTYQJJ-ZDUSSCGKSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001402085744 1162241770 /nfs/dbraw/zinc/24/17/70/1162241770.db2.gz ZMFVYMYKIIWJNJ-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001402085744 1162241774 /nfs/dbraw/zinc/24/17/74/1162241774.db2.gz ZMFVYMYKIIWJNJ-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001406186458 1164498934 /nfs/dbraw/zinc/49/89/34/1164498934.db2.gz OKWVTQJVNULJKH-LSDHHAIUSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001406186458 1164498938 /nfs/dbraw/zinc/49/89/38/1164498938.db2.gz OKWVTQJVNULJKH-LSDHHAIUSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001406186458 1164498940 /nfs/dbraw/zinc/49/89/40/1164498940.db2.gz OKWVTQJVNULJKH-LSDHHAIUSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001407803772 1165321252 /nfs/dbraw/zinc/32/12/52/1165321252.db2.gz SSVIDACPBFJPRN-UHFFFAOYSA-N 2 1 324.856 2.388 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001420087187 1169152503 /nfs/dbraw/zinc/15/25/03/1169152503.db2.gz MILIVWVNDDPYRM-UKRRQHHQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)CN1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578560 1173423804 /nfs/dbraw/zinc/42/38/04/1173423804.db2.gz JQYFFIFLJXXQDQ-INIZCTEOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001440840325 1181721651 /nfs/dbraw/zinc/72/16/51/1181721651.db2.gz DHGJACVLKRHPEV-CHWSQXEVSA-N 2 1 312.845 2.242 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001444880883 1183617489 /nfs/dbraw/zinc/61/74/89/1183617489.db2.gz AJBZHYCZAJVTPI-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001449013499 1185486998 /nfs/dbraw/zinc/48/69/98/1185486998.db2.gz NFOGOWZALYMZHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001449013499 1185487002 /nfs/dbraw/zinc/48/70/02/1185487002.db2.gz NFOGOWZALYMZHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001332100677 1149820125 /nfs/dbraw/zinc/82/01/25/1149820125.db2.gz PDOLKQQLXCYCMJ-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001332100677 1149820127 /nfs/dbraw/zinc/82/01/27/1149820127.db2.gz PDOLKQQLXCYCMJ-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001332100677 1149820130 /nfs/dbraw/zinc/82/01/30/1149820130.db2.gz PDOLKQQLXCYCMJ-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001332100677 1149820131 /nfs/dbraw/zinc/82/01/31/1149820131.db2.gz PDOLKQQLXCYCMJ-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001332149085 1149825915 /nfs/dbraw/zinc/82/59/15/1149825915.db2.gz SWKJAEDNUGUHIR-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332206084 1149835200 /nfs/dbraw/zinc/83/52/00/1149835200.db2.gz MUFQDSHTHVRRBJ-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332206084 1149835204 /nfs/dbraw/zinc/83/52/04/1149835204.db2.gz MUFQDSHTHVRRBJ-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257048 782384757 /nfs/dbraw/zinc/38/47/57/782384757.db2.gz VGAFUOOZANDJQI-IAGOWNOFSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332398996 1149856930 /nfs/dbraw/zinc/85/69/30/1149856930.db2.gz QGRIKHTVTLCPSN-ZBFHGGJFSA-N 2 1 318.465 2.373 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001333364179 1150040341 /nfs/dbraw/zinc/04/03/41/1150040341.db2.gz FHMGRHAUJLXFIR-UHFFFAOYSA-N 2 1 317.477 2.329 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727373 782890209 /nfs/dbraw/zinc/89/02/09/782890209.db2.gz LCFCGRGTSGLMQG-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045431 /nfs/dbraw/zinc/04/54/31/1150045431.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045433 /nfs/dbraw/zinc/04/54/33/1150045433.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001333398525 1150045436 /nfs/dbraw/zinc/04/54/36/1150045436.db2.gz AHJQIHNFERVFHO-SJORKVTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106772884 782928777 /nfs/dbraw/zinc/92/87/77/782928777.db2.gz XNQAMUHEUIGBTB-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473857 783146357 /nfs/dbraw/zinc/14/63/57/783146357.db2.gz OUPFYFIKJWCXBW-HOCLYGCPSA-N 2 1 324.428 2.249 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159172 /nfs/dbraw/zinc/15/91/72/783159172.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159175 /nfs/dbraw/zinc/15/91/75/783159175.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493166 783159181 /nfs/dbraw/zinc/15/91/81/783159181.db2.gz UOAWKFUXKXMXBM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573139 777917910 /nfs/dbraw/zinc/91/79/10/777917910.db2.gz JAYAEJHBQMNYAO-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749643 779437219 /nfs/dbraw/zinc/43/72/19/779437219.db2.gz SSINYOZKAPTJPR-RCCFBDPRSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999625 779624922 /nfs/dbraw/zinc/62/49/22/779624922.db2.gz UVNRUFFPWREMPE-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999625 779624924 /nfs/dbraw/zinc/62/49/24/779624924.db2.gz UVNRUFFPWREMPE-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999625 779624930 /nfs/dbraw/zinc/62/49/30/779624930.db2.gz UVNRUFFPWREMPE-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109673 779706955 /nfs/dbraw/zinc/70/69/55/779706955.db2.gz RQWDATIJLXPABA-IKGGRYGDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985519302 779884297 /nfs/dbraw/zinc/88/42/97/779884297.db2.gz UBQBKOUXTGMLRT-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519302 779884306 /nfs/dbraw/zinc/88/43/06/779884306.db2.gz UBQBKOUXTGMLRT-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519302 779884314 /nfs/dbraw/zinc/88/43/14/779884314.db2.gz UBQBKOUXTGMLRT-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395046 780067746 /nfs/dbraw/zinc/06/77/46/780067746.db2.gz WBHNVYQNTNOZDU-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424670 780107001 /nfs/dbraw/zinc/10/70/01/780107001.db2.gz CLDZQDXHFCPINF-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001088426936 780110078 /nfs/dbraw/zinc/11/00/78/780110078.db2.gz JLSFKHGCAKJLPZ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088429957 780113760 /nfs/dbraw/zinc/11/37/60/780113760.db2.gz DZGSEVHANPTTMP-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426397 780119593 /nfs/dbraw/zinc/11/95/93/780119593.db2.gz JPYIKCKIVLORMH-JKSUJKDBSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168137007 780211152 /nfs/dbraw/zinc/21/11/52/780211152.db2.gz KYHVGCSJDCTQLX-CVEARBPZSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075906556 780533323 /nfs/dbraw/zinc/53/33/23/780533323.db2.gz QBLAMRDYHDWXRI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906556 780533328 /nfs/dbraw/zinc/53/33/28/780533328.db2.gz QBLAMRDYHDWXRI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906556 780533334 /nfs/dbraw/zinc/53/33/34/780533334.db2.gz QBLAMRDYHDWXRI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001091112238 790911060 /nfs/dbraw/zinc/91/10/60/790911060.db2.gz MMVDKIURUHHPOQ-OFLPRAFFSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642053 783313155 /nfs/dbraw/zinc/31/31/55/783313155.db2.gz AELAIWMFSXXULP-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659379 783331506 /nfs/dbraw/zinc/33/15/06/783331506.db2.gz ZDCPYOITRKCJCW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659379 783331518 /nfs/dbraw/zinc/33/15/18/783331518.db2.gz ZDCPYOITRKCJCW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659379 783331527 /nfs/dbraw/zinc/33/15/27/783331527.db2.gz ZDCPYOITRKCJCW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659379 783331540 /nfs/dbraw/zinc/33/15/40/783331540.db2.gz ZDCPYOITRKCJCW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659379 783331550 /nfs/dbraw/zinc/33/15/50/783331550.db2.gz ZDCPYOITRKCJCW-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948554621 783500288 /nfs/dbraw/zinc/50/02/88/783500288.db2.gz XOSBQGRBEFJQDO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948554621 783500294 /nfs/dbraw/zinc/50/02/94/783500294.db2.gz XOSBQGRBEFJQDO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948554621 783500298 /nfs/dbraw/zinc/50/02/98/783500298.db2.gz XOSBQGRBEFJQDO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225514 783590409 /nfs/dbraw/zinc/59/04/09/783590409.db2.gz ZKSDVUQLZOYUMM-GVDBMIGSSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085638877 783914732 /nfs/dbraw/zinc/91/47/32/783914732.db2.gz CEXZOVYRPOAZDI-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085638877 783914737 /nfs/dbraw/zinc/91/47/37/783914737.db2.gz CEXZOVYRPOAZDI-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085638877 783914746 /nfs/dbraw/zinc/91/47/46/783914746.db2.gz CEXZOVYRPOAZDI-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778819 784066815 /nfs/dbraw/zinc/06/68/15/784066815.db2.gz IEXYDOOGEDZXGL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778819 784066822 /nfs/dbraw/zinc/06/68/22/784066822.db2.gz IEXYDOOGEDZXGL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778819 784066827 /nfs/dbraw/zinc/06/68/27/784066827.db2.gz IEXYDOOGEDZXGL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085783045 784074744 /nfs/dbraw/zinc/07/47/44/784074744.db2.gz LMPLFIMDZSHCLE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783045 784074752 /nfs/dbraw/zinc/07/47/52/784074752.db2.gz LMPLFIMDZSHCLE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783045 784074759 /nfs/dbraw/zinc/07/47/59/784074759.db2.gz LMPLFIMDZSHCLE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086107499 784414410 /nfs/dbraw/zinc/41/44/10/784414410.db2.gz XQVBTNHAVUMSPL-SOLBZPMBSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919842 784649851 /nfs/dbraw/zinc/64/98/51/784649851.db2.gz LZAZHRBOKSYGTC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919842 784649857 /nfs/dbraw/zinc/64/98/57/784649857.db2.gz LZAZHRBOKSYGTC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919842 784649862 /nfs/dbraw/zinc/64/98/62/784649862.db2.gz LZAZHRBOKSYGTC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919842 784649869 /nfs/dbraw/zinc/64/98/69/784649869.db2.gz LZAZHRBOKSYGTC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001169155246 785071631 /nfs/dbraw/zinc/07/16/31/785071631.db2.gz LPNQCPMKXCSAIA-DZFIZOCASA-N 2 1 310.445 2.305 20 30 DEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(C#N)c3)CC1)C2 ZINC001169155246 785071639 /nfs/dbraw/zinc/07/16/39/785071639.db2.gz LPNQCPMKXCSAIA-DZFIZOCASA-N 2 1 310.445 2.305 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008299117 785166923 /nfs/dbraw/zinc/16/69/23/785166923.db2.gz NKUDBADGDYBEMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001008299117 785166926 /nfs/dbraw/zinc/16/69/26/785166926.db2.gz NKUDBADGDYBEMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001008299117 785166927 /nfs/dbraw/zinc/16/69/27/785166927.db2.gz NKUDBADGDYBEMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109307325 785796768 /nfs/dbraw/zinc/79/67/68/785796768.db2.gz FWGSZJZMRSRDPM-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109307325 785796771 /nfs/dbraw/zinc/79/67/71/785796771.db2.gz FWGSZJZMRSRDPM-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109307325 785796778 /nfs/dbraw/zinc/79/67/78/785796778.db2.gz FWGSZJZMRSRDPM-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171253412 791144727 /nfs/dbraw/zinc/14/47/27/791144727.db2.gz CUQZNSKVMKJZGB-DLBZAZTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567568 786160751 /nfs/dbraw/zinc/16/07/51/786160751.db2.gz WYCAISARETUGLE-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141025 787945983 /nfs/dbraw/zinc/94/59/83/787945983.db2.gz OBNWCLUBYSWGHZ-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141025 787945988 /nfs/dbraw/zinc/94/59/88/787945988.db2.gz OBNWCLUBYSWGHZ-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141025 787945992 /nfs/dbraw/zinc/94/59/92/787945992.db2.gz OBNWCLUBYSWGHZ-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141025 787945998 /nfs/dbraw/zinc/94/59/98/787945998.db2.gz OBNWCLUBYSWGHZ-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549485 787953118 /nfs/dbraw/zinc/95/31/18/787953118.db2.gz GEKQOMLFYUCWMY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398892 788084137 /nfs/dbraw/zinc/08/41/37/788084137.db2.gz NHNDQKYPJRHBJW-XYPHTWIQSA-N 2 1 310.401 2.164 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097718256 788195494 /nfs/dbraw/zinc/19/54/94/788195494.db2.gz BGGLHPQRTKRPSE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718256 788195499 /nfs/dbraw/zinc/19/54/99/788195499.db2.gz BGGLHPQRTKRPSE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718256 788195506 /nfs/dbraw/zinc/19/55/06/788195506.db2.gz BGGLHPQRTKRPSE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097775501 788218707 /nfs/dbraw/zinc/21/87/07/788218707.db2.gz MDSLQYZYMHSPOI-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123043 788287926 /nfs/dbraw/zinc/28/79/26/788287926.db2.gz XYZDCMADVARUMQ-DLBZAZTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133275142 788346462 /nfs/dbraw/zinc/34/64/62/788346462.db2.gz PYDFZMGELREGFD-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170752243 788939778 /nfs/dbraw/zinc/93/97/78/788939778.db2.gz YRUQTEBJPPJLOX-SJORKVTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103177 789198866 /nfs/dbraw/zinc/19/88/66/789198866.db2.gz XJZNNYKNFOUHGE-DLBZAZTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584132 789403550 /nfs/dbraw/zinc/40/35/50/789403550.db2.gz KLIBJVIQOQGZJN-CABCVRRESA-N 2 1 306.454 2.456 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873449 789952817 /nfs/dbraw/zinc/95/28/17/789952817.db2.gz WNKMOCJKWLEGTQ-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072798952 790249743 /nfs/dbraw/zinc/24/97/43/790249743.db2.gz CHXSFODGYTYKIS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072798952 790249748 /nfs/dbraw/zinc/24/97/48/790249748.db2.gz CHXSFODGYTYKIS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072798952 790249753 /nfs/dbraw/zinc/24/97/53/790249753.db2.gz CHXSFODGYTYKIS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813202 790256576 /nfs/dbraw/zinc/25/65/76/790256576.db2.gz IJMWBUZXMGGLOT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813202 790256581 /nfs/dbraw/zinc/25/65/81/790256581.db2.gz IJMWBUZXMGGLOT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813202 790256585 /nfs/dbraw/zinc/25/65/85/790256585.db2.gz IJMWBUZXMGGLOT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285351 791729857 /nfs/dbraw/zinc/72/98/57/791729857.db2.gz PZDSXHJXHIMVFD-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748408 791799926 /nfs/dbraw/zinc/79/99/26/791799926.db2.gz RQDIHTMIVVZZHI-QGZVFWFLSA-N 2 1 321.509 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748408 791799929 /nfs/dbraw/zinc/79/99/29/791799929.db2.gz RQDIHTMIVVZZHI-QGZVFWFLSA-N 2 1 321.509 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748408 791799933 /nfs/dbraw/zinc/79/99/33/791799933.db2.gz RQDIHTMIVVZZHI-QGZVFWFLSA-N 2 1 321.509 2.443 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856491 791894251 /nfs/dbraw/zinc/89/42/51/791894251.db2.gz SYKOXMXCAXOIQR-APWZRJJASA-N 2 1 324.428 2.304 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107244 792098177 /nfs/dbraw/zinc/09/81/77/792098177.db2.gz XEUVIGSHUPLDIC-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107244 792098184 /nfs/dbraw/zinc/09/81/84/792098184.db2.gz XEUVIGSHUPLDIC-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115872 792101989 /nfs/dbraw/zinc/10/19/89/792101989.db2.gz KWEYCTJJBMBXFW-SJORKVTESA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676385 792108778 /nfs/dbraw/zinc/10/87/78/792108778.db2.gz WBYWDAURZJWOKQ-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676385 792108783 /nfs/dbraw/zinc/10/87/83/792108783.db2.gz WBYWDAURZJWOKQ-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236203 792145818 /nfs/dbraw/zinc/14/58/18/792145818.db2.gz WZIYPRDBWPTTJN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236203 792145825 /nfs/dbraw/zinc/14/58/25/792145825.db2.gz WZIYPRDBWPTTJN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236203 792145831 /nfs/dbraw/zinc/14/58/31/792145831.db2.gz WZIYPRDBWPTTJN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093218235 792293597 /nfs/dbraw/zinc/29/35/97/792293597.db2.gz PDUBNTZVOWJPBG-CRAIPNDOSA-N 2 1 315.461 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418642 792638312 /nfs/dbraw/zinc/63/83/12/792638312.db2.gz DGWFPIAFKDCXHZ-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509715 792694910 /nfs/dbraw/zinc/69/49/10/792694910.db2.gz VMXDKNCYHJASTR-IUDNXUCKSA-N 2 1 304.438 2.031 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400358 793144677 /nfs/dbraw/zinc/14/46/77/793144677.db2.gz SOZUXUTYTJPDFC-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418168 793149488 /nfs/dbraw/zinc/14/94/88/793149488.db2.gz CRFXDVSWXXCAES-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418168 793149495 /nfs/dbraw/zinc/14/94/95/793149495.db2.gz CRFXDVSWXXCAES-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418168 793149501 /nfs/dbraw/zinc/14/95/01/793149501.db2.gz CRFXDVSWXXCAES-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474419 793171852 /nfs/dbraw/zinc/17/18/52/793171852.db2.gz YJGLGLYNJBMCHZ-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588528 793252312 /nfs/dbraw/zinc/25/23/12/793252312.db2.gz QNUOFKHRYRSACX-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061974 793492188 /nfs/dbraw/zinc/49/21/88/793492188.db2.gz PLFDVHBMEXOLKS-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061974 793492191 /nfs/dbraw/zinc/49/21/91/793492191.db2.gz PLFDVHBMEXOLKS-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061974 793492194 /nfs/dbraw/zinc/49/21/94/793492194.db2.gz PLFDVHBMEXOLKS-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472191 793625508 /nfs/dbraw/zinc/62/55/08/793625508.db2.gz NIYSVNQSJWXEJF-KURKYZTESA-N 2 1 321.509 2.060 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480066 793628456 /nfs/dbraw/zinc/62/84/56/793628456.db2.gz VOMUHXFHTUMIDI-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515425 793637938 /nfs/dbraw/zinc/63/79/38/793637938.db2.gz SCOCEYURCHDRHH-BRWVUGGUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085037 793934655 /nfs/dbraw/zinc/93/46/55/793934655.db2.gz BKOAWDBKHNSYRM-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085037 793934659 /nfs/dbraw/zinc/93/46/59/793934659.db2.gz BKOAWDBKHNSYRM-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882788 794083107 /nfs/dbraw/zinc/08/31/07/794083107.db2.gz XHTLQFHYWDXFAB-DLBZAZTESA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439668 794094125 /nfs/dbraw/zinc/09/41/25/794094125.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439668 794094129 /nfs/dbraw/zinc/09/41/29/794094129.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439668 794094137 /nfs/dbraw/zinc/09/41/37/794094137.db2.gz NXDVJJBWOMERCB-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723735 794202661 /nfs/dbraw/zinc/20/26/61/794202661.db2.gz ZRQCRWBOUWKGOJ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164323 794375118 /nfs/dbraw/zinc/37/51/18/794375118.db2.gz AJNNXBGJODDVCJ-GJZGRUSLSA-N 2 1 315.889 2.345 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001178722679 794973548 /nfs/dbraw/zinc/97/35/48/794973548.db2.gz NFWFPXVLNWSSLC-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC=C(C)C ZINC001178722679 794973560 /nfs/dbraw/zinc/97/35/60/794973560.db2.gz NFWFPXVLNWSSLC-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688803 794974989 /nfs/dbraw/zinc/97/49/89/794974989.db2.gz OGEWOUUWUCABNJ-KRWDZBQOSA-N 2 1 309.498 2.417 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811385 795002304 /nfs/dbraw/zinc/00/23/04/795002304.db2.gz UEARESFVMZLCBD-QZTJIDSGSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811123 795003057 /nfs/dbraw/zinc/00/30/57/795003057.db2.gz RILQKCYOLCMCML-ZWKOTPCHSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120140291 795411145 /nfs/dbraw/zinc/41/11/45/795411145.db2.gz ADXBXPWPBIZNHW-UHFFFAOYSA-N 2 1 324.856 2.353 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423231 795456887 /nfs/dbraw/zinc/45/68/87/795456887.db2.gz SEYCJLPTORCFID-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469194 795466788 /nfs/dbraw/zinc/46/67/88/795466788.db2.gz IFLIOGZNAHNGAW-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469194 795466790 /nfs/dbraw/zinc/46/67/90/795466790.db2.gz IFLIOGZNAHNGAW-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470996 795467333 /nfs/dbraw/zinc/46/73/33/795467333.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470996 795467338 /nfs/dbraw/zinc/46/73/38/795467338.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470996 795467343 /nfs/dbraw/zinc/46/73/43/795467343.db2.gz VEPGDOZPGAOTPK-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120834843 795540019 /nfs/dbraw/zinc/54/00/19/795540019.db2.gz OCXHEXVMDJAGAO-VFIJXHPYSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589303 795711596 /nfs/dbraw/zinc/71/15/96/795711596.db2.gz BYWAUNJWFULELC-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614140 795722505 /nfs/dbraw/zinc/72/25/05/795722505.db2.gz CBOCNOVSDUBBOA-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203026686 796511757 /nfs/dbraw/zinc/51/17/57/796511757.db2.gz AMBXPDVIJJNXQT-HOTGVXAUSA-N 2 1 305.466 2.064 20 30 DEEDMP CSc1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1C#N ZINC001141938884 796699107 /nfs/dbraw/zinc/69/91/07/796699107.db2.gz JSHGPXRULVGFLN-UHFFFAOYSA-N 2 1 304.463 2.449 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189061761 796762134 /nfs/dbraw/zinc/76/21/34/796762134.db2.gz KYZISDDLPIUCJL-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189892070 796906038 /nfs/dbraw/zinc/90/60/38/796906038.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189892070 796906042 /nfs/dbraw/zinc/90/60/42/796906042.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189892070 796906045 /nfs/dbraw/zinc/90/60/45/796906045.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189892070 796906048 /nfs/dbraw/zinc/90/60/48/796906048.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189892070 796906052 /nfs/dbraw/zinc/90/60/52/796906052.db2.gz XDBOYXQAGAUSMB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324333 796980461 /nfs/dbraw/zinc/98/04/61/796980461.db2.gz KNRLNCYAFWRDEB-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029471 797125699 /nfs/dbraw/zinc/12/56/99/797125699.db2.gz JCAAIENVNKXGAL-QGZVFWFLSA-N 2 1 316.449 2.017 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167698 797477237 /nfs/dbraw/zinc/47/72/37/797477237.db2.gz QLSWWBRFPHELQC-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193381943 797556409 /nfs/dbraw/zinc/55/64/09/797556409.db2.gz CLWINHGAMMNSHG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193381943 797556415 /nfs/dbraw/zinc/55/64/15/797556415.db2.gz CLWINHGAMMNSHG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193381943 797556418 /nfs/dbraw/zinc/55/64/18/797556418.db2.gz CLWINHGAMMNSHG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488170 797574249 /nfs/dbraw/zinc/57/42/49/797574249.db2.gz LQGRCIXQXJOAJK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228215 797696435 /nfs/dbraw/zinc/69/64/35/797696435.db2.gz PSKJHTPSLHXUNS-HNNXBMFYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228215 797696436 /nfs/dbraw/zinc/69/64/36/797696436.db2.gz PSKJHTPSLHXUNS-HNNXBMFYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197158188 798157617 /nfs/dbraw/zinc/15/76/17/798157617.db2.gz KJQCWERMCBUOTH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001197158188 798157619 /nfs/dbraw/zinc/15/76/19/798157619.db2.gz KJQCWERMCBUOTH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001197158188 798157621 /nfs/dbraw/zinc/15/76/21/798157621.db2.gz KJQCWERMCBUOTH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396645 798181581 /nfs/dbraw/zinc/18/15/81/798181581.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396645 798181584 /nfs/dbraw/zinc/18/15/84/798181584.db2.gz IIFVGGROUXELLV-HNNXBMFYSA-N 2 1 304.438 2.089 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ncc[nH]1)C2 ZINC001110511397 798350480 /nfs/dbraw/zinc/35/04/80/798350480.db2.gz BEMBVGUFQOFUBH-KFWWJZLASA-N 2 1 302.422 2.030 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577803 798652884 /nfs/dbraw/zinc/65/28/84/798652884.db2.gz HHSBIWZDXSVTRP-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001160197782 798661032 /nfs/dbraw/zinc/66/10/32/798661032.db2.gz GKXYRFSNDHFPPR-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCCC1 ZINC001160197782 798661035 /nfs/dbraw/zinc/66/10/35/798661035.db2.gz GKXYRFSNDHFPPR-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160500417 798695975 /nfs/dbraw/zinc/69/59/75/798695975.db2.gz NSKICGSZMTYJFC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500417 798695977 /nfs/dbraw/zinc/69/59/77/798695977.db2.gz NSKICGSZMTYJFC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500417 798695980 /nfs/dbraw/zinc/69/59/80/798695980.db2.gz NSKICGSZMTYJFC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400540 798747780 /nfs/dbraw/zinc/74/77/80/798747780.db2.gz RCJYHXLLJGYYEC-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378486 798748337 /nfs/dbraw/zinc/74/83/37/798748337.db2.gz MEGATEAMOJWIFZ-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP COCCC1(CNc2[nH+]ccc3[nH]cc(C#N)c32)CC[NH2+]CC1 ZINC001161502711 798872950 /nfs/dbraw/zinc/87/29/50/798872950.db2.gz HXYQEPQCXRPFPK-UHFFFAOYSA-N 2 1 313.405 2.253 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161863442 798951682 /nfs/dbraw/zinc/95/16/82/798951682.db2.gz QFYBMOREVPVMLM-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161863442 798951684 /nfs/dbraw/zinc/95/16/84/798951684.db2.gz QFYBMOREVPVMLM-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161863442 798951689 /nfs/dbraw/zinc/95/16/89/798951689.db2.gz QFYBMOREVPVMLM-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667843 798954060 /nfs/dbraw/zinc/95/40/60/798954060.db2.gz MRQIQCPKHSTIIH-NCOADZHNSA-N 2 1 305.466 2.014 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409228 799093443 /nfs/dbraw/zinc/09/34/43/799093443.db2.gz IIPHFNDKJWTBSI-VSZNYVQBSA-N 2 1 321.509 2.343 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501070 799610299 /nfs/dbraw/zinc/61/02/99/799610299.db2.gz QEWPGVZSOBSDLD-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533936 799650375 /nfs/dbraw/zinc/65/03/75/799650375.db2.gz UOWLYXSFCFKZEV-VSZNYVQBSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533936 799650380 /nfs/dbraw/zinc/65/03/80/799650380.db2.gz UOWLYXSFCFKZEV-VSZNYVQBSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533936 799650383 /nfs/dbraw/zinc/65/03/83/799650383.db2.gz UOWLYXSFCFKZEV-VSZNYVQBSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606275 799669779 /nfs/dbraw/zinc/66/97/79/799669779.db2.gz ZTTDWLMQCLDXAQ-IKGGRYGDSA-N 2 1 317.477 2.160 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001165472551 799735662 /nfs/dbraw/zinc/73/56/62/799735662.db2.gz MSDPAYRPUUZRTN-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018115 799833234 /nfs/dbraw/zinc/83/32/34/799833234.db2.gz JWJOHVJKMSUALP-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699590 799925162 /nfs/dbraw/zinc/92/51/62/799925162.db2.gz RTOCBECDFAINJD-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732223 800114477 /nfs/dbraw/zinc/11/44/77/800114477.db2.gz XMPGCFZPRNUTEB-JKSUJKDBSA-N 2 1 316.449 2.175 20 30 DEEDMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607261 800137083 /nfs/dbraw/zinc/13/70/83/800137083.db2.gz OLWFWBVZENJNKU-GOSISDBHSA-N 2 1 301.434 2.050 20 30 DEEDMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607261 800137085 /nfs/dbraw/zinc/13/70/85/800137085.db2.gz OLWFWBVZENJNKU-GOSISDBHSA-N 2 1 301.434 2.050 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919436 800146193 /nfs/dbraw/zinc/14/61/93/800146193.db2.gz QMKJAQITTAULMF-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518607 800366940 /nfs/dbraw/zinc/36/69/40/800366940.db2.gz DKOFYPYNMMZVSH-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519127 800367941 /nfs/dbraw/zinc/36/79/41/800367941.db2.gz WOGPMDDHUUMARC-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP CSc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1C#N ZINC001205627576 800390133 /nfs/dbraw/zinc/39/01/33/800390133.db2.gz QXQVFGPOIXQZAY-OLZOCXBDSA-N 2 1 304.463 2.482 20 30 DEEDMP C#Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000934922396 800499061 /nfs/dbraw/zinc/49/90/61/800499061.db2.gz JRPFIGQHNBJLQN-HNNXBMFYSA-N 2 1 316.449 2.061 20 30 DEEDMP C#Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000934922396 800499064 /nfs/dbraw/zinc/49/90/64/800499064.db2.gz JRPFIGQHNBJLQN-HNNXBMFYSA-N 2 1 316.449 2.061 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547112 800552016 /nfs/dbraw/zinc/55/20/16/800552016.db2.gz CZXVUQIOGSGIEB-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928940 800631609 /nfs/dbraw/zinc/63/16/09/800631609.db2.gz NZIMHCUWXRHXDW-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOCc1ncn2c1C[N@@H+](CC1CC[NH+](C)CC1)CCC2 ZINC001207396757 800743431 /nfs/dbraw/zinc/74/34/31/800743431.db2.gz STUBFZGVTQVVIC-UHFFFAOYSA-N 2 1 318.465 2.133 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567847 800781229 /nfs/dbraw/zinc/78/12/29/800781229.db2.gz CHJZVPPHUGKSIG-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567847 800781233 /nfs/dbraw/zinc/78/12/33/800781233.db2.gz CHJZVPPHUGKSIG-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567847 800781237 /nfs/dbraw/zinc/78/12/37/800781237.db2.gz CHJZVPPHUGKSIG-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334748 800957845 /nfs/dbraw/zinc/95/78/45/800957845.db2.gz LXHSAIPXKMWMPI-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209149717 801136636 /nfs/dbraw/zinc/13/66/36/801136636.db2.gz CSFRLOAJGHFLMA-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209149717 801136640 /nfs/dbraw/zinc/13/66/40/801136640.db2.gz CSFRLOAJGHFLMA-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209149717 801136643 /nfs/dbraw/zinc/13/66/43/801136643.db2.gz CSFRLOAJGHFLMA-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206128 801151358 /nfs/dbraw/zinc/15/13/58/801151358.db2.gz YAIDKWKZBABBND-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950267 801312108 /nfs/dbraw/zinc/31/21/08/801312108.db2.gz DMKZEYRUMIWQDB-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP N#Cc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1F ZINC001210266664 801363456 /nfs/dbraw/zinc/36/34/56/801363456.db2.gz PJLDGWMFPJLTNG-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001230141582 801365481 /nfs/dbraw/zinc/36/54/81/801365481.db2.gz BFPTZOBEWMVOQF-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262832 801378800 /nfs/dbraw/zinc/37/88/00/801378800.db2.gz UXOPLHCONFBPPZ-INIZCTEOSA-N 2 1 309.498 2.489 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618402 801438130 /nfs/dbraw/zinc/43/81/30/801438130.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618402 801438136 /nfs/dbraw/zinc/43/81/36/801438136.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618402 801438141 /nfs/dbraw/zinc/43/81/41/801438141.db2.gz MMDDBBIYZXLFBS-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211350006 801550727 /nfs/dbraw/zinc/55/07/27/801550727.db2.gz MHMNJMCTARRIBY-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367098 801555561 /nfs/dbraw/zinc/55/55/61/801555561.db2.gz NXVCZWKMJKJLEA-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375838 801556838 /nfs/dbraw/zinc/55/68/38/801556838.db2.gz AWKSDPXNHVOWKK-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216752424 802021946 /nfs/dbraw/zinc/02/19/46/802021946.db2.gz OFPFYTXGOWKBJG-BRWVUGGUSA-N 2 1 309.498 2.345 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962674 802629659 /nfs/dbraw/zinc/62/96/59/802629659.db2.gz PHYLWPPAKDQSDY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1c(N)sc(C[NH+]2CCC(F)(C[NH3+])CC2)c1Cl ZINC001222542830 802704125 /nfs/dbraw/zinc/70/41/25/802704125.db2.gz KQOJLSNWJANSBV-UHFFFAOYSA-N 2 1 302.806 2.118 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223024152 802759508 /nfs/dbraw/zinc/75/95/08/802759508.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223024152 802759512 /nfs/dbraw/zinc/75/95/12/802759512.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223024152 802759515 /nfs/dbraw/zinc/75/95/15/802759515.db2.gz SULSIZDEPZMHPP-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223472881 802792856 /nfs/dbraw/zinc/79/28/56/802792856.db2.gz XIVFYLBHQVDZPT-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500932 802796209 /nfs/dbraw/zinc/79/62/09/802796209.db2.gz ZIAKJRBCTUWZRV-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500932 802796213 /nfs/dbraw/zinc/79/62/13/802796213.db2.gz ZIAKJRBCTUWZRV-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001223500932 802796215 /nfs/dbraw/zinc/79/62/15/802796215.db2.gz ZIAKJRBCTUWZRV-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683012 802808253 /nfs/dbraw/zinc/80/82/53/802808253.db2.gz AUOSJPAYJPLTLC-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223683012 802808259 /nfs/dbraw/zinc/80/82/59/802808259.db2.gz AUOSJPAYJPLTLC-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227329 802848766 /nfs/dbraw/zinc/84/87/66/802848766.db2.gz HVLZNHMPLLFQAK-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224854485 802910632 /nfs/dbraw/zinc/91/06/32/802910632.db2.gz BCMVIBZCNQSTPW-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168025 802941391 /nfs/dbraw/zinc/94/13/91/802941391.db2.gz JXLUKCQRRINVSN-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225435957 802965887 /nfs/dbraw/zinc/96/58/87/802965887.db2.gz RHTSVLZVSOEAPB-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227833167 803286054 /nfs/dbraw/zinc/28/60/54/803286054.db2.gz UXVJSOXBMZNVEX-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228834530 803419590 /nfs/dbraw/zinc/41/95/90/803419590.db2.gz MXMIIKNJUNTYIN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001331226192 1149399517 /nfs/dbraw/zinc/39/95/17/1149399517.db2.gz OSPKZBLMGKZCKH-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001327252413 1148405224 /nfs/dbraw/zinc/40/52/24/1148405224.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327252413 1148405229 /nfs/dbraw/zinc/40/52/29/1148405229.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001327252413 1148405233 /nfs/dbraw/zinc/40/52/33/1148405233.db2.gz OXDQLTCNGHZGTQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CCCC1 ZINC001500094606 1058487350 /nfs/dbraw/zinc/48/73/50/1058487350.db2.gz DAHIFWXVGAWRMP-KRWDZBQOSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001500131181 1058513615 /nfs/dbraw/zinc/51/36/15/1058513615.db2.gz KRIKJVWFANYRKA-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001500163265 1058535217 /nfs/dbraw/zinc/53/52/17/1058535217.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500163265 1058535239 /nfs/dbraw/zinc/53/52/39/1058535239.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500163265 1058535261 /nfs/dbraw/zinc/53/52/61/1058535261.db2.gz UOFXGAUVXHCHPQ-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001500347413 1058713672 /nfs/dbraw/zinc/71/36/72/1058713672.db2.gz FRLGDGNGXUPTPT-LZLYRXPVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500501533 1058858830 /nfs/dbraw/zinc/85/88/30/1058858830.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500501533 1058858853 /nfs/dbraw/zinc/85/88/53/1058858853.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500501533 1058858881 /nfs/dbraw/zinc/85/88/81/1058858881.db2.gz BFFSWPFYKLFOOL-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001502532317 1060167128 /nfs/dbraw/zinc/16/71/28/1060167128.db2.gz OANHWOPAQXVOAI-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001502532317 1060167134 /nfs/dbraw/zinc/16/71/34/1060167134.db2.gz OANHWOPAQXVOAI-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001502532317 1060167143 /nfs/dbraw/zinc/16/71/43/1060167143.db2.gz OANHWOPAQXVOAI-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)CC ZINC001502532317 1060167152 /nfs/dbraw/zinc/16/71/52/1060167152.db2.gz OANHWOPAQXVOAI-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001502829014 1060335514 /nfs/dbraw/zinc/33/55/14/1060335514.db2.gz LXCKVTXGDKRHBF-HOTGVXAUSA-N 2 1 309.498 2.365 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001505784506 1060959897 /nfs/dbraw/zinc/95/98/97/1060959897.db2.gz LVFLEDHKLPCDPZ-VYMRPNJYSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479519467 1061487651 /nfs/dbraw/zinc/48/76/51/1061487651.db2.gz LPWYCBWUGWORRD-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479739276 1061668856 /nfs/dbraw/zinc/66/88/56/1061668856.db2.gz WNDLUXKWVOEKBL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479981325 1062141833 /nfs/dbraw/zinc/14/18/33/1062141833.db2.gz OJXNPXDFMIURAU-ZACQAIPSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001480240267 1062505146 /nfs/dbraw/zinc/50/51/46/1062505146.db2.gz WVJYUNQDSPUISP-HDICACEKSA-N 2 1 315.461 2.321 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001480240267 1062505171 /nfs/dbraw/zinc/50/51/71/1062505171.db2.gz WVJYUNQDSPUISP-HDICACEKSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480267876 1062572145 /nfs/dbraw/zinc/57/21/45/1062572145.db2.gz STARFOSSLCVIBV-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480267876 1062572169 /nfs/dbraw/zinc/57/21/69/1062572169.db2.gz STARFOSSLCVIBV-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480267876 1062572191 /nfs/dbraw/zinc/57/21/91/1062572191.db2.gz STARFOSSLCVIBV-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001506990764 1062642638 /nfs/dbraw/zinc/64/26/38/1062642638.db2.gz UCDFRSVJHGQBLA-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507014923 1062676808 /nfs/dbraw/zinc/67/68/08/1062676808.db2.gz KKLJFBSMIZBGSS-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480396126 1062798030 /nfs/dbraw/zinc/79/80/30/1062798030.db2.gz QZCPPOWEYVQDOE-NNPSNHGLSA-N 2 1 319.493 2.119 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001327271666 1148509239 /nfs/dbraw/zinc/50/92/39/1148509239.db2.gz RWXWGQWQLAWPOE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480732245 1063266933 /nfs/dbraw/zinc/26/69/33/1063266933.db2.gz BOFWIWQUOZOMMP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480732245 1063266951 /nfs/dbraw/zinc/26/69/51/1063266951.db2.gz BOFWIWQUOZOMMP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001508120470 1063564385 /nfs/dbraw/zinc/56/43/85/1063564385.db2.gz KFMIQVMOUNUDOK-UHFFFAOYSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231300 1063624449 /nfs/dbraw/zinc/62/44/49/1063624449.db2.gz XSMDMLRUCDGFQD-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001493381046 1063759134 /nfs/dbraw/zinc/75/91/34/1063759134.db2.gz MBBUUGUXMRSBBF-UHFFFAOYSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136429 1064135152 /nfs/dbraw/zinc/13/51/52/1064135152.db2.gz DDAYKLLONRBFHB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494136429 1064135156 /nfs/dbraw/zinc/13/51/56/1064135156.db2.gz DDAYKLLONRBFHB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494136429 1064135161 /nfs/dbraw/zinc/13/51/61/1064135161.db2.gz DDAYKLLONRBFHB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001494567024 1064320974 /nfs/dbraw/zinc/32/09/74/1064320974.db2.gz NRVKDWGCZWBSSY-KRWDZBQOSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001567973636 1064573722 /nfs/dbraw/zinc/57/37/22/1064573722.db2.gz JYGVXXBIULDNQF-HOTGVXAUSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001495388553 1064874149 /nfs/dbraw/zinc/87/41/49/1064874149.db2.gz RKVKRWPCETWCEE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495397502 1064880222 /nfs/dbraw/zinc/88/02/22/1064880222.db2.gz RETVFCUWAVTSCN-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001568452535 1064881467 /nfs/dbraw/zinc/88/14/67/1064881467.db2.gz GMORAAQRBMLDHN-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001568452535 1064881482 /nfs/dbraw/zinc/88/14/82/1064881482.db2.gz GMORAAQRBMLDHN-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568535575 1064947205 /nfs/dbraw/zinc/94/72/05/1064947205.db2.gz FQRVDRHVOACOAB-HZPDHXFCSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001495743748 1065088120 /nfs/dbraw/zinc/08/81/20/1065088120.db2.gz SHPSRLPYCGEKHX-ZBFHGGJFSA-N 2 1 318.465 2.062 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386058 1065482630 /nfs/dbraw/zinc/48/26/30/1065482630.db2.gz IYGASXUBDZCEMX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001569448983 1065512565 /nfs/dbraw/zinc/51/25/65/1065512565.db2.gz PJRROSOXERQYGH-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001569448983 1065512578 /nfs/dbraw/zinc/51/25/78/1065512578.db2.gz PJRROSOXERQYGH-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001569448983 1065512590 /nfs/dbraw/zinc/51/25/90/1065512590.db2.gz PJRROSOXERQYGH-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001569481202 1065533614 /nfs/dbraw/zinc/53/36/14/1065533614.db2.gz QJQCTEDBRPPDDO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569481202 1065533623 /nfs/dbraw/zinc/53/36/23/1065533623.db2.gz QJQCTEDBRPPDDO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569481202 1065533632 /nfs/dbraw/zinc/53/36/32/1065533632.db2.gz QJQCTEDBRPPDDO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920497 1065824017 /nfs/dbraw/zinc/82/40/17/1065824017.db2.gz QXTREOWRIUUURN-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570014048 1065882909 /nfs/dbraw/zinc/88/29/09/1065882909.db2.gz XDQDHJPAHCMGBJ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001570056167 1065905554 /nfs/dbraw/zinc/90/55/54/1065905554.db2.gz GLHXCMWNUVPFTE-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001570106923 1065927344 /nfs/dbraw/zinc/92/73/44/1065927344.db2.gz MUNOGXAIHFEYCL-MRXNPFEDSA-N 2 1 305.466 2.208 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001570184940 1065960453 /nfs/dbraw/zinc/96/04/53/1065960453.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)CC1 ZINC001570184940 1065960462 /nfs/dbraw/zinc/96/04/62/1065960462.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)CC1 ZINC001570184940 1065960467 /nfs/dbraw/zinc/96/04/67/1065960467.db2.gz BAKCQUYLKQITKM-SFHVURJKSA-N 2 1 321.509 2.493 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570349829 1066026087 /nfs/dbraw/zinc/02/60/87/1066026087.db2.gz UUNHYTXVVSBCFB-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001497331298 1066031568 /nfs/dbraw/zinc/03/15/68/1066031568.db2.gz LHPGKTUGYDNMTE-RDJZCZTQSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001628586158 1078299798 /nfs/dbraw/zinc/29/97/98/1078299798.db2.gz VOYOKLFJINWJOF-HOCLYGCPSA-N 2 1 321.490 2.365 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001498894708 1066944797 /nfs/dbraw/zinc/94/47/97/1066944797.db2.gz VHJWRLGZVOJQSN-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001499370849 1067199750 /nfs/dbraw/zinc/19/97/50/1067199750.db2.gz CQRALZBSTIFYTK-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001499753663 1067323813 /nfs/dbraw/zinc/32/38/13/1067323813.db2.gz LICSNXJKUGDMBX-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001580057470 1067485237 /nfs/dbraw/zinc/48/52/37/1067485237.db2.gz WIXGWPBPNVQJPZ-MRXNPFEDSA-N 2 1 317.408 2.288 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107666 1078584917 /nfs/dbraw/zinc/58/49/17/1078584917.db2.gz IUVNSKCPZNOURS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267107666 1078584922 /nfs/dbraw/zinc/58/49/22/1078584922.db2.gz IUVNSKCPZNOURS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267107666 1078584926 /nfs/dbraw/zinc/58/49/26/1078584926.db2.gz IUVNSKCPZNOURS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571118717 1068183134 /nfs/dbraw/zinc/18/31/34/1068183134.db2.gz XKKXKKYXFVUCNU-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001571352705 1068242572 /nfs/dbraw/zinc/24/25/72/1068242572.db2.gz YBKKDUMAYPZQMA-AEFFLSMTSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001571390573 1068270332 /nfs/dbraw/zinc/27/03/32/1068270332.db2.gz JIUCKHSHGGODHR-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001267254114 1078699937 /nfs/dbraw/zinc/69/99/37/1078699937.db2.gz DKJZKELXSYKRJC-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001267254114 1078699941 /nfs/dbraw/zinc/69/99/41/1078699941.db2.gz DKJZKELXSYKRJC-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001267254114 1078699945 /nfs/dbraw/zinc/69/99/45/1078699945.db2.gz DKJZKELXSYKRJC-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279631648 1078728381 /nfs/dbraw/zinc/72/83/81/1078728381.db2.gz ZVNGWHIPECVKPF-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267293144 1078739642 /nfs/dbraw/zinc/73/96/42/1078739642.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267293144 1078739649 /nfs/dbraw/zinc/73/96/49/1078739649.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267293144 1078739658 /nfs/dbraw/zinc/73/96/58/1078739658.db2.gz MNMHDLRKPWFTAK-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001267308971 1078754912 /nfs/dbraw/zinc/75/49/12/1078754912.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267308971 1078754918 /nfs/dbraw/zinc/75/49/18/1078754918.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267308971 1078754921 /nfs/dbraw/zinc/75/49/21/1078754921.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308971 1078754926 /nfs/dbraw/zinc/75/49/26/1078754926.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308971 1078754932 /nfs/dbraw/zinc/75/49/32/1078754932.db2.gz IEVYPRHMIKFXDS-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001267328192 1078767926 /nfs/dbraw/zinc/76/79/26/1078767926.db2.gz NEPLWDWWDSPTCB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267328192 1078767933 /nfs/dbraw/zinc/76/79/33/1078767933.db2.gz NEPLWDWWDSPTCB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001267328192 1078767939 /nfs/dbraw/zinc/76/79/39/1078767939.db2.gz NEPLWDWWDSPTCB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001267334870 1078773372 /nfs/dbraw/zinc/77/33/72/1078773372.db2.gz TYPPQNZPXCZPML-ZWKOTPCHSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001521462342 1069244159 /nfs/dbraw/zinc/24/41/59/1069244159.db2.gz DCMWMXWDYGQHBJ-QAPCUYQASA-N 2 1 315.461 2.233 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272477701 1078912220 /nfs/dbraw/zinc/91/22/20/1078912220.db2.gz AFHYQBHQWDPEKP-SFHVURJKSA-N 2 1 309.498 2.443 20 30 DEEDMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484058942 1079274970 /nfs/dbraw/zinc/27/49/70/1079274970.db2.gz ZILPVZWELQLLPZ-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484058942 1079274975 /nfs/dbraw/zinc/27/49/75/1079274975.db2.gz ZILPVZWELQLLPZ-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484058942 1079274977 /nfs/dbraw/zinc/27/49/77/1079274977.db2.gz ZILPVZWELQLLPZ-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484074647 1079288359 /nfs/dbraw/zinc/28/83/59/1079288359.db2.gz TWMKCBBOBQWQCB-QGZVFWFLSA-N 2 1 306.454 2.434 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001420077935 1079327862 /nfs/dbraw/zinc/32/78/62/1079327862.db2.gz CKZUTEUDXAPONN-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566122301 1075231262 /nfs/dbraw/zinc/23/12/62/1075231262.db2.gz SJNPHLNQBUTPHQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566122301 1075231266 /nfs/dbraw/zinc/23/12/66/1075231266.db2.gz SJNPHLNQBUTPHQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566122301 1075231267 /nfs/dbraw/zinc/23/12/67/1075231267.db2.gz SJNPHLNQBUTPHQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001566553506 1075279212 /nfs/dbraw/zinc/27/92/12/1075279212.db2.gz WHUIDGVVERWCIA-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001566553506 1075279214 /nfs/dbraw/zinc/27/92/14/1075279214.db2.gz WHUIDGVVERWCIA-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001566553506 1075279216 /nfs/dbraw/zinc/27/92/16/1075279216.db2.gz WHUIDGVVERWCIA-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566625477 1075299825 /nfs/dbraw/zinc/29/98/25/1075299825.db2.gz JWJLQNBIAPAZPV-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566625477 1075299828 /nfs/dbraw/zinc/29/98/28/1075299828.db2.gz JWJLQNBIAPAZPV-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566625477 1075299830 /nfs/dbraw/zinc/29/98/30/1075299830.db2.gz JWJLQNBIAPAZPV-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566878166 1075371750 /nfs/dbraw/zinc/37/17/50/1075371750.db2.gz NBSVGMBQECXAMI-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566966333 1075403010 /nfs/dbraw/zinc/40/30/10/1075403010.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966333 1075403013 /nfs/dbraw/zinc/40/30/13/1075403013.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966333 1075403016 /nfs/dbraw/zinc/40/30/16/1075403016.db2.gz UFNQJXCYUDWBIB-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445473 /nfs/dbraw/zinc/44/54/73/1079445473.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445476 /nfs/dbraw/zinc/44/54/76/1079445476.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001267745679 1079445480 /nfs/dbraw/zinc/44/54/80/1079445480.db2.gz BDOPVGSAIMSCTH-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769180 1079474677 /nfs/dbraw/zinc/47/46/77/1079474677.db2.gz AUOIDIKXXGAINT-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001267945268 1079625617 /nfs/dbraw/zinc/62/56/17/1079625617.db2.gz FAEOXDRRTRVJQC-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001267948854 1079627199 /nfs/dbraw/zinc/62/71/99/1079627199.db2.gz WPOCDQDQEKHHEM-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484527748 1079641344 /nfs/dbraw/zinc/64/13/44/1079641344.db2.gz XXWJXGNDVRMNLS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484568286 1079665326 /nfs/dbraw/zinc/66/53/26/1079665326.db2.gz HMOUEZPFQOZQFP-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001485034351 1079929565 /nfs/dbraw/zinc/92/95/65/1079929565.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001485034351 1079929571 /nfs/dbraw/zinc/92/95/71/1079929571.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001485034351 1079929574 /nfs/dbraw/zinc/92/95/74/1079929574.db2.gz XAOSKBPUUNFOGW-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485067179 1079943894 /nfs/dbraw/zinc/94/38/94/1079943894.db2.gz IZMWMCCRRNOFST-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001485067179 1079943907 /nfs/dbraw/zinc/94/39/07/1079943907.db2.gz IZMWMCCRRNOFST-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001485067179 1079943911 /nfs/dbraw/zinc/94/39/11/1079943911.db2.gz IZMWMCCRRNOFST-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489335 1079947423 /nfs/dbraw/zinc/94/74/23/1079947423.db2.gz PKXLNUFMMITTSY-IRXDYDNUSA-N 2 1 309.498 2.319 20 30 DEEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001485434131 1080205080 /nfs/dbraw/zinc/20/50/80/1080205080.db2.gz JXXHHDKOCUOBAO-ROUUACIJSA-N 2 1 321.509 2.203 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268283054 1080262218 /nfs/dbraw/zinc/26/22/18/1080262218.db2.gz UULGINAQZODAMZ-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001485658364 1080350763 /nfs/dbraw/zinc/35/07/63/1080350763.db2.gz SFDJAPGYLUMQDQ-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494054526 1080371073 /nfs/dbraw/zinc/37/10/73/1080371073.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054526 1080371082 /nfs/dbraw/zinc/37/10/82/1080371082.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054526 1080371093 /nfs/dbraw/zinc/37/10/93/1080371093.db2.gz KMNPSTYBGUGCIQ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001485740143 1080402294 /nfs/dbraw/zinc/40/22/94/1080402294.db2.gz HYQVTDYIMRZOLD-SJORKVTESA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001661235832 1080460312 /nfs/dbraw/zinc/46/03/12/1080460312.db2.gz PPDYHPYKWUDKJM-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099539149 1080464815 /nfs/dbraw/zinc/46/48/15/1080464815.db2.gz ZJIIKLWMTNWINW-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001661510759 1080488617 /nfs/dbraw/zinc/48/86/17/1080488617.db2.gz HXDFTFHOJYAGTG-KZNAEPCWSA-N 2 1 315.461 2.492 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986448 1080494167 /nfs/dbraw/zinc/49/41/67/1080494167.db2.gz PRVUGXXPPLOADY-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001661690869 1080507419 /nfs/dbraw/zinc/50/74/19/1080507419.db2.gz WKCVBYLDOFUGLI-KSZLIROESA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001661929671 1080546674 /nfs/dbraw/zinc/54/66/74/1080546674.db2.gz ISKYVHXPYPLVFW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001662129786 1080571798 /nfs/dbraw/zinc/57/17/98/1080571798.db2.gz BURFVAQVZXPMHZ-UHFFFAOYSA-N 2 1 316.449 2.047 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001481900299 1080590919 /nfs/dbraw/zinc/59/09/19/1080590919.db2.gz SYUNKLWEFJWQEB-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662690652 1080634803 /nfs/dbraw/zinc/63/48/03/1080634803.db2.gz JDBGCINLUQAZSI-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001663507695 1080762691 /nfs/dbraw/zinc/76/26/91/1080762691.db2.gz CBLNYZIPADRNDL-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001663507695 1080762698 /nfs/dbraw/zinc/76/26/98/1080762698.db2.gz CBLNYZIPADRNDL-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001663507695 1080762708 /nfs/dbraw/zinc/76/27/08/1080762708.db2.gz CBLNYZIPADRNDL-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001482061231 1080765801 /nfs/dbraw/zinc/76/58/01/1080765801.db2.gz XDWZSLXGPLDASR-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001664467140 1080913759 /nfs/dbraw/zinc/91/37/59/1080913759.db2.gz FUCLLZWURDFWRG-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940334 /nfs/dbraw/zinc/94/03/34/1080940334.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940338 /nfs/dbraw/zinc/94/03/38/1080940338.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001664677398 1080940341 /nfs/dbraw/zinc/94/03/41/1080940341.db2.gz ADYAVHMFAXAHAM-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664818265 1080966145 /nfs/dbraw/zinc/96/61/45/1080966145.db2.gz RKFXCOMRHKPMER-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818265 1080966156 /nfs/dbraw/zinc/96/61/56/1080966156.db2.gz RKFXCOMRHKPMER-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818265 1080966161 /nfs/dbraw/zinc/96/61/61/1080966161.db2.gz RKFXCOMRHKPMER-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001665731375 1081072442 /nfs/dbraw/zinc/07/24/42/1081072442.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001665731375 1081072450 /nfs/dbraw/zinc/07/24/50/1081072450.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001665731375 1081072456 /nfs/dbraw/zinc/07/24/56/1081072456.db2.gz LFZWVEXMUFAANN-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001666054811 1081116415 /nfs/dbraw/zinc/11/64/15/1081116415.db2.gz FNQMFSYDKDYTOU-CRAIPNDOSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667129228 1081213993 /nfs/dbraw/zinc/21/39/93/1081213993.db2.gz CXYVPINRYHLEDY-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001482222461 1081259881 /nfs/dbraw/zinc/25/98/81/1081259881.db2.gz LRBKJSKSPAYODY-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001667648195 1081271755 /nfs/dbraw/zinc/27/17/55/1081271755.db2.gz YCRGLMIYRVIHFT-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111309717 1081293065 /nfs/dbraw/zinc/29/30/65/1081293065.db2.gz WDAPJCQEGMBXEA-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309717 1081293067 /nfs/dbraw/zinc/29/30/67/1081293067.db2.gz WDAPJCQEGMBXEA-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309717 1081293071 /nfs/dbraw/zinc/29/30/71/1081293071.db2.gz WDAPJCQEGMBXEA-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309633 /nfs/dbraw/zinc/30/96/33/1081309633.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309639 /nfs/dbraw/zinc/30/96/39/1081309639.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001269611577 1081309645 /nfs/dbraw/zinc/30/96/45/1081309645.db2.gz MXVCCBALIFWRCZ-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668321109 1081341282 /nfs/dbraw/zinc/34/12/82/1081341282.db2.gz WRQUUJMURYLQHE-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001270118301 1081454592 /nfs/dbraw/zinc/45/45/92/1081454592.db2.gz LWWBDCZAXYOGHA-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669974331 1081485653 /nfs/dbraw/zinc/48/56/53/1081485653.db2.gz UDKCZPKVADYQFS-JKSUJKDBSA-N 2 1 318.465 2.457 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482283066 1081509894 /nfs/dbraw/zinc/50/98/94/1081509894.db2.gz CDOPKQOIIAWEAU-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCCC)CC1 ZINC001671504185 1081520047 /nfs/dbraw/zinc/52/00/47/1081520047.db2.gz QWTUORFOOWDJQZ-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001671569751 1081523965 /nfs/dbraw/zinc/52/39/65/1081523965.db2.gz MZJRCGMSZPGFGN-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001673651410 1081788454 /nfs/dbraw/zinc/78/84/54/1081788454.db2.gz VEPOFFVJFAKTGV-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001673651410 1081788461 /nfs/dbraw/zinc/78/84/61/1081788461.db2.gz VEPOFFVJFAKTGV-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001673651410 1081788467 /nfs/dbraw/zinc/78/84/67/1081788467.db2.gz VEPOFFVJFAKTGV-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251637 1081917936 /nfs/dbraw/zinc/91/79/36/1081917936.db2.gz DTNNUOAYKIEJPF-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001266494801 1082074405 /nfs/dbraw/zinc/07/44/05/1082074405.db2.gz AEAUVAGEQWSQOS-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266494801 1082074410 /nfs/dbraw/zinc/07/44/10/1082074410.db2.gz AEAUVAGEQWSQOS-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266494801 1082074417 /nfs/dbraw/zinc/07/44/17/1082074417.db2.gz AEAUVAGEQWSQOS-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266513973 1082095572 /nfs/dbraw/zinc/09/55/72/1082095572.db2.gz JTJRODFFMVJMTI-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482495096 1082121083 /nfs/dbraw/zinc/12/10/83/1082121083.db2.gz PWFZVAVCHNGBOA-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283297351 1082469206 /nfs/dbraw/zinc/46/92/06/1082469206.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001283297351 1082469209 /nfs/dbraw/zinc/46/92/09/1082469209.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001283297351 1082469214 /nfs/dbraw/zinc/46/92/14/1082469214.db2.gz XZTLMYSIBMIIOA-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001482864271 1082535100 /nfs/dbraw/zinc/53/51/00/1082535100.db2.gz HZAJIOZKYULMAC-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276858691 1083649924 /nfs/dbraw/zinc/64/99/24/1083649924.db2.gz LVHLVWRBOVZWKR-KDURUIRLSA-N 2 1 312.461 2.077 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCC(C)(C)C ZINC001277211790 1083851067 /nfs/dbraw/zinc/85/10/67/1083851067.db2.gz ZSZHFAAJVXWCKT-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CCC(C)(C)C ZINC001277211790 1083851074 /nfs/dbraw/zinc/85/10/74/1083851074.db2.gz ZSZHFAAJVXWCKT-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001490902007 1083874379 /nfs/dbraw/zinc/87/43/79/1083874379.db2.gz BFFVDKDLCZLRPS-QBPKDAKJSA-N 2 1 305.466 2.206 20 30 DEEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001277592274 1084048252 /nfs/dbraw/zinc/04/82/52/1084048252.db2.gz XZHUYLDDCCQHBB-SJORKVTESA-N 2 1 307.482 2.003 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCC ZINC001235472544 1084441376 /nfs/dbraw/zinc/44/13/76/1084441376.db2.gz SONPUHVTKFVCHP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCC ZINC001235472544 1084441380 /nfs/dbraw/zinc/44/13/80/1084441380.db2.gz SONPUHVTKFVCHP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCC ZINC001235472544 1084441384 /nfs/dbraw/zinc/44/13/84/1084441384.db2.gz SONPUHVTKFVCHP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCCC ZINC001235472544 1084441389 /nfs/dbraw/zinc/44/13/89/1084441389.db2.gz SONPUHVTKFVCHP-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001486166793 1085101706 /nfs/dbraw/zinc/10/17/06/1085101706.db2.gz NLQCKFTUVRDLJJ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030679 1085153738 /nfs/dbraw/zinc/15/37/38/1085153738.db2.gz UWGSAMSRHKMUME-VIIJNVHASA-N 2 1 317.477 2.206 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075279 1085780631 /nfs/dbraw/zinc/78/06/31/1085780631.db2.gz KEUIACUVOFUYQP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001273143220 1086664615 /nfs/dbraw/zinc/66/46/15/1086664615.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143220 1086664617 /nfs/dbraw/zinc/66/46/17/1086664617.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143220 1086664620 /nfs/dbraw/zinc/66/46/20/1086664620.db2.gz DEJXMMURIBEQHY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644806 1088490521 /nfs/dbraw/zinc/49/05/21/1088490521.db2.gz IQOCUYIFUBQRQM-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114835711 1088962766 /nfs/dbraw/zinc/96/27/66/1088962766.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114835711 1088962771 /nfs/dbraw/zinc/96/27/71/1088962771.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114835711 1088962777 /nfs/dbraw/zinc/96/27/77/1088962777.db2.gz OUQXCKZKJITSLK-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456174 1088968410 /nfs/dbraw/zinc/96/84/10/1088968410.db2.gz RDWRDPJPGNDJLL-CRAIPNDOSA-N 2 1 315.461 2.027 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114840423 1089028775 /nfs/dbraw/zinc/02/87/75/1089028775.db2.gz KLZMGOJWHIOXBY-LISAXSMJSA-N 2 1 321.509 2.365 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557371 1089062178 /nfs/dbraw/zinc/06/21/78/1089062178.db2.gz RCZCUAVYJREDNX-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557371 1089062192 /nfs/dbraw/zinc/06/21/92/1089062192.db2.gz RCZCUAVYJREDNX-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080999723 1089272661 /nfs/dbraw/zinc/27/26/61/1089272661.db2.gz FOZVCKJAZWQOBA-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308386 /nfs/dbraw/zinc/30/83/86/1090308386.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308390 /nfs/dbraw/zinc/30/83/90/1090308390.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476378 1090308398 /nfs/dbraw/zinc/30/83/98/1090308398.db2.gz WAORNWKAMTXAKG-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768015 1090433011 /nfs/dbraw/zinc/43/30/11/1090433011.db2.gz SEHQGKCIWWQBEF-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768015 1090433013 /nfs/dbraw/zinc/43/30/13/1090433013.db2.gz SEHQGKCIWWQBEF-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768015 1090433015 /nfs/dbraw/zinc/43/30/15/1090433015.db2.gz SEHQGKCIWWQBEF-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853208 1090476463 /nfs/dbraw/zinc/47/64/63/1090476463.db2.gz VPPBSVUUQJJPHB-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953533 1090543592 /nfs/dbraw/zinc/54/35/92/1090543592.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953533 1090543596 /nfs/dbraw/zinc/54/35/96/1090543596.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953533 1090543599 /nfs/dbraw/zinc/54/35/99/1090543599.db2.gz SJMWAGKOGQSGDB-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032403 1090606573 /nfs/dbraw/zinc/60/65/73/1090606573.db2.gz FEQBGWQJSNJXBZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032403 1090606574 /nfs/dbraw/zinc/60/65/74/1090606574.db2.gz FEQBGWQJSNJXBZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032403 1090606576 /nfs/dbraw/zinc/60/65/76/1090606576.db2.gz FEQBGWQJSNJXBZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274369464 1091210987 /nfs/dbraw/zinc/21/09/87/1091210987.db2.gz QMNDMMPBUACVBW-OZSKJFCKSA-N 2 1 311.445 2.037 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001274412534 1091230843 /nfs/dbraw/zinc/23/08/43/1091230843.db2.gz GUAUBQSKJWWEBE-JTGQJZMRSA-N 2 1 307.482 2.478 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242645 /nfs/dbraw/zinc/24/26/45/1091242645.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242656 /nfs/dbraw/zinc/24/26/56/1091242656.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434308 1091242667 /nfs/dbraw/zinc/24/26/67/1091242667.db2.gz CZLVBZIFBSILOP-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001411238031 1091455257 /nfs/dbraw/zinc/45/52/57/1091455257.db2.gz QTJBIIAZUWLFQC-UKRRQHHQSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275144330 1091581714 /nfs/dbraw/zinc/58/17/14/1091581714.db2.gz XVLCRUOQSCZICZ-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001275179642 1091603375 /nfs/dbraw/zinc/60/33/75/1091603375.db2.gz JSRNGYOFWPTDSQ-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275309917 1091663891 /nfs/dbraw/zinc/66/38/91/1091663891.db2.gz QTWMZAKPHXCZAV-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001273572195 1091930193 /nfs/dbraw/zinc/93/01/93/1091930193.db2.gz VUBVTSSXTAJMQR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273572195 1091930207 /nfs/dbraw/zinc/93/02/07/1091930207.db2.gz VUBVTSSXTAJMQR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001273572195 1091930216 /nfs/dbraw/zinc/93/02/16/1091930216.db2.gz VUBVTSSXTAJMQR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275928560 1092324048 /nfs/dbraw/zinc/32/40/48/1092324048.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928560 1092324061 /nfs/dbraw/zinc/32/40/61/1092324061.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928560 1092324070 /nfs/dbraw/zinc/32/40/70/1092324070.db2.gz OCIGKKRDIVAGMZ-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275928559 1092325006 /nfs/dbraw/zinc/32/50/06/1092325006.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928559 1092325014 /nfs/dbraw/zinc/32/50/14/1092325014.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928559 1092325028 /nfs/dbraw/zinc/32/50/28/1092325028.db2.gz OCIGKKRDIVAGMZ-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928016 1092331876 /nfs/dbraw/zinc/33/18/76/1092331876.db2.gz CDJWJMUKXKHVQC-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928016 1092331887 /nfs/dbraw/zinc/33/18/87/1092331887.db2.gz CDJWJMUKXKHVQC-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001488993085 1092872095 /nfs/dbraw/zinc/87/20/95/1092872095.db2.gz VXVXOPSTKMTYJP-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001319378569 1140559260 /nfs/dbraw/zinc/55/92/60/1140559260.db2.gz DHQQCPMRPYDLBO-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319617422 1140625090 /nfs/dbraw/zinc/62/50/90/1140625090.db2.gz BLSSTUGLASPNIF-WMZOPIPTSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001319786768 1140714951 /nfs/dbraw/zinc/71/49/51/1140714951.db2.gz BOCOZLCIWQXZPZ-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001319948454 1140806156 /nfs/dbraw/zinc/80/61/56/1140806156.db2.gz XPTVCXYLLBKHMG-OAHLLOKOSA-N 2 1 306.454 2.313 20 30 DEEDMP CC#CC[NH2+]CCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001322579526 1141635208 /nfs/dbraw/zinc/63/52/08/1141635208.db2.gz BYOXPUDNOAGUGB-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642348 1141873118 /nfs/dbraw/zinc/87/31/18/1141873118.db2.gz MGRBFFKOKDPHAU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001323858751 1141893764 /nfs/dbraw/zinc/89/37/64/1141893764.db2.gz QZVSNHUZVUXFGZ-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323858751 1141893765 /nfs/dbraw/zinc/89/37/65/1141893765.db2.gz QZVSNHUZVUXFGZ-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323858751 1141893767 /nfs/dbraw/zinc/89/37/67/1141893767.db2.gz QZVSNHUZVUXFGZ-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894340 /nfs/dbraw/zinc/89/43/40/1141894340.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894342 /nfs/dbraw/zinc/89/43/42/1141894342.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001323860715 1141894344 /nfs/dbraw/zinc/89/43/44/1141894344.db2.gz UNNDZHWOWJOUIK-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CCCC)C1 ZINC001278664021 1142704400 /nfs/dbraw/zinc/70/44/00/1142704400.db2.gz RRTRIWBSFSEEHI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CCCC)C1 ZINC001278664021 1142704413 /nfs/dbraw/zinc/70/44/13/1142704413.db2.gz RRTRIWBSFSEEHI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC)C1 ZINC001278664021 1142704422 /nfs/dbraw/zinc/70/44/22/1142704422.db2.gz RRTRIWBSFSEEHI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC)C1 ZINC001278664021 1142704424 /nfs/dbraw/zinc/70/44/24/1142704424.db2.gz RRTRIWBSFSEEHI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCOC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470207 1142723829 /nfs/dbraw/zinc/72/38/29/1142723829.db2.gz IWOKXSPABFIJPR-RTBURBONSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001252470207 1142723837 /nfs/dbraw/zinc/72/38/37/1142723837.db2.gz IWOKXSPABFIJPR-RTBURBONSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252470207 1142723847 /nfs/dbraw/zinc/72/38/47/1142723847.db2.gz IWOKXSPABFIJPR-RTBURBONSA-N 2 1 318.461 2.004 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001252552531 1142760126 /nfs/dbraw/zinc/76/01/26/1142760126.db2.gz XKFFASVYKZBENP-SFHVURJKSA-N 2 1 315.461 2.307 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001340149034 1143280221 /nfs/dbraw/zinc/28/02/21/1143280221.db2.gz BLCRLLKWRTYSJM-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254635631 1143290867 /nfs/dbraw/zinc/29/08/67/1143290867.db2.gz HFZCWYBDOKLHLS-QFBILLFUSA-N 2 1 312.461 2.216 20 30 DEEDMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635629 1143292799 /nfs/dbraw/zinc/29/27/99/1143292799.db2.gz HFZCWYBDOKLHLS-APWZRJJASA-N 2 1 312.461 2.216 20 30 DEEDMP CN1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255421587 1143612164 /nfs/dbraw/zinc/61/21/64/1143612164.db2.gz LMBAZEQOIJODBJ-GUDVDZBRSA-N 2 1 312.461 2.334 20 30 DEEDMP CN1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255423019 1143613072 /nfs/dbraw/zinc/61/30/72/1143613072.db2.gz WPCGHYSNALCBRN-GUDVDZBRSA-N 2 1 312.461 2.334 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280814341 1143869570 /nfs/dbraw/zinc/86/95/70/1143869570.db2.gz MXHKEUPFMMJPRF-GVDBMIGSSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280814341 1143869571 /nfs/dbraw/zinc/86/95/71/1143869571.db2.gz MXHKEUPFMMJPRF-GVDBMIGSSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280814341 1143869574 /nfs/dbraw/zinc/86/95/74/1143869574.db2.gz MXHKEUPFMMJPRF-GVDBMIGSSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258727253 1144036011 /nfs/dbraw/zinc/03/60/11/1144036011.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 2 1 303.454 2.027 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001258727253 1144036013 /nfs/dbraw/zinc/03/60/13/1144036013.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 2 1 303.454 2.027 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001258727253 1144036016 /nfs/dbraw/zinc/03/60/16/1144036016.db2.gz CXKZDEOMQXVIAG-NCOADZHNSA-N 2 1 303.454 2.027 20 30 DEEDMP C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001263190905 1144360442 /nfs/dbraw/zinc/36/04/42/1144360442.db2.gz UOHDMLJHGGKRBC-HDICACEKSA-N 2 1 317.477 2.182 20 30 DEEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001263243898 1144363470 /nfs/dbraw/zinc/36/34/70/1144363470.db2.gz KQGKLSAAKZLOIR-AWEZNQCLSA-N 2 1 301.394 2.032 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001263993375 1144438813 /nfs/dbraw/zinc/43/88/13/1144438813.db2.gz CHHNDGLBBIQYRN-SQNIBIBYSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265449333 1144704784 /nfs/dbraw/zinc/70/47/84/1144704784.db2.gz IZCJSTRAFLZGGZ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708365 1144732347 /nfs/dbraw/zinc/73/23/47/1144732347.db2.gz NCDGPWQQPZDKRJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001265978247 1144775295 /nfs/dbraw/zinc/77/52/95/1144775295.db2.gz GNNGHPFRWVWUSA-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001265978247 1144775300 /nfs/dbraw/zinc/77/53/00/1144775300.db2.gz GNNGHPFRWVWUSA-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316610963 1144889989 /nfs/dbraw/zinc/88/99/89/1144889989.db2.gz NFJKHTRIKLODQA-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316610963 1144889990 /nfs/dbraw/zinc/88/99/90/1144889990.db2.gz NFJKHTRIKLODQA-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568734 1144897957 /nfs/dbraw/zinc/89/79/57/1144897957.db2.gz XTZZHRJQEHPCFB-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001282311157 1145032669 /nfs/dbraw/zinc/03/26/69/1145032669.db2.gz YRQNRFJJGAJVFO-QGZVFWFLSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001282616564 1145098701 /nfs/dbraw/zinc/09/87/01/1145098701.db2.gz XMGYCNYCZVNFAT-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001282627286 1145101335 /nfs/dbraw/zinc/10/13/35/1145101335.db2.gz KDITWPMZWLNCTF-KRWDZBQOSA-N 2 1 305.466 2.067 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282667256 1145117950 /nfs/dbraw/zinc/11/79/50/1145117950.db2.gz PHOOMLPDRXMQJM-HOTGVXAUSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229449 /nfs/dbraw/zinc/22/94/49/1145229449.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229456 /nfs/dbraw/zinc/22/94/56/1145229456.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282996174 1145229463 /nfs/dbraw/zinc/22/94/63/1145229463.db2.gz KCDMEKPIBVGRAL-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001283316728 1145358867 /nfs/dbraw/zinc/35/88/67/1145358867.db2.gz GPGLCKVTYKBWCA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001283316728 1145358874 /nfs/dbraw/zinc/35/88/74/1145358874.db2.gz GPGLCKVTYKBWCA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001283316728 1145358880 /nfs/dbraw/zinc/35/88/80/1145358880.db2.gz GPGLCKVTYKBWCA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001491829147 1146906075 /nfs/dbraw/zinc/90/60/75/1146906075.db2.gz GCCANKWMAGOMHT-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492154734 1147102302 /nfs/dbraw/zinc/10/23/02/1147102302.db2.gz SKJHYUSSQKZYMJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001492154734 1147102308 /nfs/dbraw/zinc/10/23/08/1147102308.db2.gz SKJHYUSSQKZYMJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001492154734 1147102314 /nfs/dbraw/zinc/10/23/14/1147102314.db2.gz SKJHYUSSQKZYMJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366424581 1147264728 /nfs/dbraw/zinc/26/47/28/1147264728.db2.gz HBUJSMDOMTXXJF-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366424570 1147265210 /nfs/dbraw/zinc/26/52/10/1147265210.db2.gz HBUJSMDOMTXXJF-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001316758925 1147594765 /nfs/dbraw/zinc/59/47/65/1147594765.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316758925 1147594769 /nfs/dbraw/zinc/59/47/69/1147594769.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316758925 1147594773 /nfs/dbraw/zinc/59/47/73/1147594773.db2.gz QOPCDJSGGSVKBG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316773874 1147596956 /nfs/dbraw/zinc/59/69/56/1147596956.db2.gz YKODSFOUUGLKNM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001316799309 1147600990 /nfs/dbraw/zinc/60/09/90/1147600990.db2.gz CDNHXBQONAVPSE-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001316799309 1147600993 /nfs/dbraw/zinc/60/09/93/1147600993.db2.gz CDNHXBQONAVPSE-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990315 1147644844 /nfs/dbraw/zinc/64/48/44/1147644844.db2.gz LTWPWOGXCOXSMD-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990315 1147644845 /nfs/dbraw/zinc/64/48/45/1147644845.db2.gz LTWPWOGXCOXSMD-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001317149577 1147666944 /nfs/dbraw/zinc/66/69/44/1147666944.db2.gz JQDIAAUPPJMXSY-HNNXBMFYSA-N 2 1 304.438 2.137 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317403676 1147702032 /nfs/dbraw/zinc/70/20/32/1147702032.db2.gz CROBQQSPYLIQOF-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001317434518 1147707645 /nfs/dbraw/zinc/70/76/45/1147707645.db2.gz JCJVMLDMXUPZFE-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)CC[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317464780 1147712589 /nfs/dbraw/zinc/71/25/89/1147712589.db2.gz FDRTWIKRYYTNEM-UHFFFAOYSA-N 2 1 303.450 2.376 20 30 DEEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317771236 1147751066 /nfs/dbraw/zinc/75/10/66/1147751066.db2.gz XYBQOOBBOVXZBD-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317771236 1147751067 /nfs/dbraw/zinc/75/10/67/1147751067.db2.gz XYBQOOBBOVXZBD-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001324943424 1147861151 /nfs/dbraw/zinc/86/11/51/1147861151.db2.gz HYMCLAURPNMLHD-SFHVURJKSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001325707894 1147987106 /nfs/dbraw/zinc/98/71/06/1147987106.db2.gz GGEXSEDIVIKGCY-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001325766275 1147997055 /nfs/dbraw/zinc/99/70/55/1147997055.db2.gz KDXZUYUEPXOPCB-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC001325880730 1148013084 /nfs/dbraw/zinc/01/30/84/1148013084.db2.gz SYXWKFTUTVPWBJ-CQSZACIVSA-N 2 1 312.417 2.127 20 30 DEEDMP CCc1ccc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)s1 ZINC000261754287 529638380 /nfs/dbraw/zinc/63/83/80/529638380.db2.gz MFQKARMQEANYRO-BLLLJJGKSA-N 2 1 320.506 2.458 20 30 DEEDMP C[N@@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000262505059 529852841 /nfs/dbraw/zinc/85/28/41/529852841.db2.gz BDOOHSSLIHVXFJ-MRXNPFEDSA-N 2 1 316.449 2.289 20 30 DEEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCC#N)CC2)CC1 ZINC000377266667 529878643 /nfs/dbraw/zinc/87/86/43/529878643.db2.gz LTEKWEOWOYSVQD-UHFFFAOYSA-N 2 1 306.498 2.418 20 30 DEEDMP C[N@H+](CCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266667 529878644 /nfs/dbraw/zinc/87/86/44/529878644.db2.gz LTEKWEOWOYSVQD-UHFFFAOYSA-N 3 1 306.498 2.418 20 30 DEEDMP C[N@@H+](CCCC#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266667 529878645 /nfs/dbraw/zinc/87/86/45/529878645.db2.gz LTEKWEOWOYSVQD-UHFFFAOYSA-N 3 1 306.498 2.418 20 30 DEEDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181697148 199339962 /nfs/dbraw/zinc/33/99/62/199339962.db2.gz VEHCTZCLYBYPHE-MRXNPFEDSA-N 2 1 314.477 2.482 20 30 DEEDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181697328 199339720 /nfs/dbraw/zinc/33/97/20/199339720.db2.gz UWMHJVFYPGRRCI-INIZCTEOSA-N 2 1 314.477 2.482 20 30 DEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046031 213259918 /nfs/dbraw/zinc/25/99/18/213259918.db2.gz CCKCWHFGSVMJCK-KRWDZBQOSA-N 2 1 314.433 2.303 20 30 DEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780467 354981870 /nfs/dbraw/zinc/98/18/70/354981870.db2.gz GPGDJNIMUHTHGR-CQSZACIVSA-N 2 1 308.857 2.299 20 30 DEEDMP C=CCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000581953069 357275355 /nfs/dbraw/zinc/27/53/55/357275355.db2.gz DNWIHHKRZVDLMZ-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588678 359252178 /nfs/dbraw/zinc/25/21/78/359252178.db2.gz NBVANPMQQYOGDK-HZPDHXFCSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588678 359252183 /nfs/dbraw/zinc/25/21/83/359252183.db2.gz NBVANPMQQYOGDK-HZPDHXFCSA-N 2 1 316.449 2.425 20 30 DEEDMP C[C@H](CCC#N)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624979 360462919 /nfs/dbraw/zinc/46/29/19/360462919.db2.gz QKEVRLPKTNDLEC-MJGOQNOKSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624979 360462925 /nfs/dbraw/zinc/46/29/25/360462925.db2.gz QKEVRLPKTNDLEC-MJGOQNOKSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602624979 360462932 /nfs/dbraw/zinc/46/29/32/360462932.db2.gz QKEVRLPKTNDLEC-MJGOQNOKSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602624979 360462936 /nfs/dbraw/zinc/46/29/36/360462936.db2.gz QKEVRLPKTNDLEC-MJGOQNOKSA-N 2 1 315.461 2.495 20 30 DEEDMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449132695 240099586 /nfs/dbraw/zinc/09/95/86/240099586.db2.gz VSPXQMGGIIPNKK-UHFFFAOYSA-N 2 1 306.498 2.322 20 30 DEEDMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000108371432 402252178 /nfs/dbraw/zinc/25/21/78/402252178.db2.gz FJMHWVGMPMDPSW-UHFFFAOYSA-N 2 1 314.433 2.349 20 30 DEEDMP COCC[N@H+](C)CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000125864004 402254391 /nfs/dbraw/zinc/25/43/91/402254391.db2.gz FUCLPGQLIDXORQ-UHFFFAOYSA-N 2 1 301.434 2.168 20 30 DEEDMP COCC[N@@H+](C)CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000125864004 402254393 /nfs/dbraw/zinc/25/43/93/402254393.db2.gz FUCLPGQLIDXORQ-UHFFFAOYSA-N 2 1 301.434 2.168 20 30 DEEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263909986 402819166 /nfs/dbraw/zinc/81/91/66/402819166.db2.gz KJQHPTNTHHUVBD-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000271908216 402885478 /nfs/dbraw/zinc/88/54/78/402885478.db2.gz XFWZYIVHFSQCRH-QAPCUYQASA-N 2 1 301.434 2.446 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266749969 402988321 /nfs/dbraw/zinc/98/83/21/402988321.db2.gz NRZQEOOAFIKMAG-CQSZACIVSA-N 2 1 302.422 2.178 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(CC#N)cc1 ZINC000342724058 403323121 /nfs/dbraw/zinc/32/31/21/403323121.db2.gz DFFUGWGLOJTWMF-QYZOEREBSA-N 2 1 313.445 2.436 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1 ZINC000288633552 403760444 /nfs/dbraw/zinc/76/04/44/403760444.db2.gz BJVLKUWUCDKQRO-UHFFFAOYSA-N 2 1 319.497 2.420 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1 ZINC000288633552 403760450 /nfs/dbraw/zinc/76/04/50/403760450.db2.gz BJVLKUWUCDKQRO-UHFFFAOYSA-N 2 1 319.497 2.420 20 30 DEEDMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424132961 405016569 /nfs/dbraw/zinc/01/65/69/405016569.db2.gz IQSLZAPPRNLTMG-HUUCEWRRSA-N 2 1 322.840 2.080 20 30 DEEDMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424157163 405025485 /nfs/dbraw/zinc/02/54/85/405025485.db2.gz PKXCWAZFXHGCLT-KRWDZBQOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426417744 405358622 /nfs/dbraw/zinc/35/86/22/405358622.db2.gz CCCJILJLKIALAG-QZTJIDSGSA-N 2 1 319.493 2.428 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439844178 405294281 /nfs/dbraw/zinc/29/42/81/405294281.db2.gz TZFYNSURQWYMFK-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP Cn1c[nH+]cc1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552280259 406699309 /nfs/dbraw/zinc/69/93/09/406699309.db2.gz ATJJWWBEUWSSIL-UHFFFAOYSA-N 2 1 309.417 2.093 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000645264952 407255813 /nfs/dbraw/zinc/25/58/13/407255813.db2.gz QDRXSLLKIGGUTP-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(C[NH+]=C(N(C)C)N(C)C)cc1F ZINC000261994590 225262569 /nfs/dbraw/zinc/26/25/69/225262569.db2.gz NIUWLJNTOOZTDI-UHFFFAOYSA-N 2 1 303.385 2.299 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897802 782029353 /nfs/dbraw/zinc/02/93/53/782029353.db2.gz XYISSGGORFDWBO-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000651700930 425143865 /nfs/dbraw/zinc/14/38/65/425143865.db2.gz ZTCLGKSIQNENFO-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762544 425639875 /nfs/dbraw/zinc/63/98/75/425639875.db2.gz ICFAJSDVTVYMRW-JKSUJKDBSA-N 2 1 310.486 2.009 20 30 DEEDMP C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762544 425639879 /nfs/dbraw/zinc/63/98/79/425639879.db2.gz ICFAJSDVTVYMRW-JKSUJKDBSA-N 2 1 310.486 2.009 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804378 425739338 /nfs/dbraw/zinc/73/93/38/425739338.db2.gz FEYCJBXPETXFTH-HHXXYDBFSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804382 425739594 /nfs/dbraw/zinc/73/95/94/425739594.db2.gz FEYCJBXPETXFTH-SZVBFZGTSA-N 2 1 317.477 2.160 20 30 DEEDMP C#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001329848798 1149003344 /nfs/dbraw/zinc/00/33/44/1149003344.db2.gz NUBDUASZXOSHSH-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001378694878 1152417271 /nfs/dbraw/zinc/41/72/71/1152417271.db2.gz SUDSWXKKKGFDQB-UHFFFAOYSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930291 1152495049 /nfs/dbraw/zinc/49/50/49/1152495049.db2.gz WJOGQRZEQUFGJD-DZGCQCFKSA-N 2 1 315.889 2.297 20 30 DEEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264093763 528449904 /nfs/dbraw/zinc/44/99/04/528449904.db2.gz LXWHXQIFPIRBBE-HNNXBMFYSA-N 2 1 318.465 2.112 20 30 DEEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264093763 528449908 /nfs/dbraw/zinc/44/99/08/528449908.db2.gz LXWHXQIFPIRBBE-HNNXBMFYSA-N 2 1 318.465 2.112 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001368808016 1148677678 /nfs/dbraw/zinc/67/76/78/1148677678.db2.gz SALCUBRJMKFGOT-CABCVRRESA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001368808016 1148677687 /nfs/dbraw/zinc/67/76/87/1148677687.db2.gz SALCUBRJMKFGOT-CABCVRRESA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761788 625427605 /nfs/dbraw/zinc/42/76/05/625427605.db2.gz JJDAJYBPJLUNED-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761788 625427608 /nfs/dbraw/zinc/42/76/08/625427608.db2.gz JJDAJYBPJLUNED-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761788 625427610 /nfs/dbraw/zinc/42/76/10/625427610.db2.gz JJDAJYBPJLUNED-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547329 625513619 /nfs/dbraw/zinc/51/36/19/625513619.db2.gz KAMCRKAFIDXBJT-GTPINHCMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000969152253 622593668 /nfs/dbraw/zinc/59/36/68/622593668.db2.gz JLJGOGOVADGPCS-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316462 623395697 /nfs/dbraw/zinc/39/56/97/623395697.db2.gz DCLIUJFIXVFPJE-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575684 623780130 /nfs/dbraw/zinc/78/01/30/623780130.db2.gz MFLWPTIQIHIMMQ-CVEARBPZSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156504 624871842 /nfs/dbraw/zinc/87/18/42/624871842.db2.gz MSQZUSOXPHXKKH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156504 624871844 /nfs/dbraw/zinc/87/18/44/624871844.db2.gz MSQZUSOXPHXKKH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156504 624871845 /nfs/dbraw/zinc/87/18/45/624871845.db2.gz MSQZUSOXPHXKKH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100056 625135608 /nfs/dbraw/zinc/13/56/08/625135608.db2.gz SPQOHEWPBIDSPH-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100056 625135609 /nfs/dbraw/zinc/13/56/09/625135609.db2.gz SPQOHEWPBIDSPH-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100056 625135610 /nfs/dbraw/zinc/13/56/10/625135610.db2.gz SPQOHEWPBIDSPH-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100054 625135703 /nfs/dbraw/zinc/13/57/03/625135703.db2.gz SPQOHEWPBIDSPH-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100054 625135705 /nfs/dbraw/zinc/13/57/05/625135705.db2.gz SPQOHEWPBIDSPH-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100054 625135708 /nfs/dbraw/zinc/13/57/08/625135708.db2.gz SPQOHEWPBIDSPH-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436909 625770162 /nfs/dbraw/zinc/77/01/62/625770162.db2.gz JZFBHCGFBUEBFH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436909 625770166 /nfs/dbraw/zinc/77/01/66/625770166.db2.gz JZFBHCGFBUEBFH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442647 625778019 /nfs/dbraw/zinc/77/80/19/625778019.db2.gz UHAWCXXAHGVDFD-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615269 625864420 /nfs/dbraw/zinc/86/44/20/625864420.db2.gz HBSWICWKWCJMDU-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999036304 634464747 /nfs/dbraw/zinc/46/47/47/634464747.db2.gz SEHUWJGQIIWCMI-JCYILVPMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974577856 633156101 /nfs/dbraw/zinc/15/61/01/633156101.db2.gz OFHDHZKPFOBONT-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598373 633173539 /nfs/dbraw/zinc/17/35/39/633173539.db2.gz HFTFXWRWHPNYOQ-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598373 633173542 /nfs/dbraw/zinc/17/35/42/633173542.db2.gz HFTFXWRWHPNYOQ-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598373 633173544 /nfs/dbraw/zinc/17/35/44/633173544.db2.gz HFTFXWRWHPNYOQ-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686889 633236077 /nfs/dbraw/zinc/23/60/77/633236077.db2.gz YJRKMNUVAXDHDJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996376384 633250292 /nfs/dbraw/zinc/25/02/92/633250292.db2.gz OLKVZWMEXWPBQW-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943372 633375441 /nfs/dbraw/zinc/37/54/41/633375441.db2.gz GBCOGJCZVROTDH-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943372 633375444 /nfs/dbraw/zinc/37/54/44/633375444.db2.gz GBCOGJCZVROTDH-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045061 633397555 /nfs/dbraw/zinc/39/75/55/633397555.db2.gz YIFUUWMJZFCIHC-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045061 633397559 /nfs/dbraw/zinc/39/75/59/633397559.db2.gz YIFUUWMJZFCIHC-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045061 633397564 /nfs/dbraw/zinc/39/75/64/633397564.db2.gz YIFUUWMJZFCIHC-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132541 633617604 /nfs/dbraw/zinc/61/76/04/633617604.db2.gz OHIPRHBISOGUIX-AEFFLSMTSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027466665 633836063 /nfs/dbraw/zinc/83/60/63/633836063.db2.gz XGMFTKOMUPMANH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466665 633836067 /nfs/dbraw/zinc/83/60/67/633836067.db2.gz XGMFTKOMUPMANH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466665 633836074 /nfs/dbraw/zinc/83/60/74/633836074.db2.gz XGMFTKOMUPMANH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027466665 633836081 /nfs/dbraw/zinc/83/60/81/633836081.db2.gz XGMFTKOMUPMANH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472635 633854513 /nfs/dbraw/zinc/85/45/13/633854513.db2.gz VGDJTZBFYOWQNE-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588037 633887802 /nfs/dbraw/zinc/88/78/02/633887802.db2.gz URCXDKVPMMRKHL-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CN2CCC(C)CC2)C(C)(C)C1 ZINC000977383731 633965109 /nfs/dbraw/zinc/96/51/09/633965109.db2.gz FNFLLTOXXZFVTD-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977383731 633965111 /nfs/dbraw/zinc/96/51/11/633965111.db2.gz FNFLLTOXXZFVTD-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977383731 633965117 /nfs/dbraw/zinc/96/51/17/633965117.db2.gz FNFLLTOXXZFVTD-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000998190029 634164333 /nfs/dbraw/zinc/16/43/33/634164333.db2.gz RZXWMPGVISCYSN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000998190029 634164336 /nfs/dbraw/zinc/16/43/36/634164336.db2.gz RZXWMPGVISCYSN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000998190029 634164343 /nfs/dbraw/zinc/16/43/43/634164343.db2.gz RZXWMPGVISCYSN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001027609986 634279484 /nfs/dbraw/zinc/27/94/84/634279484.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001027609986 634279489 /nfs/dbraw/zinc/27/94/89/634279489.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001027609986 634279491 /nfs/dbraw/zinc/27/94/91/634279491.db2.gz HLRQUYPHYLXPGU-HOCLYGCPSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978421031 634312193 /nfs/dbraw/zinc/31/21/93/634312193.db2.gz CJOAGDNTQIRXAY-NNZMDNLPSA-N 2 1 324.428 2.208 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647287 634376972 /nfs/dbraw/zinc/37/69/72/634376972.db2.gz MUPAAYNIGMNPTN-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980479170 635016838 /nfs/dbraw/zinc/01/68/38/635016838.db2.gz UEMCYFKYOLXVPJ-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404149 635487958 /nfs/dbraw/zinc/48/79/58/635487958.db2.gz GZABJMDKRJMXEL-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981800497 635655658 /nfs/dbraw/zinc/65/56/58/635655658.db2.gz GUMPSXRRNBWZOL-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981800497 635655659 /nfs/dbraw/zinc/65/56/59/635655659.db2.gz GUMPSXRRNBWZOL-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981800497 635655661 /nfs/dbraw/zinc/65/56/61/635655661.db2.gz GUMPSXRRNBWZOL-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981837954 635682023 /nfs/dbraw/zinc/68/20/23/635682023.db2.gz ZITNCSCCDYGHSH-UHFFFAOYSA-N 2 1 305.422 2.065 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981837954 635682025 /nfs/dbraw/zinc/68/20/25/635682025.db2.gz ZITNCSCCDYGHSH-UHFFFAOYSA-N 2 1 305.422 2.065 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384562 636151411 /nfs/dbraw/zinc/15/14/11/636151411.db2.gz DFXUSAMUWSPCJC-QBPKDAKJSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595371 636342321 /nfs/dbraw/zinc/34/23/21/636342321.db2.gz WBHAUMDACDJPCZ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595371 636342326 /nfs/dbraw/zinc/34/23/26/636342326.db2.gz WBHAUMDACDJPCZ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595371 636342332 /nfs/dbraw/zinc/34/23/32/636342332.db2.gz WBHAUMDACDJPCZ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004615912 636501730 /nfs/dbraw/zinc/50/17/30/636501730.db2.gz JMVHDOUYXHWFRT-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004615912 636501735 /nfs/dbraw/zinc/50/17/35/636501735.db2.gz JMVHDOUYXHWFRT-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004615912 636501739 /nfs/dbraw/zinc/50/17/39/636501739.db2.gz JMVHDOUYXHWFRT-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005390845 636730348 /nfs/dbraw/zinc/73/03/48/636730348.db2.gz MQCOKXBRKIETFZ-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011649 636951823 /nfs/dbraw/zinc/95/18/23/636951823.db2.gz BQAMWBXVTASTNI-OAHLLOKOSA-N 2 1 319.449 2.359 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000764462596 640640191 /nfs/dbraw/zinc/64/01/91/640640191.db2.gz SAQMTNQDCJSLAC-OAHLLOKOSA-N 2 1 321.490 2.194 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722521 643438994 /nfs/dbraw/zinc/43/89/94/643438994.db2.gz MAFQYMPBIMMYMY-MOPGFXCFSA-N 2 1 316.445 2.452 20 30 DEEDMP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000904343782 643641375 /nfs/dbraw/zinc/64/13/75/643641375.db2.gz WWUYMPJBXYCOMX-FGTMMUONSA-N 2 1 316.445 2.386 20 30 DEEDMP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000904343782 643641379 /nfs/dbraw/zinc/64/13/79/643641379.db2.gz WWUYMPJBXYCOMX-FGTMMUONSA-N 2 1 316.445 2.386 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913100096 646269116 /nfs/dbraw/zinc/26/91/16/646269116.db2.gz PMWUPVBDOGKSSI-MAUKXSAKSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991857668 646670824 /nfs/dbraw/zinc/67/08/24/646670824.db2.gz DUGJISTVIWIVMZ-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991857668 646670825 /nfs/dbraw/zinc/67/08/25/646670825.db2.gz DUGJISTVIWIVMZ-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120370 646861280 /nfs/dbraw/zinc/86/12/80/646861280.db2.gz BMMJVDYTQGTTRM-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120370 646861284 /nfs/dbraw/zinc/86/12/84/646861284.db2.gz BMMJVDYTQGTTRM-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120370 646861290 /nfs/dbraw/zinc/86/12/90/646861290.db2.gz BMMJVDYTQGTTRM-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C[C@H]1C(=NN2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000814685751 646920337 /nfs/dbraw/zinc/92/03/37/646920337.db2.gz PAFCOVORRLMUNH-INIZCTEOSA-N 2 1 300.450 2.274 20 30 DEEDMP N#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000915227439 647498411 /nfs/dbraw/zinc/49/84/11/647498411.db2.gz ULSUVVHHWVMMND-UHFFFAOYSA-N 2 1 308.385 2.306 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164856 649011354 /nfs/dbraw/zinc/01/13/54/649011354.db2.gz XZGZOHXKPDOKLH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164856 649011356 /nfs/dbraw/zinc/01/13/56/649011356.db2.gz XZGZOHXKPDOKLH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164856 649011358 /nfs/dbraw/zinc/01/13/58/649011358.db2.gz XZGZOHXKPDOKLH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372255 649096831 /nfs/dbraw/zinc/09/68/31/649096831.db2.gz AMYYYNQNGGFRAV-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092268 649611411 /nfs/dbraw/zinc/61/14/11/649611411.db2.gz QCZOEXONTYFAGN-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000849026932 651586939 /nfs/dbraw/zinc/58/69/39/651586939.db2.gz NIILVPHYAAHXBB-INIZCTEOSA-N 2 1 316.449 2.350 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197909 693878668 /nfs/dbraw/zinc/87/86/68/693878668.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197909 693878670 /nfs/dbraw/zinc/87/86/70/693878670.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197909 693878674 /nfs/dbraw/zinc/87/86/74/693878674.db2.gz LNUKSHSIIQTEKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197884 693879216 /nfs/dbraw/zinc/87/92/16/693879216.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197884 693879220 /nfs/dbraw/zinc/87/92/20/693879220.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197884 693879224 /nfs/dbraw/zinc/87/92/24/693879224.db2.gz KVMVPRJCVKDBAY-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000303877669 685236273 /nfs/dbraw/zinc/23/62/73/685236273.db2.gz FMYSXLPBUNEIHA-HOTGVXAUSA-N 2 1 302.466 2.396 20 30 DEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000303990568 685242791 /nfs/dbraw/zinc/24/27/91/685242791.db2.gz YWCLLWTYWDPPAZ-UHFFFAOYSA-N 2 1 318.421 2.059 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618217 687666116 /nfs/dbraw/zinc/66/61/16/687666116.db2.gz QUBVPJIYPULHBN-HZPDHXFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001018873212 688244994 /nfs/dbraw/zinc/24/49/94/688244994.db2.gz ORNZXLIQFNFYPZ-KGLIPLIRSA-N 2 1 324.856 2.340 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423462 689495643 /nfs/dbraw/zinc/49/56/43/689495643.db2.gz RMKUMDDTCYHUCH-SFHVURJKSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825981 689627949 /nfs/dbraw/zinc/62/79/49/689627949.db2.gz LCIKDDMSHFBBPX-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825981 689627946 /nfs/dbraw/zinc/62/79/46/689627946.db2.gz LCIKDDMSHFBBPX-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825981 689627953 /nfs/dbraw/zinc/62/79/53/689627953.db2.gz LCIKDDMSHFBBPX-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825588 689627987 /nfs/dbraw/zinc/62/79/87/689627987.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825588 689627990 /nfs/dbraw/zinc/62/79/90/689627990.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825588 689627993 /nfs/dbraw/zinc/62/79/93/689627993.db2.gz FPPNHQBFHDUGDJ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426657 689845795 /nfs/dbraw/zinc/84/57/95/689845795.db2.gz OKPCNBSCXCATHI-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426657 689845797 /nfs/dbraw/zinc/84/57/97/689845797.db2.gz OKPCNBSCXCATHI-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439261 689851124 /nfs/dbraw/zinc/85/11/24/689851124.db2.gz SSRAQDNSZFCMRK-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876597673 689870862 /nfs/dbraw/zinc/87/08/62/689870862.db2.gz PYXQOUBBTOUOJQ-MRXNPFEDSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000876597673 689870867 /nfs/dbraw/zinc/87/08/67/689870867.db2.gz PYXQOUBBTOUOJQ-MRXNPFEDSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876597673 689870871 /nfs/dbraw/zinc/87/08/71/689870871.db2.gz PYXQOUBBTOUOJQ-MRXNPFEDSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876597673 689870874 /nfs/dbraw/zinc/87/08/74/689870874.db2.gz PYXQOUBBTOUOJQ-MRXNPFEDSA-N 2 1 300.450 2.398 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000876710525 689911603 /nfs/dbraw/zinc/91/16/03/689911603.db2.gz IOQMICDOCFHGIP-MRXNPFEDSA-N 2 1 321.852 2.109 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000876723741 689915950 /nfs/dbraw/zinc/91/59/50/689915950.db2.gz GNBGQKNMTQUSIL-INIZCTEOSA-N 2 1 321.852 2.021 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876742213 689924007 /nfs/dbraw/zinc/92/40/07/689924007.db2.gz ZVZLYJDSXWRDOK-CJNGLKHVSA-N 2 1 321.852 2.019 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876764670 689930382 /nfs/dbraw/zinc/93/03/82/689930382.db2.gz PVCVFGASQFMTEF-GDBMZVCRSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876764670 689930385 /nfs/dbraw/zinc/93/03/85/689930385.db2.gz PVCVFGASQFMTEF-GDBMZVCRSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035187149 690053549 /nfs/dbraw/zinc/05/35/49/690053549.db2.gz SFIKIRNKCMVEFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187149 690053552 /nfs/dbraw/zinc/05/35/52/690053552.db2.gz SFIKIRNKCMVEFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187149 690053553 /nfs/dbraw/zinc/05/35/53/690053553.db2.gz SFIKIRNKCMVEFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035794664 690178123 /nfs/dbraw/zinc/17/81/23/690178123.db2.gz IPRPFOBTLMRFOD-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795684 690178207 /nfs/dbraw/zinc/17/82/07/690178207.db2.gz XOKGKEYTBDJVOX-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCCC1(C)C ZINC000878515817 690429498 /nfs/dbraw/zinc/42/94/98/690429498.db2.gz IOCKLKRWESPXNA-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810154 690481199 /nfs/dbraw/zinc/48/11/99/690481199.db2.gz WPVTVSPMVBWZNO-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485961 /nfs/dbraw/zinc/48/59/61/690485961.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485964 /nfs/dbraw/zinc/48/59/64/690485964.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820582 690485967 /nfs/dbraw/zinc/48/59/67/690485967.db2.gz LHKYGCIBNGHRFR-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Br)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123953 690572821 /nfs/dbraw/zinc/57/28/21/690572821.db2.gz NHIGGCJEOQJDTR-UHFFFAOYSA-N 2 1 305.260 2.185 20 30 DEEDMP C=C(Br)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123953 690572822 /nfs/dbraw/zinc/57/28/22/690572822.db2.gz NHIGGCJEOQJDTR-UHFFFAOYSA-N 2 1 305.260 2.185 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037925086 690641818 /nfs/dbraw/zinc/64/18/18/690641818.db2.gz JYVGBQLCMHQSCJ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038440878 690823966 /nfs/dbraw/zinc/82/39/66/690823966.db2.gz CCVULFNUVYFKBB-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038624896 690879227 /nfs/dbraw/zinc/87/92/27/690879227.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038624896 690879231 /nfs/dbraw/zinc/87/92/31/690879231.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038624896 690879233 /nfs/dbraw/zinc/87/92/33/690879233.db2.gz OWZSKTVQRGWZBF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159453 691035472 /nfs/dbraw/zinc/03/54/72/691035472.db2.gz OHJFSZMROBODFH-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401971 691098796 /nfs/dbraw/zinc/09/87/96/691098796.db2.gz YVLUMQYPMKOREB-CVEARBPZSA-N 2 1 310.401 2.199 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000931546300 694425207 /nfs/dbraw/zinc/42/52/07/694425207.db2.gz KPSWPDLYMYMTBW-SJLPKXTDSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000931546300 694425210 /nfs/dbraw/zinc/42/52/10/694425210.db2.gz KPSWPDLYMYMTBW-SJLPKXTDSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000931546300 694425211 /nfs/dbraw/zinc/42/52/11/694425211.db2.gz KPSWPDLYMYMTBW-SJLPKXTDSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000931546300 694425213 /nfs/dbraw/zinc/42/52/13/694425213.db2.gz KPSWPDLYMYMTBW-SJLPKXTDSA-N 2 1 311.429 2.023 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448175 691108456 /nfs/dbraw/zinc/10/84/56/691108456.db2.gz ZIOBKNOYKQGDEW-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241669 /nfs/dbraw/zinc/24/16/69/691241669.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241673 /nfs/dbraw/zinc/24/16/73/691241673.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391647 691241675 /nfs/dbraw/zinc/24/16/75/691241675.db2.gz QUSUAHYPOQCRNB-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041647634 691405000 /nfs/dbraw/zinc/40/50/00/691405000.db2.gz ZUARFIPDHLYSRN-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041675726 691408653 /nfs/dbraw/zinc/40/86/53/691408653.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675726 691408655 /nfs/dbraw/zinc/40/86/55/691408655.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675726 691408657 /nfs/dbraw/zinc/40/86/57/691408657.db2.gz RQQFFWVQBUPGHQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844298 691443479 /nfs/dbraw/zinc/44/34/79/691443479.db2.gz GDPXKISEUOYQKN-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000883216581 691458938 /nfs/dbraw/zinc/45/89/38/691458938.db2.gz SHNZUTHVXCXLPX-WMZOPIPTSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000883216581 691458940 /nfs/dbraw/zinc/45/89/40/691458940.db2.gz SHNZUTHVXCXLPX-WMZOPIPTSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001044170676 691783396 /nfs/dbraw/zinc/78/33/96/691783396.db2.gz SUGRTCCSTKOROO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001044170676 691783398 /nfs/dbraw/zinc/78/33/98/691783398.db2.gz SUGRTCCSTKOROO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021558 691985434 /nfs/dbraw/zinc/98/54/34/691985434.db2.gz YUUZCYPBUMFQBD-SJORKVTESA-N 2 1 305.466 2.239 20 30 DEEDMP C=C(Cl)CN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314246 692149384 /nfs/dbraw/zinc/14/93/84/692149384.db2.gz ABWKSMHAUQZLLB-HOCLYGCPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001048511255 692634322 /nfs/dbraw/zinc/63/43/22/692634322.db2.gz XYBFRDUDDBKTEC-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048511255 692634325 /nfs/dbraw/zinc/63/43/25/692634325.db2.gz XYBFRDUDDBKTEC-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048511255 692634330 /nfs/dbraw/zinc/63/43/30/692634330.db2.gz XYBFRDUDDBKTEC-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912731 692721520 /nfs/dbraw/zinc/72/15/20/692721520.db2.gz PGRXIGXTZMGMNV-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912731 692721521 /nfs/dbraw/zinc/72/15/21/692721521.db2.gz PGRXIGXTZMGMNV-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912731 692721522 /nfs/dbraw/zinc/72/15/22/692721522.db2.gz PGRXIGXTZMGMNV-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008921 692741904 /nfs/dbraw/zinc/74/19/04/692741904.db2.gz VVRWXSKCFXJZMZ-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008921 692741906 /nfs/dbraw/zinc/74/19/06/692741906.db2.gz VVRWXSKCFXJZMZ-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008921 692741909 /nfs/dbraw/zinc/74/19/09/692741909.db2.gz VVRWXSKCFXJZMZ-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518111 692908619 /nfs/dbraw/zinc/90/86/19/692908619.db2.gz QFDXBJNLPGHJQN-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049717293 692973418 /nfs/dbraw/zinc/97/34/18/692973418.db2.gz HYBYTWRSQRSYPS-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717293 692973421 /nfs/dbraw/zinc/97/34/21/692973421.db2.gz HYBYTWRSQRSYPS-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717293 692973423 /nfs/dbraw/zinc/97/34/23/692973423.db2.gz HYBYTWRSQRSYPS-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919242 693046706 /nfs/dbraw/zinc/04/67/06/693046706.db2.gz OFXJAUUMUUFSLA-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919242 693046709 /nfs/dbraw/zinc/04/67/09/693046709.db2.gz OFXJAUUMUUFSLA-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919242 693046713 /nfs/dbraw/zinc/04/67/13/693046713.db2.gz OFXJAUUMUUFSLA-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550464 693205069 /nfs/dbraw/zinc/20/50/69/693205069.db2.gz LNMNUUPJQUIFGM-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP N#Cc1ccccc1CSCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925620980 693310439 /nfs/dbraw/zinc/31/04/39/693310439.db2.gz IZUXSDUTNOPWAF-TXTZMMAHSA-N 2 1 313.470 2.377 20 30 DEEDMP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000925894257 693361387 /nfs/dbraw/zinc/36/13/87/693361387.db2.gz VPVVTJHYXNQNDC-ROUUACIJSA-N 2 1 321.428 2.448 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052446298 693537300 /nfs/dbraw/zinc/53/73/00/693537300.db2.gz YNNLKVBNIOHOJQ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446298 693537302 /nfs/dbraw/zinc/53/73/02/693537302.db2.gz YNNLKVBNIOHOJQ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446298 693537303 /nfs/dbraw/zinc/53/73/03/693537303.db2.gz YNNLKVBNIOHOJQ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052528657 693559341 /nfs/dbraw/zinc/55/93/41/693559341.db2.gz NQQQKMKDQQWZLR-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716309 693602182 /nfs/dbraw/zinc/60/21/82/693602182.db2.gz LNCTWFZEAVGGGC-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716309 693602183 /nfs/dbraw/zinc/60/21/83/693602183.db2.gz LNCTWFZEAVGGGC-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716309 693602186 /nfs/dbraw/zinc/60/21/86/693602186.db2.gz LNCTWFZEAVGGGC-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955331 693655951 /nfs/dbraw/zinc/65/59/51/693655951.db2.gz DAERJEDVUCHZEJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955331 693655953 /nfs/dbraw/zinc/65/59/53/693655953.db2.gz DAERJEDVUCHZEJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955331 693655955 /nfs/dbraw/zinc/65/59/55/693655955.db2.gz DAERJEDVUCHZEJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001402217954 1162293993 /nfs/dbraw/zinc/29/39/93/1162293993.db2.gz CDSKCSICCQBBPR-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001402217954 1162293997 /nfs/dbraw/zinc/29/39/97/1162293997.db2.gz CDSKCSICCQBBPR-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001402217954 1162293999 /nfs/dbraw/zinc/29/39/99/1162293999.db2.gz CDSKCSICCQBBPR-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001402217954 1162294002 /nfs/dbraw/zinc/29/40/02/1162294002.db2.gz CDSKCSICCQBBPR-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001343429494 1150741490 /nfs/dbraw/zinc/74/14/90/1150741490.db2.gz AVMISQZOAFKBRS-NVXWUHKLSA-N 2 1 303.450 2.307 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265104 /nfs/dbraw/zinc/26/51/04/1153265104.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265108 /nfs/dbraw/zinc/26/51/08/1153265108.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC001363200718 1153265114 /nfs/dbraw/zinc/26/51/14/1153265114.db2.gz XMDOESCLKZTDMR-WBAXXEDZSA-N 2 1 301.434 2.254 20 30 DEEDMP C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372715244 1156696300 /nfs/dbraw/zinc/69/63/00/1156696300.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372715244 1156696308 /nfs/dbraw/zinc/69/63/08/1156696308.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001372715244 1156696318 /nfs/dbraw/zinc/69/63/18/1156696318.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001372715244 1156696339 /nfs/dbraw/zinc/69/63/39/1156696339.db2.gz WRGUNZFQMUNTBB-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001374394212 1157837628 /nfs/dbraw/zinc/83/76/28/1157837628.db2.gz GVUJSKYKIDXYTJ-DOMZBBRYSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001403604838 1163042778 /nfs/dbraw/zinc/04/27/78/1163042778.db2.gz FVUASARROTYQJJ-CYBMUJFWSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377003449 1159872810 /nfs/dbraw/zinc/87/28/10/1159872810.db2.gz JNMZCCCZGDIKGK-CQSZACIVSA-N 2 1 303.878 2.105 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001377003449 1159872811 /nfs/dbraw/zinc/87/28/11/1159872811.db2.gz JNMZCCCZGDIKGK-CQSZACIVSA-N 2 1 303.878 2.105 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001401230879 1161899507 /nfs/dbraw/zinc/89/95/07/1161899507.db2.gz ZFUMUAXJLJZVQN-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001418119231 1167423034 /nfs/dbraw/zinc/42/30/34/1167423034.db2.gz ISRSNQGZYFYWBN-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001418119231 1167423041 /nfs/dbraw/zinc/42/30/41/1167423041.db2.gz ISRSNQGZYFYWBN-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418119231 1167423048 /nfs/dbraw/zinc/42/30/48/1167423048.db2.gz ISRSNQGZYFYWBN-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001418119231 1167423056 /nfs/dbraw/zinc/42/30/56/1167423056.db2.gz ISRSNQGZYFYWBN-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001418256269 1167523518 /nfs/dbraw/zinc/52/35/18/1167523518.db2.gz KQFVISBUSCXTPZ-CQSZACIVSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422213962 1172399276 /nfs/dbraw/zinc/39/92/76/1172399276.db2.gz SMMYWJHMPCKGIL-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001424724491 1173888150 /nfs/dbraw/zinc/88/81/50/1173888150.db2.gz HNBLIOSEFHJZBE-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001437836870 1180022840 /nfs/dbraw/zinc/02/28/40/1180022840.db2.gz AUWCWYJSOYZLBS-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001438401724 1180391854 /nfs/dbraw/zinc/39/18/54/1180391854.db2.gz JSXBFCIDCLTHGJ-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001406186452 1164498958 /nfs/dbraw/zinc/49/89/58/1164498958.db2.gz OKWVTQJVNULJKH-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001406186452 1164498960 /nfs/dbraw/zinc/49/89/60/1164498960.db2.gz OKWVTQJVNULJKH-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001406186452 1164498965 /nfs/dbraw/zinc/49/89/65/1164498965.db2.gz OKWVTQJVNULJKH-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886527 790289052 /nfs/dbraw/zinc/28/90/52/790289052.db2.gz VHYAPEKCYYSVSE-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886527 790289056 /nfs/dbraw/zinc/28/90/56/790289056.db2.gz VHYAPEKCYYSVSE-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886527 790289062 /nfs/dbraw/zinc/28/90/62/790289062.db2.gz VHYAPEKCYYSVSE-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C(C)C ZINC001332731976 1149885874 /nfs/dbraw/zinc/88/58/74/1149885874.db2.gz FZIHBIYJDXHAKV-HZPDHXFCSA-N 2 1 318.465 2.269 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383154 783060698 /nfs/dbraw/zinc/06/06/98/783060698.db2.gz WVUVNMPSDQFJEA-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383154 783060703 /nfs/dbraw/zinc/06/07/03/783060703.db2.gz WVUVNMPSDQFJEA-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383154 783060706 /nfs/dbraw/zinc/06/07/06/783060706.db2.gz WVUVNMPSDQFJEA-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443171 783111961 /nfs/dbraw/zinc/11/19/61/783111961.db2.gz YQPPILMBWADKJO-INIZCTEOSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156870 /nfs/dbraw/zinc/15/68/70/783156870.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156878 /nfs/dbraw/zinc/15/68/78/783156878.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492247 783156885 /nfs/dbraw/zinc/15/68/85/783156885.db2.gz GCJBJVCLOGZUNB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157445 /nfs/dbraw/zinc/15/74/45/783157445.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157448 /nfs/dbraw/zinc/15/74/48/783157448.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492248 783157453 /nfs/dbraw/zinc/15/74/53/783157453.db2.gz GCJBJVCLOGZUNB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601777 777310909 /nfs/dbraw/zinc/31/09/09/777310909.db2.gz QTMZWZHIBVDHSI-UHFFFAOYSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301603 777750762 /nfs/dbraw/zinc/75/07/62/777750762.db2.gz FRUTUBRDSRFMKB-IKGGRYGDSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087318431 777782504 /nfs/dbraw/zinc/78/25/04/777782504.db2.gz XSZRMDHDVBGTAO-KBAYOESNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947589 777807795 /nfs/dbraw/zinc/80/77/95/777807795.db2.gz PXHUYUSOBDIAAP-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721071 777908880 /nfs/dbraw/zinc/90/88/80/777908880.db2.gz BWOAKRQMFUIOOJ-UHFFFAOYSA-N 2 1 318.465 2.457 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104936388 778264171 /nfs/dbraw/zinc/26/41/71/778264171.db2.gz QZHHSDDXPJTIJA-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064313 778320272 /nfs/dbraw/zinc/32/02/72/778320272.db2.gz JAKSFTYRMYZYHL-UKRRQHHQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572637 779357639 /nfs/dbraw/zinc/35/76/39/779357639.db2.gz ZJVBUYFXYWKDMV-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001088000255 779624206 /nfs/dbraw/zinc/62/42/06/779624206.db2.gz WZXIOVCAVHCXPL-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000255 779624213 /nfs/dbraw/zinc/62/42/13/779624213.db2.gz WZXIOVCAVHCXPL-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000255 779624219 /nfs/dbraw/zinc/62/42/19/779624219.db2.gz WZXIOVCAVHCXPL-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424669 780106767 /nfs/dbraw/zinc/10/67/67/780106767.db2.gz CLDZQDXHFCPINF-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088653772 780690986 /nfs/dbraw/zinc/69/09/86/780690986.db2.gz GYUHDDDOTBDWNT-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576651 780772685 /nfs/dbraw/zinc/77/26/85/780772685.db2.gz KAAKYYRRQPLQAC-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692931 780828399 /nfs/dbraw/zinc/82/83/99/780828399.db2.gz DSVXJJJLNPBRPB-IKGGRYGDSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365555 783440824 /nfs/dbraw/zinc/44/08/24/783440824.db2.gz QHPSZRJTFBKSLF-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365555 783440831 /nfs/dbraw/zinc/44/08/31/783440831.db2.gz QHPSZRJTFBKSLF-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365555 783440837 /nfs/dbraw/zinc/44/08/37/783440837.db2.gz QHPSZRJTFBKSLF-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647179 783548892 /nfs/dbraw/zinc/54/88/92/783548892.db2.gz FHQIOKDGZNTWST-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085245251 783601466 /nfs/dbraw/zinc/60/14/66/783601466.db2.gz QIPCZQPWSASPIO-KFWWJZLASA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598235 783871644 /nfs/dbraw/zinc/87/16/44/783871644.db2.gz PLCRFYBBHRLKKE-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598235 783871652 /nfs/dbraw/zinc/87/16/52/783871652.db2.gz PLCRFYBBHRLKKE-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598235 783871659 /nfs/dbraw/zinc/87/16/59/783871659.db2.gz PLCRFYBBHRLKKE-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598235 783871670 /nfs/dbraw/zinc/87/16/70/783871670.db2.gz PLCRFYBBHRLKKE-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639261 783917680 /nfs/dbraw/zinc/91/76/80/783917680.db2.gz LQUWAVLSHSMWLS-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639261 783917683 /nfs/dbraw/zinc/91/76/83/783917683.db2.gz LQUWAVLSHSMWLS-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788636 784081009 /nfs/dbraw/zinc/08/10/09/784081009.db2.gz OVEVMINPKNVCBJ-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085788636 784081016 /nfs/dbraw/zinc/08/10/16/784081016.db2.gz OVEVMINPKNVCBJ-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968378448 784341046 /nfs/dbraw/zinc/34/10/46/784341046.db2.gz PXVDAUNBTCPXBM-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378448 784341066 /nfs/dbraw/zinc/34/10/66/784341066.db2.gz PXVDAUNBTCPXBM-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119659 784420200 /nfs/dbraw/zinc/42/02/00/784420200.db2.gz VZFDREUMDXKIFS-YYIAUSFCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008344720 785179524 /nfs/dbraw/zinc/17/95/24/785179524.db2.gz SBXFCNCKLBUGPF-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008344720 785179529 /nfs/dbraw/zinc/17/95/29/785179529.db2.gz SBXFCNCKLBUGPF-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751160 785294428 /nfs/dbraw/zinc/29/44/28/785294428.db2.gz ZARATFKEWRJPLH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614537 785494178 /nfs/dbraw/zinc/49/41/78/785494178.db2.gz XOPBTVYAVHJKSU-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764315 785531821 /nfs/dbraw/zinc/53/18/21/785531821.db2.gz IGHAMINPOACPIR-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560530 785927463 /nfs/dbraw/zinc/92/74/63/785927463.db2.gz FUJPVMPNJAQRMY-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717609 785995399 /nfs/dbraw/zinc/99/53/99/785995399.db2.gz YFNDRUGEMQPEQM-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717609 785995400 /nfs/dbraw/zinc/99/54/00/785995400.db2.gz YFNDRUGEMQPEQM-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717609 785995403 /nfs/dbraw/zinc/99/54/03/785995403.db2.gz YFNDRUGEMQPEQM-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718406 785995505 /nfs/dbraw/zinc/99/55/05/785995505.db2.gz GNQSECKGZLLKBV-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718406 785995511 /nfs/dbraw/zinc/99/55/11/785995511.db2.gz GNQSECKGZLLKBV-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718406 785995515 /nfs/dbraw/zinc/99/55/15/785995515.db2.gz GNQSECKGZLLKBV-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714413 785995830 /nfs/dbraw/zinc/99/58/30/785995830.db2.gz JWJOHVJKMSUALP-QZWWFDLISA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170047883 786157157 /nfs/dbraw/zinc/15/71/57/786157157.db2.gz UMFVQHLSZZFGPN-MSOLQXFVSA-N 2 1 301.434 2.410 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549486 787952748 /nfs/dbraw/zinc/95/27/48/787952748.db2.gz GEKQOMLFYUCWMY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097104354 787981655 /nfs/dbraw/zinc/98/16/55/787981655.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104354 787981661 /nfs/dbraw/zinc/98/16/61/787981661.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104354 787981667 /nfs/dbraw/zinc/98/16/67/787981667.db2.gz RIXITVGELXEKFV-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266336 787997247 /nfs/dbraw/zinc/99/72/47/787997247.db2.gz WXMXTCTUXNIYQJ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694909 788182991 /nfs/dbraw/zinc/18/29/91/788182991.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694909 788182996 /nfs/dbraw/zinc/18/29/96/788182996.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694909 788182999 /nfs/dbraw/zinc/18/29/99/788182999.db2.gz KGJLUIYWXATARA-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345362 788375798 /nfs/dbraw/zinc/37/57/98/788375798.db2.gz BDLKUNZLCHVDLB-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133873096 788652827 /nfs/dbraw/zinc/65/28/27/788652827.db2.gz NGHXREUJSGIMNB-MRXNPFEDSA-N 2 1 318.465 2.206 20 30 DEEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790802 789087960 /nfs/dbraw/zinc/08/79/60/789087960.db2.gz ITZMMFQDOUXUIS-CABCVRRESA-N 2 1 307.482 2.146 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481804 789359086 /nfs/dbraw/zinc/35/90/86/789359086.db2.gz XSFQQQQJBOVRHH-IRXDYDNUSA-N 2 1 317.477 2.220 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170869048 789562044 /nfs/dbraw/zinc/56/20/44/789562044.db2.gz ZWROGLYRLBNVLB-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071607423 789810575 /nfs/dbraw/zinc/81/05/75/789810575.db2.gz PIYBROLOGUPWHP-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628172 789825794 /nfs/dbraw/zinc/82/57/94/789825794.db2.gz NWZAALUJDZITPI-GDBMZVCRSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071689833 789866272 /nfs/dbraw/zinc/86/62/72/789866272.db2.gz QIIFLEJOOLZYCE-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071689833 789866279 /nfs/dbraw/zinc/86/62/79/789866279.db2.gz QIIFLEJOOLZYCE-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871191 789951256 /nfs/dbraw/zinc/95/12/56/789951256.db2.gz GNHFXKDQULXWCX-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996823 790004472 /nfs/dbraw/zinc/00/44/72/790004472.db2.gz VHEFUGGEBBHMEC-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398054525 790242457 /nfs/dbraw/zinc/24/24/57/790242457.db2.gz ZBXLVBVBKGEHTF-NUJGCVRESA-N 2 1 301.434 2.415 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398054525 790242460 /nfs/dbraw/zinc/24/24/60/790242460.db2.gz ZBXLVBVBKGEHTF-NUJGCVRESA-N 2 1 301.434 2.415 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147466496 791541920 /nfs/dbraw/zinc/54/19/20/791541920.db2.gz NFZNVKOGSOKICG-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724652 791605755 /nfs/dbraw/zinc/60/57/55/791605755.db2.gz LRLCJPQNLSRUNL-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725726 791607451 /nfs/dbraw/zinc/60/74/51/791607451.db2.gz YZFQKLOYLHTSPT-RDJZCZTQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657587 791789978 /nfs/dbraw/zinc/78/99/78/791789978.db2.gz ZCXBNYZNOCLDBQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657587 791789982 /nfs/dbraw/zinc/78/99/82/791789982.db2.gz ZCXBNYZNOCLDBQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657587 791789984 /nfs/dbraw/zinc/78/99/84/791789984.db2.gz ZCXBNYZNOCLDBQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945144 791995012 /nfs/dbraw/zinc/99/50/12/791995012.db2.gz UIRZXOJNGOXSSO-LPHOPBHVSA-N 2 1 324.428 2.495 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115352 792102313 /nfs/dbraw/zinc/10/23/13/792102313.db2.gz GXNKWPQSXHIYRP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115352 792102320 /nfs/dbraw/zinc/10/23/20/792102320.db2.gz GXNKWPQSXHIYRP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115352 792102326 /nfs/dbraw/zinc/10/23/26/792102326.db2.gz GXNKWPQSXHIYRP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544851 792236979 /nfs/dbraw/zinc/23/69/79/792236979.db2.gz WMXJZJBSOZAIMJ-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544851 792236988 /nfs/dbraw/zinc/23/69/88/792236988.db2.gz WMXJZJBSOZAIMJ-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544851 792236999 /nfs/dbraw/zinc/23/69/99/792236999.db2.gz WMXJZJBSOZAIMJ-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100345121 792602587 /nfs/dbraw/zinc/60/25/87/792602587.db2.gz QKIHJGGKPQVYCE-SJJHQCBESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100345986 792604108 /nfs/dbraw/zinc/60/41/08/792604108.db2.gz KCMCBMWCCRHWLY-QQFBHYJXSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418240 792910196 /nfs/dbraw/zinc/91/01/96/792910196.db2.gz OBTUHZRJDGQAFZ-DODZYUBVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418240 792910203 /nfs/dbraw/zinc/91/02/03/792910203.db2.gz OBTUHZRJDGQAFZ-DODZYUBVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418240 792910209 /nfs/dbraw/zinc/91/02/09/792910209.db2.gz OBTUHZRJDGQAFZ-DODZYUBVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577283 792990494 /nfs/dbraw/zinc/99/04/94/792990494.db2.gz FECJPSXLVXOJSN-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577283 792990501 /nfs/dbraw/zinc/99/05/01/792990501.db2.gz FECJPSXLVXOJSN-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577283 792990506 /nfs/dbraw/zinc/99/05/06/792990506.db2.gz FECJPSXLVXOJSN-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101440980 793161966 /nfs/dbraw/zinc/16/19/66/793161966.db2.gz FCWCMJAYYMKGQY-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440980 793161971 /nfs/dbraw/zinc/16/19/71/793161971.db2.gz FCWCMJAYYMKGQY-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440980 793161981 /nfs/dbraw/zinc/16/19/81/793161981.db2.gz FCWCMJAYYMKGQY-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477552 793174041 /nfs/dbraw/zinc/17/40/41/793174041.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477552 793174045 /nfs/dbraw/zinc/17/40/45/793174045.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477552 793174055 /nfs/dbraw/zinc/17/40/55/793174055.db2.gz ZRNJLABXSFBLBU-LMMKCTJWSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312794 793569618 /nfs/dbraw/zinc/56/96/18/793569618.db2.gz OBURJKHFGRBONV-SOLBZPMBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140000 793954408 /nfs/dbraw/zinc/95/44/08/793954408.db2.gz IIPNUFRFYKLGES-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103754479 794213250 /nfs/dbraw/zinc/21/32/50/794213250.db2.gz GXLIHZHLUIVROB-UKRRQHHQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103754479 794213257 /nfs/dbraw/zinc/21/32/57/794213257.db2.gz GXLIHZHLUIVROB-UKRRQHHQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103754479 794213262 /nfs/dbraw/zinc/21/32/62/794213262.db2.gz GXLIHZHLUIVROB-UKRRQHHQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185961 794414524 /nfs/dbraw/zinc/41/45/24/794414524.db2.gz RHSZCUGFJHDRMX-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730724 794899012 /nfs/dbraw/zinc/89/90/12/794899012.db2.gz QOXJSLAGIJNSBX-UHFFFAOYSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736264 794987119 /nfs/dbraw/zinc/98/71/19/794987119.db2.gz RUHLIVIRUDVKTQ-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546626 795135413 /nfs/dbraw/zinc/13/54/13/795135413.db2.gz ZHFSMVKIBMRRAU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179586437 795137298 /nfs/dbraw/zinc/13/72/98/795137298.db2.gz OQAWXXYEYJQFRU-SJORKVTESA-N 2 1 309.498 2.417 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580319 795144831 /nfs/dbraw/zinc/14/48/31/795144831.db2.gz DNCUDTKSAFIGFA-OAHLLOKOSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CCO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001118051075 795146203 /nfs/dbraw/zinc/14/62/03/795146203.db2.gz VIBYTKOHTCXJOV-IBGZPJMESA-N 2 1 316.445 2.296 20 30 DEEDMP C=CCO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001118051075 795146207 /nfs/dbraw/zinc/14/62/07/795146207.db2.gz VIBYTKOHTCXJOV-IBGZPJMESA-N 2 1 316.445 2.296 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788173 795176629 /nfs/dbraw/zinc/17/66/29/795176629.db2.gz PPCISGKUKLKWIP-IAGOWNOFSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120448886 795461780 /nfs/dbraw/zinc/46/17/80/795461780.db2.gz HYPPAFYAWXUTCH-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727770 795525472 /nfs/dbraw/zinc/52/54/72/795525472.db2.gz DFWYXFGCJUQTTC-IIDMSEBBSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294543 795613090 /nfs/dbraw/zinc/61/30/90/795613090.db2.gz CAMPORBNOFGBPD-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182368222 795661775 /nfs/dbraw/zinc/66/17/75/795661775.db2.gz DNFNPCFXKVYPDM-VUHPKUFZSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122242557 795739247 /nfs/dbraw/zinc/73/92/47/795739247.db2.gz IUZBBXGFKNRCAL-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCOc1ccc(C[N@@H+](CC)CCn2ccnc2)cc1OC ZINC001138346299 796201302 /nfs/dbraw/zinc/20/13/02/796201302.db2.gz BEKFRLZBSYITCL-UHFFFAOYSA-N 2 1 313.401 2.426 20 30 DEEDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC001139722784 796416962 /nfs/dbraw/zinc/41/69/62/796416962.db2.gz GBUCBPUJHQJOES-UHFFFAOYSA-N 2 1 314.477 2.326 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140864646 796586182 /nfs/dbraw/zinc/58/61/82/796586182.db2.gz ZXBMAIXFLYMGIG-UHFFFAOYSA-N 2 1 316.493 2.423 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105814 796651577 /nfs/dbraw/zinc/65/15/77/796651577.db2.gz YKCREUHVZQIGOR-HUUCEWRRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105815 796652154 /nfs/dbraw/zinc/65/21/54/796652154.db2.gz YKCREUHVZQIGOR-LSDHHAIUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161219520 796693185 /nfs/dbraw/zinc/69/31/85/796693185.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219520 796693191 /nfs/dbraw/zinc/69/31/91/796693191.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161219520 796693193 /nfs/dbraw/zinc/69/31/93/796693193.db2.gz JBCUGBBDDVULFO-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189913545 796901593 /nfs/dbraw/zinc/90/15/93/796901593.db2.gz TZPJYPNXCAFXLF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913545 796901596 /nfs/dbraw/zinc/90/15/96/796901596.db2.gz TZPJYPNXCAFXLF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913545 796901599 /nfs/dbraw/zinc/90/15/99/796901599.db2.gz TZPJYPNXCAFXLF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654190 797048916 /nfs/dbraw/zinc/04/89/16/797048916.db2.gz IABYZIXDXQNOEX-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654190 797048922 /nfs/dbraw/zinc/04/89/22/797048922.db2.gz IABYZIXDXQNOEX-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654190 797048931 /nfs/dbraw/zinc/04/89/31/797048931.db2.gz IABYZIXDXQNOEX-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653545 797049247 /nfs/dbraw/zinc/04/92/47/797049247.db2.gz DIESDHJGBCVYEC-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653545 797049255 /nfs/dbraw/zinc/04/92/55/797049255.db2.gz DIESDHJGBCVYEC-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653545 797049264 /nfs/dbraw/zinc/04/92/64/797049264.db2.gz DIESDHJGBCVYEC-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654189 797050436 /nfs/dbraw/zinc/05/04/36/797050436.db2.gz IABYZIXDXQNOEX-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654189 797050444 /nfs/dbraw/zinc/05/04/44/797050444.db2.gz IABYZIXDXQNOEX-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654189 797050446 /nfs/dbraw/zinc/05/04/46/797050446.db2.gz IABYZIXDXQNOEX-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144173 797154200 /nfs/dbraw/zinc/15/42/00/797154200.db2.gz JROXPYNDJBVBHH-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561733 797227772 /nfs/dbraw/zinc/22/77/72/797227772.db2.gz SMNRAMJUKVAZSX-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368115 797329073 /nfs/dbraw/zinc/32/90/73/797329073.db2.gz JWTRFRPDVFAMEP-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001153501895 797346068 /nfs/dbraw/zinc/34/60/68/797346068.db2.gz YDOFKLYJLNVHAR-QLFBSQMISA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501895 797346073 /nfs/dbraw/zinc/34/60/73/797346073.db2.gz YDOFKLYJLNVHAR-QLFBSQMISA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501895 797346077 /nfs/dbraw/zinc/34/60/77/797346077.db2.gz YDOFKLYJLNVHAR-QLFBSQMISA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501895 797346083 /nfs/dbraw/zinc/34/60/83/797346083.db2.gz YDOFKLYJLNVHAR-QLFBSQMISA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655852 797424019 /nfs/dbraw/zinc/42/40/19/797424019.db2.gz PHEXWCLAKOXIEJ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154178453 797480269 /nfs/dbraw/zinc/48/02/69/797480269.db2.gz JPUMKYZHMSDJOU-CQSZACIVSA-N 2 1 300.406 2.351 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344972 797518824 /nfs/dbraw/zinc/51/88/24/797518824.db2.gz RHYHXKMMHPXMER-OAHLLOKOSA-N 2 1 318.465 2.165 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344972 797518830 /nfs/dbraw/zinc/51/88/30/797518830.db2.gz RHYHXKMMHPXMER-OAHLLOKOSA-N 2 1 318.465 2.165 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344702 797518877 /nfs/dbraw/zinc/51/88/77/797518877.db2.gz KLIMSSXTXPHHNA-OAHLLOKOSA-N 2 1 318.465 2.165 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344702 797518882 /nfs/dbraw/zinc/51/88/82/797518882.db2.gz KLIMSSXTXPHHNA-OAHLLOKOSA-N 2 1 318.465 2.165 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455463 797538690 /nfs/dbraw/zinc/53/86/90/797538690.db2.gz RJIFEJXUPPWQBC-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425558 797565851 /nfs/dbraw/zinc/56/58/51/797565851.db2.gz YVBMMTBOOSAVGC-SFHVURJKSA-N 2 1 321.509 2.445 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194265255 797702218 /nfs/dbraw/zinc/70/22/18/797702218.db2.gz COLPZFQJJBOCAK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265255 797702220 /nfs/dbraw/zinc/70/22/20/797702220.db2.gz COLPZFQJJBOCAK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP Cc1[nH+]c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001155596506 797799461 /nfs/dbraw/zinc/79/94/61/797799461.db2.gz IFQOBAMIIKCNFY-YOEHRIQHSA-N 2 1 300.406 2.027 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001195284272 797870830 /nfs/dbraw/zinc/87/08/30/797870830.db2.gz STRQCIJZULYCAA-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284272 797870835 /nfs/dbraw/zinc/87/08/35/797870835.db2.gz STRQCIJZULYCAA-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195284272 797870840 /nfs/dbraw/zinc/87/08/40/797870840.db2.gz STRQCIJZULYCAA-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342064 797979276 /nfs/dbraw/zinc/97/92/76/797979276.db2.gz TYJULGNIKFAVQX-VQIMIIECSA-N 2 1 317.477 2.476 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163017 798014202 /nfs/dbraw/zinc/01/42/02/798014202.db2.gz FBVLDSLWBIMQGN-WBVHZDCISA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001196917102 798121619 /nfs/dbraw/zinc/12/16/19/798121619.db2.gz CNZFBRFAFSEYOW-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196917102 798121623 /nfs/dbraw/zinc/12/16/23/798121623.db2.gz CNZFBRFAFSEYOW-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196917102 798121625 /nfs/dbraw/zinc/12/16/25/798121625.db2.gz CNZFBRFAFSEYOW-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973595 798319235 /nfs/dbraw/zinc/31/92/35/798319235.db2.gz KHVTXAURFSYBTI-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973595 798319241 /nfs/dbraw/zinc/31/92/41/798319241.db2.gz KHVTXAURFSYBTI-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973595 798319246 /nfs/dbraw/zinc/31/92/46/798319246.db2.gz KHVTXAURFSYBTI-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158913964 798489371 /nfs/dbraw/zinc/48/93/71/798489371.db2.gz IAGYUDMHVRQQPJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053450 798711567 /nfs/dbraw/zinc/71/15/67/798711567.db2.gz POMRWVAJCXAGRH-MRXNPFEDSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161621819 798898153 /nfs/dbraw/zinc/89/81/53/798898153.db2.gz ADBXPLBQNKOHKU-UHFFFAOYSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161862745 798952219 /nfs/dbraw/zinc/95/22/19/798952219.db2.gz JGVGOPDYUNFQPR-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161862745 798952222 /nfs/dbraw/zinc/95/22/22/798952222.db2.gz JGVGOPDYUNFQPR-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161862745 798952228 /nfs/dbraw/zinc/95/22/28/798952228.db2.gz JGVGOPDYUNFQPR-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C[Si](C)(C)C#Cc1cccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870442 798953152 /nfs/dbraw/zinc/95/31/52/798953152.db2.gz JEWGXYMMTZUFHB-UHFFFAOYSA-N 2 1 316.525 2.146 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110738728 799002469 /nfs/dbraw/zinc/00/24/69/799002469.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738728 799002477 /nfs/dbraw/zinc/00/24/77/799002477.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738728 799002485 /nfs/dbraw/zinc/00/24/85/799002485.db2.gz QNGUMGHROTUOPL-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456103 799733349 /nfs/dbraw/zinc/73/33/49/799733349.db2.gz RCZZPEAKPGXEHU-MRXNPFEDSA-N 2 1 307.482 2.026 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793581 799952068 /nfs/dbraw/zinc/95/20/68/799952068.db2.gz VHKBCZHSTZFWSE-QGZVFWFLSA-N 2 1 319.493 2.008 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312883 800034985 /nfs/dbraw/zinc/03/49/85/800034985.db2.gz KBJTWDHXVVRQDV-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420791 800044954 /nfs/dbraw/zinc/04/49/54/800044954.db2.gz XDVYDXQMZXQFEM-LSDHHAIUSA-N 2 1 307.482 2.167 20 30 DEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203698760 800107800 /nfs/dbraw/zinc/10/78/00/800107800.db2.gz AJTPZOQONZDUGY-MRXNPFEDSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420444 800354854 /nfs/dbraw/zinc/35/48/54/800354854.db2.gz UPXHIODICWMJMS-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001206474890 800540075 /nfs/dbraw/zinc/54/00/75/800540075.db2.gz HXDNSZOCBPVVCS-QFBILLFUSA-N 2 1 323.396 2.102 20 30 DEEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001206474890 800540077 /nfs/dbraw/zinc/54/00/77/800540077.db2.gz HXDNSZOCBPVVCS-QFBILLFUSA-N 2 1 323.396 2.102 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331601 800956588 /nfs/dbraw/zinc/95/65/88/800956588.db2.gz UWUOBZQSNDYRSR-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340992 800959551 /nfs/dbraw/zinc/95/95/51/800959551.db2.gz SPPJILYYDHGLJY-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759818 801064831 /nfs/dbraw/zinc/06/48/31/801064831.db2.gz VGEWGRQUFMNGBF-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209157003 801139155 /nfs/dbraw/zinc/13/91/55/801139155.db2.gz GRHAPUSMMZHOQC-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209157003 801139157 /nfs/dbraw/zinc/13/91/57/801139157.db2.gz GRHAPUSMMZHOQC-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725110 801265358 /nfs/dbraw/zinc/26/53/58/801265358.db2.gz HDRPUNKLALFTPA-ZWKOTPCHSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725110 801265362 /nfs/dbraw/zinc/26/53/62/801265362.db2.gz HDRPUNKLALFTPA-ZWKOTPCHSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210245155 801358113 /nfs/dbraw/zinc/35/81/13/801358113.db2.gz ZNQQKXTXMPFYKN-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210245155 801358120 /nfs/dbraw/zinc/35/81/20/801358120.db2.gz ZNQQKXTXMPFYKN-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210245155 801358127 /nfs/dbraw/zinc/35/81/27/801358127.db2.gz ZNQQKXTXMPFYKN-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210245155 801358133 /nfs/dbraw/zinc/35/81/33/801358133.db2.gz ZNQQKXTXMPFYKN-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211032242 801501733 /nfs/dbraw/zinc/50/17/33/801501733.db2.gz WHZJLLQPROCOBP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211032242 801501735 /nfs/dbraw/zinc/50/17/35/801501735.db2.gz WHZJLLQPROCOBP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211257309 801537451 /nfs/dbraw/zinc/53/74/51/801537451.db2.gz QJOPJWYFIJBTST-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374405 801556472 /nfs/dbraw/zinc/55/64/72/801556472.db2.gz GSQCHFXPEKWIJF-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374405 801556477 /nfs/dbraw/zinc/55/64/77/801556477.db2.gz GSQCHFXPEKWIJF-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335601 801704468 /nfs/dbraw/zinc/70/44/68/801704468.db2.gz CVWVVAXZVPDPOK-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231821272 801734500 /nfs/dbraw/zinc/73/45/00/801734500.db2.gz XOXQVVITKNUMKL-IEBWSBKVSA-N 2 1 312.461 2.420 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001231821272 801734503 /nfs/dbraw/zinc/73/45/03/801734503.db2.gz XOXQVVITKNUMKL-IEBWSBKVSA-N 2 1 312.461 2.420 20 30 DEEDMP N#Cc1c2c(sc1NC(=O)[C@@H]1[NH2+]Cc3ccccc31)C[NH2+]CC2 ZINC001218553146 802203702 /nfs/dbraw/zinc/20/37/02/802203702.db2.gz NWXJWSCOZYIWGO-OAHLLOKOSA-N 2 1 324.409 2.048 20 30 DEEDMP N#Cc1c2c(sc1NC(=O)[C@H]1[NH2+]Cc3ccccc31)C[NH2+]CC2 ZINC001218553141 802204345 /nfs/dbraw/zinc/20/43/45/802204345.db2.gz NWXJWSCOZYIWGO-HNNXBMFYSA-N 2 1 324.409 2.048 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011194 802265369 /nfs/dbraw/zinc/26/53/69/802265369.db2.gz JFIOBQXTRSFIMP-HUUCEWRRSA-N 2 1 304.438 2.230 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265709 802336808 /nfs/dbraw/zinc/33/68/08/802336808.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265709 802336811 /nfs/dbraw/zinc/33/68/11/802336811.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265709 802336819 /nfs/dbraw/zinc/33/68/19/802336819.db2.gz KYYUBBWSWZHPPQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001223507849 802796269 /nfs/dbraw/zinc/79/62/69/802796269.db2.gz XBAWVSKZSZADQR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591203 802987639 /nfs/dbraw/zinc/98/76/39/802987639.db2.gz NTFQISONIOQZHJ-GOSISDBHSA-N 2 1 315.461 2.304 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226767756 803155749 /nfs/dbraw/zinc/15/57/49/803155749.db2.gz WEUCEDCXDVMQDQ-KZNAEPCWSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001330822547 1149307446 /nfs/dbraw/zinc/30/74/46/1149307446.db2.gz UCMCLWBBAMTUCB-SOUVJXGZSA-N 2 1 315.889 2.344 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC001346251342 1150959527 /nfs/dbraw/zinc/95/95/27/1150959527.db2.gz MAOHZUGIZNXJCX-KRWDZBQOSA-N 2 1 306.837 2.451 20 30 DEEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCCCC[NH3+] ZINC001575081398 1069358607 /nfs/dbraw/zinc/35/86/07/1069358607.db2.gz FVBQNCJKZCFTNT-CQSZACIVSA-N 2 1 302.422 2.336 20 30 DEEDMP CCCCCCCCCCNC(=S)NCC[NH2+]CC[NH3+] ZINC001239388977 1139033190 /nfs/dbraw/zinc/03/31/90/1139033190.db2.gz PCAIVJBOTQMXRX-UHFFFAOYSA-N 2 1 302.532 2.140 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001500003864 1058425352 /nfs/dbraw/zinc/42/53/52/1058425352.db2.gz XXFVXWWHLDLTPL-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001500003864 1058425357 /nfs/dbraw/zinc/42/53/57/1058425357.db2.gz XXFVXWWHLDLTPL-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460800130 1058507769 /nfs/dbraw/zinc/50/77/69/1058507769.db2.gz IBOOZGJSSXPVIP-BEFAXECRSA-N 2 1 322.412 2.197 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460800136 1058510514 /nfs/dbraw/zinc/51/05/14/1058510514.db2.gz IBOOZGJSSXPVIP-DNVCBOLYSA-N 2 1 322.412 2.197 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500505031 1058864290 /nfs/dbraw/zinc/86/42/90/1058864290.db2.gz HSIDFXGMTQECEO-KRWDZBQOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001502126514 1059965281 /nfs/dbraw/zinc/96/52/81/1059965281.db2.gz ZZVSXJNXLVNZOM-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001502147130 1060000079 /nfs/dbraw/zinc/00/00/79/1060000079.db2.gz CURCSKUTAIZSRK-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001502833957 1060337259 /nfs/dbraw/zinc/33/72/59/1060337259.db2.gz CHTTUPXUBLEJIM-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001502833957 1060337280 /nfs/dbraw/zinc/33/72/80/1060337280.db2.gz CHTTUPXUBLEJIM-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409284 /nfs/dbraw/zinc/40/92/84/1060409284.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409288 /nfs/dbraw/zinc/40/92/88/1060409288.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953280 1060409292 /nfs/dbraw/zinc/40/92/92/1060409292.db2.gz VLYDHACQSGWOIW-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001505407024 1060543905 /nfs/dbraw/zinc/54/39/05/1060543905.db2.gz LGSRBXWOVZAWGZ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001479971192 1062130606 /nfs/dbraw/zinc/13/06/06/1062130606.db2.gz MDMKYBALJKFYLZ-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480089059 1062307413 /nfs/dbraw/zinc/30/74/13/1062307413.db2.gz HLNBNOONMYYWIT-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480287984 1062590430 /nfs/dbraw/zinc/59/04/30/1062590430.db2.gz YOGLJSXKRRCPQK-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317464 1062637022 /nfs/dbraw/zinc/63/70/22/1062637022.db2.gz VPXMRBSHKUMPFY-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001480408734 1062819431 /nfs/dbraw/zinc/81/94/31/1062819431.db2.gz UEEYMLRSZVTCPP-UHFFFAOYSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001507355848 1063147976 /nfs/dbraw/zinc/14/79/76/1063147976.db2.gz NIAJVWSRAAYNFS-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001507355848 1063147988 /nfs/dbraw/zinc/14/79/88/1063147988.db2.gz NIAJVWSRAAYNFS-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001507355848 1063147999 /nfs/dbraw/zinc/14/79/99/1063147999.db2.gz NIAJVWSRAAYNFS-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480695632 1063201553 /nfs/dbraw/zinc/20/15/53/1063201553.db2.gz DAJGFXVHSAXNCT-CVEARBPZSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508162392 1063587414 /nfs/dbraw/zinc/58/74/14/1063587414.db2.gz NABVKBZEHXPJIS-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001493817388 1063975078 /nfs/dbraw/zinc/97/50/78/1063975078.db2.gz BCKAJIUJYDKSPF-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494134039 1064134627 /nfs/dbraw/zinc/13/46/27/1064134627.db2.gz CXZUYXFYSHPMCF-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494134039 1064134630 /nfs/dbraw/zinc/13/46/30/1064134630.db2.gz CXZUYXFYSHPMCF-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494134039 1064134634 /nfs/dbraw/zinc/13/46/34/1064134634.db2.gz CXZUYXFYSHPMCF-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178400 1064159505 /nfs/dbraw/zinc/15/95/05/1064159505.db2.gz IYFVQPOYDXJICZ-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567409686 1064187507 /nfs/dbraw/zinc/18/75/07/1064187507.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409686 1064187510 /nfs/dbraw/zinc/18/75/10/1064187510.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409686 1064187515 /nfs/dbraw/zinc/18/75/15/1064187515.db2.gz MKCVURTVJKXWOZ-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494709487 1064426748 /nfs/dbraw/zinc/42/67/48/1064426748.db2.gz IQZRLGCXQQYECP-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001494709487 1064426753 /nfs/dbraw/zinc/42/67/53/1064426753.db2.gz IQZRLGCXQQYECP-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001495728883 1065077714 /nfs/dbraw/zinc/07/77/14/1065077714.db2.gz KCIJDKCSUGYRJV-ZBFHGGJFSA-N 2 1 318.465 2.062 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496316112 1065404688 /nfs/dbraw/zinc/40/46/88/1065404688.db2.gz YBWSQAIVNHCFLX-ZWKOTPCHSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376281 1065473138 /nfs/dbraw/zinc/47/31/38/1065473138.db2.gz IJXVDFXEVKDKBY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386855 1065484362 /nfs/dbraw/zinc/48/43/62/1065484362.db2.gz WZDXBBSGTCDAPE-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001569436662 1065505526 /nfs/dbraw/zinc/50/55/26/1065505526.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001569436662 1065505534 /nfs/dbraw/zinc/50/55/34/1065505534.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001569436662 1065505540 /nfs/dbraw/zinc/50/55/40/1065505540.db2.gz KKYFRHBPPYFZAI-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001569563813 1065597240 /nfs/dbraw/zinc/59/72/40/1065597240.db2.gz XNLUJWHJINVCEC-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001569702150 1065680257 /nfs/dbraw/zinc/68/02/57/1065680257.db2.gz QGEJCJZKMRTJAU-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914381 1065818790 /nfs/dbraw/zinc/81/87/90/1065818790.db2.gz DVULTBZZBNHNNL-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001626536309 1078257226 /nfs/dbraw/zinc/25/72/26/1078257226.db2.gz FMMYKMRVOZUBAW-IBGZPJMESA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001569985653 1065861889 /nfs/dbraw/zinc/86/18/89/1065861889.db2.gz VOBJDFACMLJHIS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570005676 1065878011 /nfs/dbraw/zinc/87/80/11/1065878011.db2.gz MJSAIPSICNNBBW-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001497257746 1065992673 /nfs/dbraw/zinc/99/26/73/1065992673.db2.gz VTJIWACOMXOXGQ-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570373139 1066037755 /nfs/dbraw/zinc/03/77/55/1066037755.db2.gz KWTSBPLPMDDKCR-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001570373896 1066038334 /nfs/dbraw/zinc/03/83/34/1066038334.db2.gz DIRVMIALDRLJRB-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001570375008 1066039228 /nfs/dbraw/zinc/03/92/28/1066039228.db2.gz HQJFKJNFAOVFOC-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC(C)[C@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001575422857 1066296493 /nfs/dbraw/zinc/29/64/93/1066296493.db2.gz NQMJWROSCIBUJS-OAHLLOKOSA-N 2 1 304.413 2.050 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498317912 1066630737 /nfs/dbraw/zinc/63/07/37/1066630737.db2.gz VEWYPVOZQTVBCA-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639295 1066652342 /nfs/dbraw/zinc/65/23/42/1066652342.db2.gz ZXXJUAMFKHUYSO-ZDUSSCGKSA-N 2 1 314.389 2.430 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001498770663 1066877991 /nfs/dbraw/zinc/87/79/91/1066877991.db2.gz PSMUKXCCLKVNFL-IAGOWNOFSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001499514940 1067241583 /nfs/dbraw/zinc/24/15/83/1067241583.db2.gz KQODQBVXBBYKQP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001499514940 1067241585 /nfs/dbraw/zinc/24/15/85/1067241585.db2.gz KQODQBVXBBYKQP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001499514940 1067241588 /nfs/dbraw/zinc/24/15/88/1067241588.db2.gz KQODQBVXBBYKQP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499523092 1067245447 /nfs/dbraw/zinc/24/54/47/1067245447.db2.gz ZMTUICNUPRKWTA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001499523092 1067245457 /nfs/dbraw/zinc/24/54/57/1067245457.db2.gz ZMTUICNUPRKWTA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001499523092 1067245466 /nfs/dbraw/zinc/24/54/66/1067245466.db2.gz ZMTUICNUPRKWTA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001499746944 1067318582 /nfs/dbraw/zinc/31/85/82/1067318582.db2.gz CGUSYCKWPZPEGA-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001499746944 1067318593 /nfs/dbraw/zinc/31/85/93/1067318593.db2.gz CGUSYCKWPZPEGA-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001499835749 1067353273 /nfs/dbraw/zinc/35/32/73/1067353273.db2.gz PEFNDWCADDURPH-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC001580076224 1067490801 /nfs/dbraw/zinc/49/08/01/1067490801.db2.gz RJNFTSJCPBXWID-OAHLLOKOSA-N 2 1 300.406 2.090 20 30 DEEDMP N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)c1 ZINC001580076224 1067490808 /nfs/dbraw/zinc/49/08/08/1067490808.db2.gz RJNFTSJCPBXWID-OAHLLOKOSA-N 2 1 300.406 2.090 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267163862 1078628328 /nfs/dbraw/zinc/62/83/28/1078628328.db2.gz BGOFYHFUWSDXRN-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163862 1078628333 /nfs/dbraw/zinc/62/83/33/1078628333.db2.gz BGOFYHFUWSDXRN-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163862 1078628337 /nfs/dbraw/zinc/62/83/37/1078628337.db2.gz BGOFYHFUWSDXRN-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001570570790 1068012717 /nfs/dbraw/zinc/01/27/17/1068012717.db2.gz OBJYUJFVEDOMBD-CGZBRXJRSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267169298 1078633649 /nfs/dbraw/zinc/63/36/49/1078633649.db2.gz MWOWUPOMXAKAAL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267169298 1078633655 /nfs/dbraw/zinc/63/36/55/1078633655.db2.gz MWOWUPOMXAKAAL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267169298 1078633665 /nfs/dbraw/zinc/63/36/65/1078633665.db2.gz MWOWUPOMXAKAAL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267172200 1078637158 /nfs/dbraw/zinc/63/71/58/1078637158.db2.gz YNDXAZJODACJLL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267172200 1078637161 /nfs/dbraw/zinc/63/71/61/1078637161.db2.gz YNDXAZJODACJLL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267172200 1078637166 /nfs/dbraw/zinc/63/71/66/1078637166.db2.gz YNDXAZJODACJLL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181785 1078646077 /nfs/dbraw/zinc/64/60/77/1078646077.db2.gz NMWOVQMSJJEUIM-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181785 1078646083 /nfs/dbraw/zinc/64/60/83/1078646083.db2.gz NMWOVQMSJJEUIM-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001571564351 1068422726 /nfs/dbraw/zinc/42/27/26/1068422726.db2.gz BKNRQXUTWGRSHN-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571611800 1068439979 /nfs/dbraw/zinc/43/99/79/1068439979.db2.gz MSGJDONVFCVJNG-QGZVFWFLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571683583 1068478156 /nfs/dbraw/zinc/47/81/56/1068478156.db2.gz KDQRWCYGFSIRBW-WBVHZDCISA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571683583 1068478169 /nfs/dbraw/zinc/47/81/69/1068478169.db2.gz KDQRWCYGFSIRBW-WBVHZDCISA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571683583 1068478178 /nfs/dbraw/zinc/47/81/78/1068478178.db2.gz KDQRWCYGFSIRBW-WBVHZDCISA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267314625 1078759799 /nfs/dbraw/zinc/75/97/99/1078759799.db2.gz MJOIWBBWJGQFHE-UHFFFAOYSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267496194 1078921535 /nfs/dbraw/zinc/92/15/35/1078921535.db2.gz OOZIJYPORQTOQQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267496194 1078921539 /nfs/dbraw/zinc/92/15/39/1078921539.db2.gz OOZIJYPORQTOQQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267496194 1078921546 /nfs/dbraw/zinc/92/15/46/1078921546.db2.gz OOZIJYPORQTOQQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001483849490 1079149439 /nfs/dbraw/zinc/14/94/39/1079149439.db2.gz WXCQDALDPJKFAQ-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267603580 1079164363 /nfs/dbraw/zinc/16/43/63/1079164363.db2.gz VALKZPREDMLJOS-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481125061 1079222682 /nfs/dbraw/zinc/22/26/82/1079222682.db2.gz AOWOTAWILOFOMO-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483975524 1079221827 /nfs/dbraw/zinc/22/18/27/1079221827.db2.gz LVHLPRZGZGRHRP-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001484002320 1079237802 /nfs/dbraw/zinc/23/78/02/1079237802.db2.gz URYGMZLCOHXIPN-ZWKOTPCHSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267618866 1079276743 /nfs/dbraw/zinc/27/67/43/1079276743.db2.gz UGSMXAODOQHZDC-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)CN1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484061738 1079280780 /nfs/dbraw/zinc/28/07/80/1079280780.db2.gz PCNAIWVDPNLOTM-MRXNPFEDSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001481194530 1079322995 /nfs/dbraw/zinc/32/29/95/1079322995.db2.gz KTZYNOHPRRWGOJ-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001565835646 1075193435 /nfs/dbraw/zinc/19/34/35/1075193435.db2.gz QSIXKMRENLCGDB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001565835646 1075193440 /nfs/dbraw/zinc/19/34/40/1075193440.db2.gz QSIXKMRENLCGDB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001565835646 1075193445 /nfs/dbraw/zinc/19/34/45/1075193445.db2.gz QSIXKMRENLCGDB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267700944 1079388554 /nfs/dbraw/zinc/38/85/54/1079388554.db2.gz KQEIDQBHPWVEHM-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566740578 1075332186 /nfs/dbraw/zinc/33/21/86/1075332186.db2.gz ZJXNORUZBAZKBI-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566740578 1075332188 /nfs/dbraw/zinc/33/21/88/1075332188.db2.gz ZJXNORUZBAZKBI-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566740578 1075332190 /nfs/dbraw/zinc/33/21/90/1075332190.db2.gz ZJXNORUZBAZKBI-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001566745853 1075333613 /nfs/dbraw/zinc/33/36/13/1075333613.db2.gz VWAVYJPJBCSVPA-OAHLLOKOSA-N 2 1 318.465 2.434 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001566745853 1075333614 /nfs/dbraw/zinc/33/36/14/1075333614.db2.gz VWAVYJPJBCSVPA-OAHLLOKOSA-N 2 1 318.465 2.434 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(C)C)CC1 ZINC001566984513 1075408104 /nfs/dbraw/zinc/40/81/04/1075408104.db2.gz RRRVHESXPDZZJZ-ABHNRTSZSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(C)C)CC1 ZINC001566984513 1075408107 /nfs/dbraw/zinc/40/81/07/1075408107.db2.gz RRRVHESXPDZZJZ-ABHNRTSZSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267733374 1079425896 /nfs/dbraw/zinc/42/58/96/1079425896.db2.gz MGSNVZIPJQGQDC-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267745678 1079445434 /nfs/dbraw/zinc/44/54/34/1079445434.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001267745678 1079445437 /nfs/dbraw/zinc/44/54/37/1079445437.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001267745678 1079445441 /nfs/dbraw/zinc/44/54/41/1079445441.db2.gz BDOPVGSAIMSCTH-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001329460268 1148897515 /nfs/dbraw/zinc/89/75/15/1148897515.db2.gz PXMCDTBADKYQIE-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001329460268 1148897517 /nfs/dbraw/zinc/89/75/17/1148897517.db2.gz PXMCDTBADKYQIE-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001329460268 1148897519 /nfs/dbraw/zinc/89/75/19/1148897519.db2.gz PXMCDTBADKYQIE-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001484563002 1079662338 /nfs/dbraw/zinc/66/23/38/1079662338.db2.gz IOINFBYQEXXSPL-MRXNPFEDSA-N 2 1 315.461 2.317 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001484571048 1079668488 /nfs/dbraw/zinc/66/84/88/1079668488.db2.gz KDHBOZCWOQWQPA-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001484771962 1079787934 /nfs/dbraw/zinc/78/79/34/1079787934.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771962 1079787937 /nfs/dbraw/zinc/78/79/37/1079787937.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771962 1079787941 /nfs/dbraw/zinc/78/79/41/1079787941.db2.gz JDFKJSUOKKWKDQ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485067177 1079944929 /nfs/dbraw/zinc/94/49/29/1079944929.db2.gz IZMWMCCRRNOFST-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001485067177 1079944934 /nfs/dbraw/zinc/94/49/34/1079944934.db2.gz IZMWMCCRRNOFST-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001485067177 1079944939 /nfs/dbraw/zinc/94/49/39/1079944939.db2.gz IZMWMCCRRNOFST-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481504019 1079963675 /nfs/dbraw/zinc/96/36/75/1079963675.db2.gz KFYDAKWQWJCWKU-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481504019 1079963683 /nfs/dbraw/zinc/96/36/83/1079963683.db2.gz KFYDAKWQWJCWKU-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481504019 1079963692 /nfs/dbraw/zinc/96/36/92/1079963692.db2.gz KFYDAKWQWJCWKU-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001481510581 1079973339 /nfs/dbraw/zinc/97/33/39/1079973339.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481510581 1079973347 /nfs/dbraw/zinc/97/33/47/1079973347.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481510581 1079973352 /nfs/dbraw/zinc/97/33/52/1079973352.db2.gz YZYOTECHKBCPSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485231849 1080079965 /nfs/dbraw/zinc/07/99/65/1080079965.db2.gz LDGNIHCCVYJJOZ-LSDHHAIUSA-N 2 1 323.868 2.354 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485231849 1080079972 /nfs/dbraw/zinc/07/99/72/1080079972.db2.gz LDGNIHCCVYJJOZ-LSDHHAIUSA-N 2 1 323.868 2.354 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001268124223 1080091968 /nfs/dbraw/zinc/09/19/68/1080091968.db2.gz RROXTUPRFWXZQI-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109893 /nfs/dbraw/zinc/10/98/93/1080109893.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109896 /nfs/dbraw/zinc/10/98/96/1080109896.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653187 1080109905 /nfs/dbraw/zinc/10/99/05/1080109905.db2.gz WHOCMRUURDJGAF-NXHRZFHOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656909920 1080138023 /nfs/dbraw/zinc/13/80/23/1080138023.db2.gz SOIHSQYVGVFMFQ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001268201851 1080189305 /nfs/dbraw/zinc/18/93/05/1080189305.db2.gz ZTBQTBBOPDBCKY-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001268201851 1080189313 /nfs/dbraw/zinc/18/93/13/1080189313.db2.gz ZTBQTBBOPDBCKY-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001268201851 1080189322 /nfs/dbraw/zinc/18/93/22/1080189322.db2.gz ZTBQTBBOPDBCKY-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001485437659 1080207334 /nfs/dbraw/zinc/20/73/34/1080207334.db2.gz JKFXOVUDMNJGTP-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCCC)CC1 ZINC001660775841 1080394792 /nfs/dbraw/zinc/39/47/92/1080394792.db2.gz IOMSTDIIHGZIOR-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCCC)CC1 ZINC001660775841 1080394797 /nfs/dbraw/zinc/39/47/97/1080394797.db2.gz IOMSTDIIHGZIOR-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001485789238 1080434859 /nfs/dbraw/zinc/43/48/59/1080434859.db2.gz BJQPPKKRIKLPLN-NVXWUHKLSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235802 1080460356 /nfs/dbraw/zinc/46/03/56/1080460356.db2.gz PCTCFPALHMBUAH-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(=C)C ZINC001661925618 1080545197 /nfs/dbraw/zinc/54/51/97/1080545197.db2.gz LHDICQTWGCCPLC-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(=C)C ZINC001661925618 1080545203 /nfs/dbraw/zinc/54/52/03/1080545203.db2.gz LHDICQTWGCCPLC-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001662108193 1080570246 /nfs/dbraw/zinc/57/02/46/1080570246.db2.gz AFKHLXOVXOLUSI-JCYILVPMSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001482026821 1080702017 /nfs/dbraw/zinc/70/20/17/1080702017.db2.gz RCANVZUKIGLJAT-SHTZXODSSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001663683693 1080802803 /nfs/dbraw/zinc/80/28/03/1080802803.db2.gz BNIJDUNLDKIKFD-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001663683693 1080802813 /nfs/dbraw/zinc/80/28/13/1080802813.db2.gz BNIJDUNLDKIKFD-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001664467142 1080913711 /nfs/dbraw/zinc/91/37/11/1080913711.db2.gz FUCLLZWURDFWRG-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001664687166 1080942058 /nfs/dbraw/zinc/94/20/58/1080942058.db2.gz PYZGXLSTEKYYJP-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268704958 1080943560 /nfs/dbraw/zinc/94/35/60/1080943560.db2.gz BNAAUGXJGPTKAC-JQHSSLGASA-N 2 1 315.461 2.002 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269046693 1081096389 /nfs/dbraw/zinc/09/63/89/1081096389.db2.gz YLLNTWHXLQFSJO-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001665940258 1081100522 /nfs/dbraw/zinc/10/05/22/1081100522.db2.gz PBMNTVZFJDHRCS-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001666323452 1081144012 /nfs/dbraw/zinc/14/40/12/1081144012.db2.gz PFRHFBGBZGMXBH-DSPLQEQRSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666403582 1081150493 /nfs/dbraw/zinc/15/04/93/1081150493.db2.gz NFDLXMIDGKNLDR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001666425392 1081151702 /nfs/dbraw/zinc/15/17/02/1081151702.db2.gz ZRJHEGSFVYIVGK-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001269254644 1081185408 /nfs/dbraw/zinc/18/54/08/1081185408.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001269254644 1081185411 /nfs/dbraw/zinc/18/54/11/1081185411.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001269254644 1081185416 /nfs/dbraw/zinc/18/54/16/1081185416.db2.gz CWXKENOJPACXRX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667133847 1081215030 /nfs/dbraw/zinc/21/50/30/1081215030.db2.gz ACVWXIVINDFFAP-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667489350 1081257517 /nfs/dbraw/zinc/25/75/17/1081257517.db2.gz UOJPVRIGMUSWHT-WBVHZDCISA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001269489273 1081263745 /nfs/dbraw/zinc/26/37/45/1081263745.db2.gz LVCMKTOFVBTHLZ-KRWDZBQOSA-N 2 1 311.445 2.013 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001667695305 1081275805 /nfs/dbraw/zinc/27/58/05/1081275805.db2.gz VZNCGDHBYYKUNB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695305 1081275808 /nfs/dbraw/zinc/27/58/08/1081275808.db2.gz VZNCGDHBYYKUNB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695305 1081275812 /nfs/dbraw/zinc/27/58/12/1081275812.db2.gz VZNCGDHBYYKUNB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269738493 1081352351 /nfs/dbraw/zinc/35/23/51/1081352351.db2.gz RPBVGRFMICZFDN-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669974330 1081485524 /nfs/dbraw/zinc/48/55/24/1081485524.db2.gz UDKCZPKVADYQFS-HZPDHXFCSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672419531 1081594395 /nfs/dbraw/zinc/59/43/95/1081594395.db2.gz LJPMGEJNWKHSRY-WCXIOVBPSA-N 2 1 307.482 2.072 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672911152 1081720479 /nfs/dbraw/zinc/72/04/79/1081720479.db2.gz QLDMAQOCLSGJFO-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001673450129 1081771679 /nfs/dbraw/zinc/77/16/79/1081771679.db2.gz PJSCJWWQKAMATB-UHFFFAOYSA-N 2 1 300.406 2.223 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001482414429 1081803109 /nfs/dbraw/zinc/80/31/09/1081803109.db2.gz UNGZGIGISHSQNF-QGZVFWFLSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270899194 1081820249 /nfs/dbraw/zinc/82/02/49/1081820249.db2.gz GDZXYSLSDKLMIX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001674352681 1081864013 /nfs/dbraw/zinc/86/40/13/1081864013.db2.gz GSEJHOFZRGWLKN-SFHVURJKSA-N 2 1 321.509 2.156 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001270991912 1081866964 /nfs/dbraw/zinc/86/69/64/1081866964.db2.gz QWOVWKWLSNRIDS-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271016790 1081876558 /nfs/dbraw/zinc/87/65/58/1081876558.db2.gz JFHLMFCZRDHTMH-LJQANCHMSA-N 2 1 319.493 2.104 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482495091 1082120914 /nfs/dbraw/zinc/12/09/14/1082120914.db2.gz PWFZVAVCHNGBOA-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617668 1082220119 /nfs/dbraw/zinc/22/01/19/1082220119.db2.gz SCBGIOYXXQFPQX-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266874436 1082422167 /nfs/dbraw/zinc/42/21/67/1082422167.db2.gz LOJDLTPWEYACGN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001671678842 1082442251 /nfs/dbraw/zinc/44/22/51/1082442251.db2.gz PJMLYMRZOXHTHA-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053776 /nfs/dbraw/zinc/05/37/76/1083053776.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053780 /nfs/dbraw/zinc/05/37/80/1083053780.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001496862291 1083053784 /nfs/dbraw/zinc/05/37/84/1083053784.db2.gz IWPVJWOHCWAXQI-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609177 1083513343 /nfs/dbraw/zinc/51/33/43/1083513343.db2.gz VKNBSGAZSQXLJS-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609177 1083513354 /nfs/dbraw/zinc/51/33/54/1083513354.db2.gz VKNBSGAZSQXLJS-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609177 1083513362 /nfs/dbraw/zinc/51/33/62/1083513362.db2.gz VKNBSGAZSQXLJS-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001276839506 1083639999 /nfs/dbraw/zinc/63/99/99/1083639999.db2.gz JPUQZFVSWHEPKU-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557314 1084088154 /nfs/dbraw/zinc/08/81/54/1084088154.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557314 1084088163 /nfs/dbraw/zinc/08/81/63/1084088163.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557314 1084088174 /nfs/dbraw/zinc/08/81/74/1084088174.db2.gz OKNFZJMSVOMYBB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491247006 1084186192 /nfs/dbraw/zinc/18/61/92/1084186192.db2.gz IENKLQOOFYUOIZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937456 1084388526 /nfs/dbraw/zinc/38/85/26/1084388526.db2.gz FCNCTDVRAJSVBM-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001486147940 1085091182 /nfs/dbraw/zinc/09/11/82/1085091182.db2.gz OFDYWSJXZKHBFK-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001486147940 1085091186 /nfs/dbraw/zinc/09/11/86/1085091186.db2.gz OFDYWSJXZKHBFK-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001486175771 1085105836 /nfs/dbraw/zinc/10/58/36/1085105836.db2.gz FUDJFIKCLSYRHO-NVXWUHKLSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001486175771 1085105839 /nfs/dbraw/zinc/10/58/39/1085105839.db2.gz FUDJFIKCLSYRHO-NVXWUHKLSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001486175771 1085105844 /nfs/dbraw/zinc/10/58/44/1085105844.db2.gz FUDJFIKCLSYRHO-NVXWUHKLSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001486175771 1085105846 /nfs/dbraw/zinc/10/58/46/1085105846.db2.gz FUDJFIKCLSYRHO-NVXWUHKLSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001486413017 1085281379 /nfs/dbraw/zinc/28/13/79/1085281379.db2.gz YIIZNLWUZFVMEX-HRCADAONSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486521775 1085405026 /nfs/dbraw/zinc/40/50/26/1085405026.db2.gz MEWFVQOWNANPJZ-INIZCTEOSA-N 2 1 307.482 2.430 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486521775 1085405029 /nfs/dbraw/zinc/40/50/29/1085405029.db2.gz MEWFVQOWNANPJZ-INIZCTEOSA-N 2 1 307.482 2.430 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961413015 1085723471 /nfs/dbraw/zinc/72/34/71/1085723471.db2.gz WREFQBZFCNZUKZ-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338296 1086414922 /nfs/dbraw/zinc/41/49/22/1086414922.db2.gz VEALBHAFZMQMLS-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338296 1086414929 /nfs/dbraw/zinc/41/49/29/1086414929.db2.gz VEALBHAFZMQMLS-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000963385862 1086437827 /nfs/dbraw/zinc/43/78/27/1086437827.db2.gz NPSGYKPLQDVGKU-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001114724947 1088295251 /nfs/dbraw/zinc/29/52/51/1088295251.db2.gz WAFZVPPJIJGIAU-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114724947 1088295265 /nfs/dbraw/zinc/29/52/65/1088295265.db2.gz WAFZVPPJIJGIAU-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114724947 1088295273 /nfs/dbraw/zinc/29/52/73/1088295273.db2.gz WAFZVPPJIJGIAU-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846519 1088445939 /nfs/dbraw/zinc/44/59/39/1088445939.db2.gz RUEMLXMGLRKWFL-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846519 1088445947 /nfs/dbraw/zinc/44/59/47/1088445947.db2.gz RUEMLXMGLRKWFL-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471823 1090299031 /nfs/dbraw/zinc/29/90/31/1090299031.db2.gz OBXQCHNUGWXFLX-CRAIPNDOSA-N 2 1 324.428 2.365 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343413 /nfs/dbraw/zinc/34/34/13/1090343413.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343420 /nfs/dbraw/zinc/34/34/20/1090343420.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598709 1090343427 /nfs/dbraw/zinc/34/34/27/1090343427.db2.gz BGHOTJDGQJEIAB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016804 1090592833 /nfs/dbraw/zinc/59/28/33/1090592833.db2.gz NUAVCNRLMLGHMJ-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016804 1090592838 /nfs/dbraw/zinc/59/28/38/1090592838.db2.gz NUAVCNRLMLGHMJ-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016804 1090592847 /nfs/dbraw/zinc/59/28/47/1090592847.db2.gz NUAVCNRLMLGHMJ-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242524 /nfs/dbraw/zinc/24/25/24/1091242524.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242530 /nfs/dbraw/zinc/24/25/30/1091242530.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434307 1091242536 /nfs/dbraw/zinc/24/25/36/1091242536.db2.gz CZLVBZIFBSILOP-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001273426641 1091349488 /nfs/dbraw/zinc/34/94/88/1091349488.db2.gz CKDAAJSPQLYKOA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001273426641 1091349498 /nfs/dbraw/zinc/34/94/98/1091349498.db2.gz CKDAAJSPQLYKOA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001273426641 1091349508 /nfs/dbraw/zinc/34/95/08/1091349508.db2.gz CKDAAJSPQLYKOA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCC[N@@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274974658 1091497656 /nfs/dbraw/zinc/49/76/56/1091497656.db2.gz OMOZTAXVYDCWBY-SFHVURJKSA-N 2 1 309.498 2.071 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001275009086 1091512128 /nfs/dbraw/zinc/51/21/28/1091512128.db2.gz ASIXKKBZMLDDMW-RRFJBIMHSA-N 2 1 302.422 2.060 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275109241 1091563702 /nfs/dbraw/zinc/56/37/02/1091563702.db2.gz YDHPUHFKZYVLMM-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001671084527 1091762922 /nfs/dbraw/zinc/76/29/22/1091762922.db2.gz CELXLBDVXOZWBZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671084527 1091762930 /nfs/dbraw/zinc/76/29/30/1091762930.db2.gz CELXLBDVXOZWBZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671084527 1091762940 /nfs/dbraw/zinc/76/29/40/1091762940.db2.gz CELXLBDVXOZWBZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775638 1091928507 /nfs/dbraw/zinc/92/85/07/1091928507.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775638 1091928511 /nfs/dbraw/zinc/92/85/11/1091928511.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775638 1091928519 /nfs/dbraw/zinc/92/85/19/1091928519.db2.gz NOTPFKBURTZYLV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711734 1092008816 /nfs/dbraw/zinc/00/88/16/1092008816.db2.gz HDLPOIICRUWITN-LJQANCHMSA-N 2 1 313.445 2.114 20 30 DEEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001488947183 1092843863 /nfs/dbraw/zinc/84/38/63/1092843863.db2.gz KXSDEDSLSQYWOW-RCCFBDPRSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447882 1093362513 /nfs/dbraw/zinc/36/25/13/1093362513.db2.gz JWBYOVNJQHVDHS-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001490623163 1093450149 /nfs/dbraw/zinc/45/01/49/1093450149.db2.gz JTLLLWPOGFLTGO-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110662 1093803017 /nfs/dbraw/zinc/80/30/17/1093803017.db2.gz MENAEDPCZIQHQW-LJQANCHMSA-N 2 1 324.428 2.335 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110662 1093803023 /nfs/dbraw/zinc/80/30/23/1093803023.db2.gz MENAEDPCZIQHQW-LJQANCHMSA-N 2 1 324.428 2.335 20 30 DEEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278168610 1138812604 /nfs/dbraw/zinc/81/26/04/1138812604.db2.gz FCEMHSIXCDEXFE-FUHWJXTLSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001491604050 1140243833 /nfs/dbraw/zinc/24/38/33/1140243833.db2.gz XUEFPGWVRHALAW-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC(C)(C)C ZINC001318537041 1140361363 /nfs/dbraw/zinc/36/13/63/1140361363.db2.gz JHRDOQPZVHCLGB-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC(C)(C)C ZINC001318537041 1140361373 /nfs/dbraw/zinc/36/13/73/1140361373.db2.gz JHRDOQPZVHCLGB-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001319000132 1140488983 /nfs/dbraw/zinc/48/89/83/1140488983.db2.gz KRDQGEOAISPUQX-MRXNPFEDSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001319019374 1140490668 /nfs/dbraw/zinc/49/06/68/1140490668.db2.gz KXFKVFHBRBXRMI-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001319918468 1140803620 /nfs/dbraw/zinc/80/36/20/1140803620.db2.gz PJPKSAXGSQYFPK-IAGOWNOFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048339 1140816056 /nfs/dbraw/zinc/81/60/56/1140816056.db2.gz PCNZZVMDLLUUKL-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320048339 1140816057 /nfs/dbraw/zinc/81/60/57/1140816057.db2.gz PCNZZVMDLLUUKL-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001320181783 1140835269 /nfs/dbraw/zinc/83/52/69/1140835269.db2.gz DEZORZQLNXEMGN-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP CCCCCCC[C@H](C)[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246624046 1141009241 /nfs/dbraw/zinc/00/92/41/1141009241.db2.gz DGPJHBRVNYLNOR-YJBOKZPZSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246730683 1141046215 /nfs/dbraw/zinc/04/62/15/1141046215.db2.gz AEHLSSKYPSUMFG-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001324162447 1142020586 /nfs/dbraw/zinc/02/05/86/1142020586.db2.gz KOKDOUXLZGLLLP-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001324340195 1142057987 /nfs/dbraw/zinc/05/79/87/1142057987.db2.gz QWBCBRICLILLJA-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324556753 1142099108 /nfs/dbraw/zinc/09/91/08/1142099108.db2.gz LLBSSEJJTLDFEX-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001278662479 1142694441 /nfs/dbraw/zinc/69/44/41/1142694441.db2.gz CGZYRANESALAND-RDJZCZTQSA-N 2 1 313.461 2.071 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@H]2CCOC2)C1 ZINC001338380437 1142852309 /nfs/dbraw/zinc/85/23/09/1142852309.db2.gz CCVGFBMEPRAVQZ-HZPDHXFCSA-N 2 1 324.513 2.089 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC001338492610 1142859312 /nfs/dbraw/zinc/85/93/12/1142859312.db2.gz VISPLEAAFHKHGA-APWZRJJASA-N 2 1 300.446 2.228 20 30 DEEDMP C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342535154 1143822556 /nfs/dbraw/zinc/82/25/56/1143822556.db2.gz HBDGEWMNMOCBSH-BHYGNILZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627134 1143858391 /nfs/dbraw/zinc/85/83/91/1143858391.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627134 1143858392 /nfs/dbraw/zinc/85/83/92/1143858392.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627134 1143858393 /nfs/dbraw/zinc/85/83/93/1143858393.db2.gz ZSGYRZKXJBLRGB-VUXNLXKLSA-N 2 1 320.477 2.438 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805948 1144396799 /nfs/dbraw/zinc/39/67/99/1144396799.db2.gz ZAMOZCIFCCRRKX-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805948 1144396803 /nfs/dbraw/zinc/39/68/03/1144396803.db2.gz ZAMOZCIFCCRRKX-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001263993374 1144439086 /nfs/dbraw/zinc/43/90/86/1144439086.db2.gz CHHNDGLBBIQYRN-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC001264176552 1144494605 /nfs/dbraw/zinc/49/46/05/1144494605.db2.gz GHYQOILQQKTIOX-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001264176552 1144494609 /nfs/dbraw/zinc/49/46/09/1144494609.db2.gz GHYQOILQQKTIOX-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001264176552 1144494616 /nfs/dbraw/zinc/49/46/16/1144494616.db2.gz GHYQOILQQKTIOX-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001264185816 1144501878 /nfs/dbraw/zinc/50/18/78/1144501878.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264185816 1144501883 /nfs/dbraw/zinc/50/18/83/1144501883.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001264185816 1144501887 /nfs/dbraw/zinc/50/18/87/1144501887.db2.gz KRWDJRFNAQLSRL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265114817 1144647968 /nfs/dbraw/zinc/64/79/68/1144647968.db2.gz PLJYAGISHAUBQH-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265114817 1144647971 /nfs/dbraw/zinc/64/79/71/1144647971.db2.gz PLJYAGISHAUBQH-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001265114817 1144647972 /nfs/dbraw/zinc/64/79/72/1144647972.db2.gz PLJYAGISHAUBQH-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265306047 1144688857 /nfs/dbraw/zinc/68/88/57/1144688857.db2.gz ISTGIHVYJHMEHE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265374498 1144699465 /nfs/dbraw/zinc/69/94/65/1144699465.db2.gz NTCLXELOLPTGJU-DLBZAZTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001265670288 1144725235 /nfs/dbraw/zinc/72/52/35/1144725235.db2.gz MXQZGNSEDOFRRI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266099369 1144805170 /nfs/dbraw/zinc/80/51/70/1144805170.db2.gz FDIXOXALSNPMJP-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266112853 1144806641 /nfs/dbraw/zinc/80/66/41/1144806641.db2.gz BMIJIRNBPJYAOD-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001280381044 1144837426 /nfs/dbraw/zinc/83/74/26/1144837426.db2.gz FNNQHOBGOCUOAU-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001280769716 1144854099 /nfs/dbraw/zinc/85/40/99/1144854099.db2.gz KFGOQXXMSOFJPW-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001281049878 1144870516 /nfs/dbraw/zinc/87/05/16/1144870516.db2.gz NDTMSROOVIPACQ-CALCHBBNSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001281049567 1144870528 /nfs/dbraw/zinc/87/05/28/1144870528.db2.gz FJFCQZAHPBFUIF-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001281830666 1144915576 /nfs/dbraw/zinc/91/55/76/1144915576.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281830666 1144915577 /nfs/dbraw/zinc/91/55/77/1144915577.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001281830666 1144915578 /nfs/dbraw/zinc/91/55/78/1144915578.db2.gz LDMYRZKVMYBKPA-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001282015884 1144928477 /nfs/dbraw/zinc/92/84/77/1144928477.db2.gz QCYBWOBMBRMSKW-JCYILVPMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284604537 1145877975 /nfs/dbraw/zinc/87/79/75/1145877975.db2.gz QNRJHMYKMRTOGP-JKSUJKDBSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001316638436 1146077743 /nfs/dbraw/zinc/07/77/43/1146077743.db2.gz VZIDSBKCXOKOIO-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205024 1147274921 /nfs/dbraw/zinc/27/49/21/1147274921.db2.gz OTKLNPDYFPJMNU-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001317503477 1147536068 /nfs/dbraw/zinc/53/60/68/1147536068.db2.gz NXOYPGGZGYIDFT-HNNXBMFYSA-N 2 1 304.438 2.083 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317045054 1147581202 /nfs/dbraw/zinc/58/12/02/1147581202.db2.gz OHTUUYMZJJFUPJ-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317064511 1147655318 /nfs/dbraw/zinc/65/53/18/1147655318.db2.gz RWZXJIOGYSRMDM-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317158472 1147667951 /nfs/dbraw/zinc/66/79/51/1147667951.db2.gz UOVHJXBUVDJBHM-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203860 1147676111 /nfs/dbraw/zinc/67/61/11/1147676111.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001317203860 1147676113 /nfs/dbraw/zinc/67/61/13/1147676113.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001317203860 1147676114 /nfs/dbraw/zinc/67/61/14/1147676114.db2.gz APIQINQMPZNLOM-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(Cl)CN(C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001367539451 1147712202 /nfs/dbraw/zinc/71/22/02/1147712202.db2.gz ZYUTYRJXCLDCOR-UHFFFAOYSA-N 2 1 303.878 2.107 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001317708474 1147746170 /nfs/dbraw/zinc/74/61/70/1147746170.db2.gz CJNXVCHKTXUQLS-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001317723398 1147747537 /nfs/dbraw/zinc/74/75/37/1147747537.db2.gz GNHOHVSAXHGBFG-SJLPKXTDSA-N 2 1 315.461 2.351 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317759927 1147749604 /nfs/dbraw/zinc/74/96/04/1147749604.db2.gz VWTYZCZWNVZXSQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317759927 1147749605 /nfs/dbraw/zinc/74/96/05/1147749605.db2.gz VWTYZCZWNVZXSQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317759927 1147749606 /nfs/dbraw/zinc/74/96/06/1147749606.db2.gz VWTYZCZWNVZXSQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317759927 1147749608 /nfs/dbraw/zinc/74/96/08/1147749608.db2.gz VWTYZCZWNVZXSQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001317879930 1147760044 /nfs/dbraw/zinc/76/00/44/1147760044.db2.gz NJGGQZXDASTGPT-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001318225264 1147801100 /nfs/dbraw/zinc/80/11/00/1147801100.db2.gz WFFBKWGYHCOSRV-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318225264 1147801104 /nfs/dbraw/zinc/80/11/04/1147801104.db2.gz WFFBKWGYHCOSRV-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318225264 1147801109 /nfs/dbraw/zinc/80/11/09/1147801109.db2.gz WFFBKWGYHCOSRV-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675709 1147829740 /nfs/dbraw/zinc/82/97/40/1147829740.db2.gz ZFYSZPSFMDHZAH-YOEHRIQHSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675709 1147829743 /nfs/dbraw/zinc/82/97/43/1147829743.db2.gz ZFYSZPSFMDHZAH-YOEHRIQHSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001326899379 1148284780 /nfs/dbraw/zinc/28/47/80/1148284780.db2.gz OASHIFZTLVLXRZ-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@@H](C)O1 ZINC000092587209 185327647 /nfs/dbraw/zinc/32/76/47/185327647.db2.gz ZXXXZXCDQRYKPT-HUUCEWRRSA-N 2 1 317.433 2.472 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000073436487 354959029 /nfs/dbraw/zinc/95/90/29/354959029.db2.gz JSGXKLMROSIROK-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C[C@H](C#N)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000183839705 356181173 /nfs/dbraw/zinc/18/11/73/356181173.db2.gz IOGWOJDYZOUSKS-OAHLLOKOSA-N 2 1 300.450 2.466 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(C#N)cc1 ZINC000595388246 358436987 /nfs/dbraw/zinc/43/69/87/358436987.db2.gz DLDIUDQMTCHEKL-CEXWTWQISA-N 2 1 313.445 2.284 20 30 DEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc2c(c1C#N)CCC2 ZINC000596360892 358672314 /nfs/dbraw/zinc/67/23/14/358672314.db2.gz HMWUWESIOIMXQO-AWEZNQCLSA-N 2 1 315.465 2.126 20 30 DEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc2c(c1C#N)CCC2 ZINC000596360892 358672317 /nfs/dbraw/zinc/67/23/17/358672317.db2.gz HMWUWESIOIMXQO-AWEZNQCLSA-N 2 1 315.465 2.126 20 30 DEEDMP CC(C)(CC#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968205 360212989 /nfs/dbraw/zinc/21/29/89/360212989.db2.gz YLBLHDZOWIQUJR-SFHVURJKSA-N 2 1 301.434 2.153 20 30 DEEDMP CC(C)(CC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968205 360212990 /nfs/dbraw/zinc/21/29/90/360212990.db2.gz YLBLHDZOWIQUJR-SFHVURJKSA-N 2 1 301.434 2.153 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CC1)c1cccc(OC)c1 ZINC000066242697 402129576 /nfs/dbraw/zinc/12/95/76/402129576.db2.gz OEAGOTBGYHPVBF-INIZCTEOSA-N 2 1 304.438 2.145 20 30 DEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177383483 402396758 /nfs/dbraw/zinc/39/67/58/402396758.db2.gz FZFVPLDAZMONHJ-UHFFFAOYSA-N 2 1 300.450 2.016 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171716901 402613705 /nfs/dbraw/zinc/61/37/05/402613705.db2.gz DLYLIUGKZFKFAL-KRWDZBQOSA-N 2 1 301.434 2.056 20 30 DEEDMP CCC[N@H+](CC#Cc1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000344126286 403927105 /nfs/dbraw/zinc/92/71/05/403927105.db2.gz GVIJKMQXKUXNON-UHFFFAOYSA-N 2 1 313.489 2.388 20 30 DEEDMP C=CCOCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000348101196 404039807 /nfs/dbraw/zinc/03/98/07/404039807.db2.gz KGOCCVKFUSBKQS-IBGZPJMESA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000348101196 404039813 /nfs/dbraw/zinc/03/98/13/404039813.db2.gz KGOCCVKFUSBKQS-IBGZPJMESA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348101196 404039818 /nfs/dbraw/zinc/03/98/18/404039818.db2.gz KGOCCVKFUSBKQS-IBGZPJMESA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348101196 404039826 /nfs/dbraw/zinc/03/98/26/404039826.db2.gz KGOCCVKFUSBKQS-IBGZPJMESA-N 2 1 318.461 2.148 20 30 DEEDMP C=CC[C@@H](CO)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344326142 404059052 /nfs/dbraw/zinc/05/90/52/404059052.db2.gz NKPRJWKRVLZKDR-CYBMUJFWSA-N 2 1 309.479 2.184 20 30 DEEDMP C=CC[C@@H](CO)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344326142 404059058 /nfs/dbraw/zinc/05/90/58/404059058.db2.gz NKPRJWKRVLZKDR-CYBMUJFWSA-N 2 1 309.479 2.184 20 30 DEEDMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329942173 404502456 /nfs/dbraw/zinc/50/24/56/404502456.db2.gz VJKQJFZSPPISAG-VNQPRFMTSA-N 2 1 319.405 2.059 20 30 DEEDMP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329942173 404502460 /nfs/dbraw/zinc/50/24/60/404502460.db2.gz VJKQJFZSPPISAG-VNQPRFMTSA-N 2 1 319.405 2.059 20 30 DEEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000490924195 406507965 /nfs/dbraw/zinc/50/79/65/406507965.db2.gz OERYGLOCNGBVKB-QGZVFWFLSA-N 2 1 321.509 2.204 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000261965841 225260809 /nfs/dbraw/zinc/26/08/09/225260809.db2.gz BDXKHOBZILZQHV-KRWDZBQOSA-N 2 1 302.466 2.030 20 30 DEEDMP N#CCCOCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000339136493 226180342 /nfs/dbraw/zinc/18/03/42/226180342.db2.gz UUSIIUCTTHJWPW-UHFFFAOYSA-N 2 1 302.422 2.329 20 30 DEEDMP C=CC[C@@]1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707894 425719267 /nfs/dbraw/zinc/71/92/67/425719267.db2.gz OHCKMQJBBOOEOT-SFHVURJKSA-N 2 1 305.466 2.162 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271972 276387798 /nfs/dbraw/zinc/38/77/98/276387798.db2.gz BKNYTWVBMMXLFW-APWZRJJASA-N 2 1 312.461 2.331 20 30 DEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000374175768 277036293 /nfs/dbraw/zinc/03/62/93/277036293.db2.gz RMZACXWQSRMIRO-GOSISDBHSA-N 2 1 313.445 2.399 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001329759431 1148988516 /nfs/dbraw/zinc/98/85/16/1148988516.db2.gz CAVGQOIEUSWDNC-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP Cc1cc(N2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)nc(C)[nH+]1 ZINC000583417322 332395714 /nfs/dbraw/zinc/39/57/14/332395714.db2.gz VCBYGINJCNNCJQ-OAHLLOKOSA-N 2 1 312.421 2.095 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244291 1149078993 /nfs/dbraw/zinc/07/89/93/1149078993.db2.gz KHNITLXFUBNVQQ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244291 1149079001 /nfs/dbraw/zinc/07/90/01/1149079001.db2.gz KHNITLXFUBNVQQ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)N1 ZINC000262628008 533989734 /nfs/dbraw/zinc/98/97/34/533989734.db2.gz DXHWMFQSWIZYGT-CABCVRRESA-N 2 1 300.450 2.356 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001401954265 1162195457 /nfs/dbraw/zinc/19/54/57/1162195457.db2.gz SPJZLGUDLREVLK-CQSZACIVSA-N 2 1 313.873 2.098 20 30 DEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000377656267 527433600 /nfs/dbraw/zinc/43/36/00/527433600.db2.gz RVDMMUDUVNPGRY-YLJYHZDGSA-N 2 1 311.473 2.126 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151842 529075131 /nfs/dbraw/zinc/07/51/31/529075131.db2.gz YQVKFVDZCGWCFD-GFCCVEGCSA-N 2 1 324.856 2.237 20 30 DEEDMP C#CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001330538142 1149183718 /nfs/dbraw/zinc/18/37/18/1149183718.db2.gz ZRCYGXJXBPYWAB-UHFFFAOYSA-N 2 1 301.409 2.175 20 30 DEEDMP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001330538142 1149183739 /nfs/dbraw/zinc/18/37/39/1149183739.db2.gz ZRCYGXJXBPYWAB-UHFFFAOYSA-N 2 1 301.409 2.175 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464098 625282543 /nfs/dbraw/zinc/28/25/43/625282543.db2.gz CGDHUJZEFVJNDP-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253907 625309519 /nfs/dbraw/zinc/30/95/19/625309519.db2.gz YGEXKWPOHQQKBJ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253907 625309526 /nfs/dbraw/zinc/30/95/26/625309526.db2.gz YGEXKWPOHQQKBJ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253907 625309536 /nfs/dbraw/zinc/30/95/36/625309536.db2.gz YGEXKWPOHQQKBJ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023561422 625325478 /nfs/dbraw/zinc/32/54/78/625325478.db2.gz ZYEWNNQQGBKJHR-OAHLLOKOSA-N 2 1 319.449 2.359 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972701068 625469113 /nfs/dbraw/zinc/46/91/13/625469113.db2.gz SHKLFFROWAXICQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972701068 625469114 /nfs/dbraw/zinc/46/91/14/625469114.db2.gz SHKLFFROWAXICQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972701068 625469117 /nfs/dbraw/zinc/46/91/17/625469117.db2.gz SHKLFFROWAXICQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001026592600 625549485 /nfs/dbraw/zinc/54/94/85/625549485.db2.gz HYXJNIZWWJQVSU-NFOMZHRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000970802824 623691387 /nfs/dbraw/zinc/69/13/87/623691387.db2.gz DIHICBAKFHOEEJ-CVEARBPZSA-N 2 1 321.852 2.232 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636349 623871067 /nfs/dbraw/zinc/87/10/67/623871067.db2.gz POSAIMZYDWLCTC-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636349 623871073 /nfs/dbraw/zinc/87/10/73/623871073.db2.gz POSAIMZYDWLCTC-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698883 623981371 /nfs/dbraw/zinc/98/13/71/623981371.db2.gz FEJQXGZLYZKJKF-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971712288 624517574 /nfs/dbraw/zinc/51/75/74/624517574.db2.gz IPHLUKMJRHCXTN-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971712288 624517579 /nfs/dbraw/zinc/51/75/79/624517579.db2.gz IPHLUKMJRHCXTN-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971712288 624517586 /nfs/dbraw/zinc/51/75/86/624517586.db2.gz IPHLUKMJRHCXTN-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971712288 624517588 /nfs/dbraw/zinc/51/75/88/624517588.db2.gz IPHLUKMJRHCXTN-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588074 624763671 /nfs/dbraw/zinc/76/36/71/624763671.db2.gz CILBHKVFFZYGAG-UXLLHSPISA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[C@H]1CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000934459024 624881867 /nfs/dbraw/zinc/88/18/67/624881867.db2.gz AWDAZCDLBYIGPE-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189611 624882277 /nfs/dbraw/zinc/88/22/77/624882277.db2.gz SNXIWJDNDAMYFR-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506453 624927053 /nfs/dbraw/zinc/92/70/53/624927053.db2.gz QFUDRPGRWNPUKV-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000998868705 634429342 /nfs/dbraw/zinc/42/93/42/634429342.db2.gz XQHXXQYGZCVDET-YMAMQOFZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479152 625113995 /nfs/dbraw/zinc/11/39/95/625113995.db2.gz RYAMQONVJSVFMG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557229 625876878 /nfs/dbraw/zinc/87/68/78/625876878.db2.gz OXNXWNKHELBBKT-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999574264 634634614 /nfs/dbraw/zinc/63/46/14/634634614.db2.gz MRXSLIWGUMFJEI-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194257 633210314 /nfs/dbraw/zinc/21/03/14/633210314.db2.gz GMTDWAIUUFNROM-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996677691 633347650 /nfs/dbraw/zinc/34/76/50/633347650.db2.gz WVSCWDYWVRPEQR-SJORKVTESA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974882538 633351828 /nfs/dbraw/zinc/35/18/28/633351828.db2.gz JYFSZULMIZOAPZ-KRWDZBQOSA-N 2 1 324.428 2.499 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943374 633375405 /nfs/dbraw/zinc/37/54/05/633375405.db2.gz GBCOGJCZVROTDH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974943374 633375407 /nfs/dbraw/zinc/37/54/07/633375407.db2.gz GBCOGJCZVROTDH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975107326 633422747 /nfs/dbraw/zinc/42/27/47/633422747.db2.gz ZMYDCZLZWVEFAI-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975107326 633422748 /nfs/dbraw/zinc/42/27/48/633422748.db2.gz ZMYDCZLZWVEFAI-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997137577 633620155 /nfs/dbraw/zinc/62/01/55/633620155.db2.gz JXNUGRKOZWHLHZ-GDBMZVCRSA-N 2 1 316.449 2.163 20 30 DEEDMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CC#Cc2ccccc2)C1 ZINC000893489063 633876942 /nfs/dbraw/zinc/87/69/42/633876942.db2.gz XJLBVZQAPQSVRO-NRFANRHFSA-N 2 1 320.436 2.395 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977420420 633978995 /nfs/dbraw/zinc/97/89/95/633978995.db2.gz ITGQVMDVRJCOJK-MRXNPFEDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998188294 634163100 /nfs/dbraw/zinc/16/31/00/634163100.db2.gz JDXRLRFROQKIPQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998188294 634163104 /nfs/dbraw/zinc/16/31/04/634163104.db2.gz JDXRLRFROQKIPQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998188294 634163106 /nfs/dbraw/zinc/16/31/06/634163106.db2.gz JDXRLRFROQKIPQ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980083294 634844974 /nfs/dbraw/zinc/84/49/74/634844974.db2.gz IAKNKFHORXOGHA-BBWFWOEESA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ncc[nH]3)C[C@H]2C1 ZINC000980232336 634907755 /nfs/dbraw/zinc/90/77/55/634907755.db2.gz WGYIKGYKTKZLNR-JYJNAYRXSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486683 635018395 /nfs/dbraw/zinc/01/83/95/635018395.db2.gz VMJMNFDYTJJGEF-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404145 635487979 /nfs/dbraw/zinc/48/79/79/635487979.db2.gz GZABJMDKRJMXEL-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001924130 635577900 /nfs/dbraw/zinc/57/79/00/635577900.db2.gz JKRZEDZCYKMZGE-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160756 635893086 /nfs/dbraw/zinc/89/30/86/635893086.db2.gz CZGYWINTUFPUSO-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776069 636052131 /nfs/dbraw/zinc/05/21/31/636052131.db2.gz HJVMGZZQEOIRNP-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982618306 636312763 /nfs/dbraw/zinc/31/27/63/636312763.db2.gz VEVKCQRFBKKLCL-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004458817 636459202 /nfs/dbraw/zinc/45/92/02/636459202.db2.gz QWKSIFYPNHJZAM-ZWKOTPCHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594450 636463309 /nfs/dbraw/zinc/46/33/09/636463309.db2.gz GZOHPFMJBIBSPH-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594450 636463312 /nfs/dbraw/zinc/46/33/12/636463312.db2.gz GZOHPFMJBIBSPH-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594450 636463315 /nfs/dbraw/zinc/46/33/15/636463315.db2.gz GZOHPFMJBIBSPH-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187056195 636907488 /nfs/dbraw/zinc/90/74/88/636907488.db2.gz KGZVKNWOSOPIAH-KRWDZBQOSA-N 2 1 302.466 2.376 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717410 636907770 /nfs/dbraw/zinc/90/77/70/636907770.db2.gz SPEWAJYQMJHODQ-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717410 636907775 /nfs/dbraw/zinc/90/77/75/636907775.db2.gz SPEWAJYQMJHODQ-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717410 636907780 /nfs/dbraw/zinc/90/77/80/636907780.db2.gz SPEWAJYQMJHODQ-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003025 636944220 /nfs/dbraw/zinc/94/42/20/636944220.db2.gz GYVOYWVMZHAWCH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003026 636944331 /nfs/dbraw/zinc/94/43/31/636944331.db2.gz GYVOYWVMZHAWCH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000928625134 638656040 /nfs/dbraw/zinc/65/60/40/638656040.db2.gz QROALNHPNVKUCG-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989451533 641011785 /nfs/dbraw/zinc/01/17/85/641011785.db2.gz TXYKTVHAHCNLJR-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945759 /nfs/dbraw/zinc/94/57/59/641945759.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945764 /nfs/dbraw/zinc/94/57/64/641945764.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759594 641945770 /nfs/dbraw/zinc/94/57/70/641945770.db2.gz DQHUJRKLTSUDTL-DFGXFYAUSA-N 2 1 305.466 2.016 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000783292315 642992862 /nfs/dbraw/zinc/99/28/62/642992862.db2.gz AEIAYLXPEPLDDS-BEFAXECRSA-N 2 1 321.428 2.348 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000783292315 642992869 /nfs/dbraw/zinc/99/28/69/642992869.db2.gz AEIAYLXPEPLDDS-BEFAXECRSA-N 2 1 321.428 2.348 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000907403127 644532464 /nfs/dbraw/zinc/53/24/64/644532464.db2.gz DOZCWQLGVKSFAQ-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000907794806 644648074 /nfs/dbraw/zinc/64/80/74/644648074.db2.gz BCZFIEZBYDBDBH-UHFFFAOYSA-N 2 1 317.433 2.268 20 30 DEEDMP C(CNN=C1CCCC[C@H]1[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000799487345 645179607 /nfs/dbraw/zinc/17/96/07/645179607.db2.gz KYJDNUGHGITLQS-GOSISDBHSA-N 2 1 322.497 2.083 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353000 646955899 /nfs/dbraw/zinc/95/58/99/646955899.db2.gz QOBGSNPOMZGCCI-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353000 646955901 /nfs/dbraw/zinc/95/59/01/646955901.db2.gz QOBGSNPOMZGCCI-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994425341 647946353 /nfs/dbraw/zinc/94/63/53/647946353.db2.gz SBLDJNUWVKJUBN-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994425341 647946356 /nfs/dbraw/zinc/94/63/56/647946356.db2.gz SBLDJNUWVKJUBN-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940991934 648983538 /nfs/dbraw/zinc/98/35/38/648983538.db2.gz UCIIWVVGKQVTGF-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203333 649183153 /nfs/dbraw/zinc/18/31/53/649183153.db2.gz GXUCUBSYSZOGKB-RDTXWAMCSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257920 649192044 /nfs/dbraw/zinc/19/20/44/649192044.db2.gz MUWZSIDMMHHLBG-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518565 649232632 /nfs/dbraw/zinc/23/26/32/649232632.db2.gz TZNTWQCYBZWCPT-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514984 649387043 /nfs/dbraw/zinc/38/70/43/649387043.db2.gz DRZNZZNOMFUXSI-MAUKXSAKSA-N 2 1 315.461 2.374 20 30 DEEDMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000304743073 685258660 /nfs/dbraw/zinc/25/86/60/685258660.db2.gz CWAGWWQNFHSECB-UHFFFAOYSA-N 2 1 308.426 2.162 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148808 693862995 /nfs/dbraw/zinc/86/29/95/693862995.db2.gz WNMIUPIWHXHLOX-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160003 693866541 /nfs/dbraw/zinc/86/65/41/693866541.db2.gz SJXSVLIGSYBAIM-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187615 693874775 /nfs/dbraw/zinc/87/47/75/693874775.db2.gz WFDVFKBIDWRELY-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)c1cccc(OC)c1 ZINC000303403099 685232463 /nfs/dbraw/zinc/23/24/63/685232463.db2.gz NSISIHYAAZBEDH-QGZVFWFLSA-N 2 1 318.465 2.406 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@@H]1C ZINC000303907781 685239973 /nfs/dbraw/zinc/23/99/73/685239973.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303907781 685239980 /nfs/dbraw/zinc/23/99/80/685239980.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000303907781 685239987 /nfs/dbraw/zinc/23/99/87/685239987.db2.gz XAZBVXHMJLYFRF-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983045 685241897 /nfs/dbraw/zinc/24/18/97/685241897.db2.gz QVKPGNFENZTTEI-CQSZACIVSA-N 2 1 323.510 2.198 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000929779539 694026833 /nfs/dbraw/zinc/02/68/33/694026833.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000929779539 694026837 /nfs/dbraw/zinc/02/68/37/694026837.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000929779539 694026842 /nfs/dbraw/zinc/02/68/42/694026842.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000929779539 694026848 /nfs/dbraw/zinc/02/68/48/694026848.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000929779539 694026853 /nfs/dbraw/zinc/02/68/53/694026853.db2.gz BFCLDBUSKGWOMQ-CRAIPNDOSA-N 2 1 313.445 2.411 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016329685 687593047 /nfs/dbraw/zinc/59/30/47/687593047.db2.gz MGYAAWSKWMHTKM-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652744 687674617 /nfs/dbraw/zinc/67/46/17/687674617.db2.gz WILUTYIDUQTKMD-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654255 687675842 /nfs/dbraw/zinc/67/58/42/687675842.db2.gz FHHSEYDLCFXSOH-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016790865 687703998 /nfs/dbraw/zinc/70/39/98/687703998.db2.gz QOTFFFXPGKWCBP-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017632934 687928498 /nfs/dbraw/zinc/92/84/98/687928498.db2.gz NPVJTBMISICZEB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632934 687928504 /nfs/dbraw/zinc/92/85/04/687928504.db2.gz NPVJTBMISICZEB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632934 687928510 /nfs/dbraw/zinc/92/85/10/687928510.db2.gz NPVJTBMISICZEB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001017835190 687969173 /nfs/dbraw/zinc/96/91/73/687969173.db2.gz GPTHCAPXELVHHZ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017835190 687969178 /nfs/dbraw/zinc/96/91/78/687969178.db2.gz GPTHCAPXELVHHZ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835190 687969183 /nfs/dbraw/zinc/96/91/83/687969183.db2.gz GPTHCAPXELVHHZ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835190 687969186 /nfs/dbraw/zinc/96/91/86/687969186.db2.gz GPTHCAPXELVHHZ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176366 688071264 /nfs/dbraw/zinc/07/12/64/688071264.db2.gz HVYJAHMYICZMRI-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176529 688071366 /nfs/dbraw/zinc/07/13/66/688071366.db2.gz KSUNPPKTECXILA-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176529 688071371 /nfs/dbraw/zinc/07/13/71/688071371.db2.gz KSUNPPKTECXILA-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018302410 688105227 /nfs/dbraw/zinc/10/52/27/688105227.db2.gz OWZTXMWPRVRGDT-VQHPVUNQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018968177 688263352 /nfs/dbraw/zinc/26/33/52/688263352.db2.gz XAAVJPPEFCHBCH-LSDHHAIUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730563 688987005 /nfs/dbraw/zinc/98/70/05/688987005.db2.gz REYNVZJBCYDROZ-GOSISDBHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730163 688987274 /nfs/dbraw/zinc/98/72/74/688987274.db2.gz GFRABBXITPROGF-QGZVFWFLSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577089 689549362 /nfs/dbraw/zinc/54/93/62/689549362.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577089 689549363 /nfs/dbraw/zinc/54/93/63/689549363.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577089 689549365 /nfs/dbraw/zinc/54/93/65/689549365.db2.gz ZEAMEPOLQBINOA-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835370 689632494 /nfs/dbraw/zinc/63/24/94/689632494.db2.gz OSNUPHYZWFEGGQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835370 689632496 /nfs/dbraw/zinc/63/24/96/689632496.db2.gz OSNUPHYZWFEGGQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835370 689632497 /nfs/dbraw/zinc/63/24/97/689632497.db2.gz OSNUPHYZWFEGGQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856722 689640550 /nfs/dbraw/zinc/64/05/50/689640550.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856722 689640552 /nfs/dbraw/zinc/64/05/52/689640552.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856722 689640554 /nfs/dbraw/zinc/64/05/54/689640554.db2.gz VYNAYYOAMGYKDU-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204255 689761717 /nfs/dbraw/zinc/76/17/17/689761717.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204255 689761722 /nfs/dbraw/zinc/76/17/22/689761722.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204255 689761725 /nfs/dbraw/zinc/76/17/25/689761725.db2.gz LDKQVRNCSYVIHQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250742 689780764 /nfs/dbraw/zinc/78/07/64/689780764.db2.gz SDVQXAKMFSRRKI-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250742 689780766 /nfs/dbraw/zinc/78/07/66/689780766.db2.gz SDVQXAKMFSRRKI-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250742 689780769 /nfs/dbraw/zinc/78/07/69/689780769.db2.gz SDVQXAKMFSRRKI-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250746 689782564 /nfs/dbraw/zinc/78/25/64/689782564.db2.gz SDVQXAKMFSRRKI-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250746 689782566 /nfs/dbraw/zinc/78/25/66/689782566.db2.gz SDVQXAKMFSRRKI-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250746 689782568 /nfs/dbraw/zinc/78/25/68/689782568.db2.gz SDVQXAKMFSRRKI-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269225 689788200 /nfs/dbraw/zinc/78/82/00/689788200.db2.gz CJTQBBMRDZOJEB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269225 689788203 /nfs/dbraw/zinc/78/82/03/689788203.db2.gz CJTQBBMRDZOJEB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269225 689788207 /nfs/dbraw/zinc/78/82/07/689788207.db2.gz CJTQBBMRDZOJEB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269225 689788210 /nfs/dbraw/zinc/78/82/10/689788210.db2.gz CJTQBBMRDZOJEB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330971 689811424 /nfs/dbraw/zinc/81/14/24/689811424.db2.gz QQBMOKJWOVCEGS-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386874 689829991 /nfs/dbraw/zinc/82/99/91/689829991.db2.gz UXBJCWXUCJZSLL-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034394577 689833315 /nfs/dbraw/zinc/83/33/15/689833315.db2.gz PJTGJBIYELLQNX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034394577 689833316 /nfs/dbraw/zinc/83/33/16/689833316.db2.gz PJTGJBIYELLQNX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034394577 689833318 /nfs/dbraw/zinc/83/33/18/689833318.db2.gz PJTGJBIYELLQNX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437523 689850674 /nfs/dbraw/zinc/85/06/74/689850674.db2.gz GXAQCTAUYKXXOG-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437049 689850823 /nfs/dbraw/zinc/85/08/23/689850823.db2.gz CZQCMXRSUMIMEP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437049 689850824 /nfs/dbraw/zinc/85/08/24/689850824.db2.gz CZQCMXRSUMIMEP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034437049 689850826 /nfs/dbraw/zinc/85/08/26/689850826.db2.gz CZQCMXRSUMIMEP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474993 689863757 /nfs/dbraw/zinc/86/37/57/689863757.db2.gz OMPSRAIHGWZDEG-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034642761 689917130 /nfs/dbraw/zinc/91/71/30/689917130.db2.gz LAXLHUKFZOGTDN-ULQDDVLXSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876742214 689923880 /nfs/dbraw/zinc/92/38/80/689923880.db2.gz ZVZLYJDSXWRDOK-CZUORRHYSA-N 2 1 321.852 2.019 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876764671 689930101 /nfs/dbraw/zinc/93/01/01/689930101.db2.gz PVCVFGASQFMTEF-ZBFHGGJFSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876764671 689930106 /nfs/dbraw/zinc/93/01/06/689930106.db2.gz PVCVFGASQFMTEF-ZBFHGGJFSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773949 689933059 /nfs/dbraw/zinc/93/30/59/689933059.db2.gz ZGECCRFGUAJQGU-HZPDHXFCSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000877221486 690049261 /nfs/dbraw/zinc/04/92/61/690049261.db2.gz PUCNOKGUDUIUDJ-CVEARBPZSA-N 2 1 321.852 2.155 20 30 DEEDMP COCC[N@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000877665428 690183376 /nfs/dbraw/zinc/18/33/76/690183376.db2.gz VBMDDOKEFRGFKL-UHFFFAOYSA-N 2 1 307.463 2.410 20 30 DEEDMP C#CCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000878245797 690357283 /nfs/dbraw/zinc/35/72/83/690357283.db2.gz HXTOLYAYRNOGDI-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878746052 690490205 /nfs/dbraw/zinc/49/02/05/690490205.db2.gz QONSPSXPDHJRJD-IBGZPJMESA-N 2 1 322.412 2.199 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833225 690492378 /nfs/dbraw/zinc/49/23/78/690492378.db2.gz QBWPVRAHSQQCQN-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036833225 690492381 /nfs/dbraw/zinc/49/23/81/690492381.db2.gz QBWPVRAHSQQCQN-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153632 691033992 /nfs/dbraw/zinc/03/39/92/691033992.db2.gz DHSGQBACNLNOFT-ZWKOTPCHSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173209 691038901 /nfs/dbraw/zinc/03/89/01/691038901.db2.gz QFAFLNGYAJLQOL-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173209 691038904 /nfs/dbraw/zinc/03/89/04/691038904.db2.gz QFAFLNGYAJLQOL-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173209 691038908 /nfs/dbraw/zinc/03/89/08/691038908.db2.gz QFAFLNGYAJLQOL-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173038 691039466 /nfs/dbraw/zinc/03/94/66/691039466.db2.gz LOPGHZVZDMIQJP-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039216256 691057202 /nfs/dbraw/zinc/05/72/02/691057202.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216256 691057205 /nfs/dbraw/zinc/05/72/05/691057205.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216256 691057206 /nfs/dbraw/zinc/05/72/06/691057206.db2.gz ZATXDFKPFSPTJO-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913574 691297793 /nfs/dbraw/zinc/29/77/93/691297793.db2.gz AUSSJZCDUIPXMW-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475310 691381804 /nfs/dbraw/zinc/38/18/04/691381804.db2.gz KUHHSLJXASIKPC-GOSISDBHSA-N 2 1 310.401 2.058 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042154876 691524599 /nfs/dbraw/zinc/52/45/99/691524599.db2.gz AVWVFNBWUKCGCC-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001049370356 692858170 /nfs/dbraw/zinc/85/81/70/692858170.db2.gz UYKWBFRVRSPXIE-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049370356 692858176 /nfs/dbraw/zinc/85/81/76/692858176.db2.gz UYKWBFRVRSPXIE-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049370356 692858181 /nfs/dbraw/zinc/85/81/81/692858181.db2.gz UYKWBFRVRSPXIE-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675586 692962452 /nfs/dbraw/zinc/96/24/52/692962452.db2.gz IDTKUXGSQTUSPP-JKSUJKDBSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675586 692962455 /nfs/dbraw/zinc/96/24/55/692962455.db2.gz IDTKUXGSQTUSPP-JKSUJKDBSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846076 693020098 /nfs/dbraw/zinc/02/00/98/693020098.db2.gz FRSSGCMYYHCZAK-DLBZAZTESA-N 2 1 314.433 2.013 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846076 693020100 /nfs/dbraw/zinc/02/01/00/693020100.db2.gz FRSSGCMYYHCZAK-DLBZAZTESA-N 2 1 314.433 2.013 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096506 /nfs/dbraw/zinc/09/65/06/693096506.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096509 /nfs/dbraw/zinc/09/65/09/693096509.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062232 693096513 /nfs/dbraw/zinc/09/65/13/693096513.db2.gz KPNYCALVAFDZHZ-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050086260 693104513 /nfs/dbraw/zinc/10/45/13/693104513.db2.gz ZYANVFQZIGKQNQ-DOTOQJQBSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140652 693118451 /nfs/dbraw/zinc/11/84/51/693118451.db2.gz NXUMSFAMQYTCCK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140652 693118454 /nfs/dbraw/zinc/11/84/54/693118454.db2.gz NXUMSFAMQYTCCK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140652 693118456 /nfs/dbraw/zinc/11/84/56/693118456.db2.gz NXUMSFAMQYTCCK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523486 693200491 /nfs/dbraw/zinc/20/04/91/693200491.db2.gz FBXHWDHTQPUCMS-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536318 693202535 /nfs/dbraw/zinc/20/25/35/693202535.db2.gz KLNCIZKVGAKREE-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(C#N)c1 ZINC000925845895 693351855 /nfs/dbraw/zinc/35/18/55/693351855.db2.gz SDZGIOHVFSOBRX-INIZCTEOSA-N 2 1 300.450 2.284 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC001052459822 693540267 /nfs/dbraw/zinc/54/02/67/693540267.db2.gz SAAHDUZLWHZHPZ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001052459822 693540269 /nfs/dbraw/zinc/54/02/69/693540269.db2.gz SAAHDUZLWHZHPZ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC001052459822 693540271 /nfs/dbraw/zinc/54/02/71/693540271.db2.gz SAAHDUZLWHZHPZ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(C)C)CC1 ZINC001052459822 693540274 /nfs/dbraw/zinc/54/02/74/693540274.db2.gz SAAHDUZLWHZHPZ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515295 693554939 /nfs/dbraw/zinc/55/49/39/693554939.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515295 693554941 /nfs/dbraw/zinc/55/49/41/693554941.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515295 693554944 /nfs/dbraw/zinc/55/49/44/693554944.db2.gz CRGPGAFDAOLIPQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562044 693568415 /nfs/dbraw/zinc/56/84/15/693568415.db2.gz IFGJACWTYYNNCY-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001332741292 1149887490 /nfs/dbraw/zinc/88/74/90/1149887490.db2.gz VYRZZCHQKAMRIE-IAGOWNOFSA-N 2 1 307.482 2.051 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001332741292 1149887492 /nfs/dbraw/zinc/88/74/92/1149887492.db2.gz VYRZZCHQKAMRIE-IAGOWNOFSA-N 2 1 307.482 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001380837097 1152863082 /nfs/dbraw/zinc/86/30/82/1152863082.db2.gz DHNHKXYVBNEYDJ-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001382084187 1153351351 /nfs/dbraw/zinc/35/13/51/1153351351.db2.gz CCDOQHKGGIGWAR-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388832783 1155119777 /nfs/dbraw/zinc/11/97/77/1155119777.db2.gz KJURZHGFCZTZGN-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001388832783 1155119807 /nfs/dbraw/zinc/11/98/07/1155119807.db2.gz KJURZHGFCZTZGN-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001388832783 1155119825 /nfs/dbraw/zinc/11/98/25/1155119825.db2.gz KJURZHGFCZTZGN-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388832783 1155119844 /nfs/dbraw/zinc/11/98/44/1155119844.db2.gz KJURZHGFCZTZGN-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388832783 1155119880 /nfs/dbraw/zinc/11/98/80/1155119880.db2.gz KJURZHGFCZTZGN-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001374330562 1157815087 /nfs/dbraw/zinc/81/50/87/1157815087.db2.gz QIKICOSGNRIITL-HOCLYGCPSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568500991 1158399495 /nfs/dbraw/zinc/39/94/95/1158399495.db2.gz BUITUNJXKRXDBD-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001375956623 1159023301 /nfs/dbraw/zinc/02/33/01/1159023301.db2.gz JYVJFMJFCUDWCK-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001375956623 1159023311 /nfs/dbraw/zinc/02/33/11/1159023311.db2.gz JYVJFMJFCUDWCK-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001375956623 1159023319 /nfs/dbraw/zinc/02/33/19/1159023319.db2.gz JYVJFMJFCUDWCK-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001375956623 1159023328 /nfs/dbraw/zinc/02/33/28/1159023328.db2.gz JYVJFMJFCUDWCK-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001376950748 1159854311 /nfs/dbraw/zinc/85/43/11/1159854311.db2.gz ASXGBUYHDDAYKG-OAHLLOKOSA-N 2 1 324.856 2.162 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001397747614 1160440362 /nfs/dbraw/zinc/44/03/62/1160440362.db2.gz KQAMCLISNGAEOG-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001397747614 1160440369 /nfs/dbraw/zinc/44/03/69/1160440369.db2.gz KQAMCLISNGAEOG-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001398449359 1160894089 /nfs/dbraw/zinc/89/40/89/1160894089.db2.gz AMXFHMGJKUIPCY-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001398449359 1160894091 /nfs/dbraw/zinc/89/40/91/1160894091.db2.gz AMXFHMGJKUIPCY-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001398449359 1160894094 /nfs/dbraw/zinc/89/40/94/1160894094.db2.gz AMXFHMGJKUIPCY-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436498386 1179151374 /nfs/dbraw/zinc/15/13/74/1179151374.db2.gz JHIQFUHJVQMJIC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001438299386 1180329065 /nfs/dbraw/zinc/32/90/65/1180329065.db2.gz JRTAKSVWQYREQX-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001438443122 1180433919 /nfs/dbraw/zinc/43/39/19/1180433919.db2.gz HMPODEDNYDMFFR-HDJSIYSDSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001440503827 1181567072 /nfs/dbraw/zinc/56/70/72/1181567072.db2.gz MOURIKQIHTXEEA-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001440503827 1181567083 /nfs/dbraw/zinc/56/70/83/1181567083.db2.gz MOURIKQIHTXEEA-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001444880888 1183617269 /nfs/dbraw/zinc/61/72/69/1183617269.db2.gz AJBZHYCZAJVTPI-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001446579456 1184425418 /nfs/dbraw/zinc/42/54/18/1184425418.db2.gz HFCHBDRLECLYMX-INIZCTEOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001446960654 1184592081 /nfs/dbraw/zinc/59/20/81/1184592081.db2.gz YFTHYMGUESJNLA-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596284 1149816928 /nfs/dbraw/zinc/81/69/28/1149816928.db2.gz SXOOFMWEAYLCNH-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596284 1149816930 /nfs/dbraw/zinc/81/69/30/1149816930.db2.gz SXOOFMWEAYLCNH-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857326 790275693 /nfs/dbraw/zinc/27/56/93/790275693.db2.gz ULGAATQLWLBXEK-UHFFFAOYSA-N 2 1 310.401 2.287 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332206086 1149834809 /nfs/dbraw/zinc/83/48/09/1149834809.db2.gz MUFQDSHTHVRRBJ-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332206086 1149834812 /nfs/dbraw/zinc/83/48/12/1149834812.db2.gz MUFQDSHTHVRRBJ-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357751 782668739 /nfs/dbraw/zinc/66/87/39/782668739.db2.gz MRFJCUFZMRPXJN-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383152 783060407 /nfs/dbraw/zinc/06/04/07/783060407.db2.gz WVUVNMPSDQFJEA-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383152 783060410 /nfs/dbraw/zinc/06/04/10/783060410.db2.gz WVUVNMPSDQFJEA-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383152 783060413 /nfs/dbraw/zinc/06/04/13/783060413.db2.gz WVUVNMPSDQFJEA-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765642 783084056 /nfs/dbraw/zinc/08/40/56/783084056.db2.gz OARILQUFEDSDRU-PVAVHDDUSA-N 2 1 310.401 2.246 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459372 783126870 /nfs/dbraw/zinc/12/68/70/783126870.db2.gz UWRWPBJMEORMQS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP [NH3+]CCN1CC[NH+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001209976104 776805369 /nfs/dbraw/zinc/80/53/69/776805369.db2.gz DADTWZXETYZINP-UHFFFAOYSA-N 2 1 319.452 2.163 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471555 777123287 /nfs/dbraw/zinc/12/32/87/777123287.db2.gz JQMWFPHCKGWPQA-OAHLLOKOSA-N 2 1 306.454 2.457 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073458997 790667550 /nfs/dbraw/zinc/66/75/50/790667550.db2.gz FRDLWNQVTFIGTP-UHFFFAOYSA-N 2 1 313.445 2.082 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171117418 790680714 /nfs/dbraw/zinc/68/07/14/790680714.db2.gz AKRSVLWDANQUJJ-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572371 779358564 /nfs/dbraw/zinc/35/85/64/779358564.db2.gz NTWFAPXCRBIHBB-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396991 779738452 /nfs/dbraw/zinc/73/84/52/779738452.db2.gz UUFWWJJLQCZTRG-LMMKCTJWSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000985495801 779865555 /nfs/dbraw/zinc/86/55/55/779865555.db2.gz KNYPOJQVNRUCDV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000985495801 779865564 /nfs/dbraw/zinc/86/55/64/779865564.db2.gz KNYPOJQVNRUCDV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000985495801 779865570 /nfs/dbraw/zinc/86/55/70/779865570.db2.gz KNYPOJQVNRUCDV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000985518621 779885203 /nfs/dbraw/zinc/88/52/03/779885203.db2.gz SJDCORRFYJCTTH-UHFFFAOYSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088326643 779957710 /nfs/dbraw/zinc/95/77/10/779957710.db2.gz UKFFMYXQGKERMP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168137008 780210835 /nfs/dbraw/zinc/21/08/35/780210835.db2.gz KYHVGCSJDCTQLX-HOTGVXAUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617000 780624034 /nfs/dbraw/zinc/62/40/34/780624034.db2.gz UVTWBUWWVMJVGO-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617000 780624038 /nfs/dbraw/zinc/62/40/38/780624038.db2.gz UVTWBUWWVMJVGO-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617000 780624042 /nfs/dbraw/zinc/62/40/42/780624042.db2.gz UVTWBUWWVMJVGO-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335249 780851497 /nfs/dbraw/zinc/85/14/97/780851497.db2.gz DMUXUTNFNYYAML-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101036590 780958169 /nfs/dbraw/zinc/95/81/69/780958169.db2.gz UMAHSULSPGUCEM-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363627 781039822 /nfs/dbraw/zinc/03/98/22/781039822.db2.gz MZEUEBNUVIXJSP-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324696 781217675 /nfs/dbraw/zinc/21/76/75/781217675.db2.gz YIAFBHLQFDFPKV-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639426 783308422 /nfs/dbraw/zinc/30/84/22/783308422.db2.gz VYARCZIWPTXDAJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639426 783308432 /nfs/dbraw/zinc/30/84/32/783308432.db2.gz VYARCZIWPTXDAJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639426 783308443 /nfs/dbraw/zinc/30/84/43/783308443.db2.gz VYARCZIWPTXDAJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639426 783308455 /nfs/dbraw/zinc/30/84/55/783308455.db2.gz VYARCZIWPTXDAJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724512 783388440 /nfs/dbraw/zinc/38/84/40/783388440.db2.gz XVAMHUXFGWGEBN-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171195873 790938091 /nfs/dbraw/zinc/93/80/91/790938091.db2.gz VJEZYFGKQREGOU-ZTFGCOKTSA-N 2 1 313.445 2.460 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423653 783461517 /nfs/dbraw/zinc/46/15/17/783461517.db2.gz BOKAHLZEAPPFRY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423653 783461522 /nfs/dbraw/zinc/46/15/22/783461522.db2.gz BOKAHLZEAPPFRY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423653 783461527 /nfs/dbraw/zinc/46/15/27/783461527.db2.gz BOKAHLZEAPPFRY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085648845 783936441 /nfs/dbraw/zinc/93/64/41/783936441.db2.gz YILVJKMEWLNYQD-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001085648845 783936447 /nfs/dbraw/zinc/93/64/47/783936447.db2.gz YILVJKMEWLNYQD-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085648845 783936455 /nfs/dbraw/zinc/93/64/55/783936455.db2.gz YILVJKMEWLNYQD-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)(C)C ZINC001085648845 783936463 /nfs/dbraw/zinc/93/64/63/783936463.db2.gz YILVJKMEWLNYQD-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687425 783968124 /nfs/dbraw/zinc/96/81/24/783968124.db2.gz OSQJHSMGRBNRJY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687425 783968132 /nfs/dbraw/zinc/96/81/32/783968132.db2.gz OSQJHSMGRBNRJY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687425 783968139 /nfs/dbraw/zinc/96/81/39/783968139.db2.gz OSQJHSMGRBNRJY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687425 783968144 /nfs/dbraw/zinc/96/81/44/783968144.db2.gz OSQJHSMGRBNRJY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863769 784625115 /nfs/dbraw/zinc/62/51/15/784625115.db2.gz KPKHAMNJVCEXQB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863769 784625121 /nfs/dbraw/zinc/62/51/21/784625121.db2.gz KPKHAMNJVCEXQB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863769 784625131 /nfs/dbraw/zinc/62/51/31/784625131.db2.gz KPKHAMNJVCEXQB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969096674 784726202 /nfs/dbraw/zinc/72/62/02/784726202.db2.gz BOMKAUYMTWLXMF-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803375 785541969 /nfs/dbraw/zinc/54/19/69/785541969.db2.gz BXBVBYWLVQXZRP-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001091377161 791122171 /nfs/dbraw/zinc/12/21/71/791122171.db2.gz BXKCPUYGVGSTGI-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578734 786163473 /nfs/dbraw/zinc/16/34/73/786163473.db2.gz DMGSOPXKRMUUKZ-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001014429571 786581678 /nfs/dbraw/zinc/58/16/78/786581678.db2.gz YYJUCIHBBDPAAS-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113433240 786592240 /nfs/dbraw/zinc/59/22/40/786592240.db2.gz BDKFKOJMZYZCRT-INIZCTEOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015394845 787030834 /nfs/dbraw/zinc/03/08/34/787030834.db2.gz ZHGJNKCMSRTPTK-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114285443 787197787 /nfs/dbraw/zinc/19/77/87/787197787.db2.gz NIEPBEQPAOZONM-FVQHAEBGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096348483 787626816 /nfs/dbraw/zinc/62/68/16/787626816.db2.gz QJYZXWGBQPKARF-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001096348483 787626820 /nfs/dbraw/zinc/62/68/20/787626820.db2.gz QJYZXWGBQPKARF-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001096348483 787626824 /nfs/dbraw/zinc/62/68/24/787626824.db2.gz QJYZXWGBQPKARF-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204173 787973706 /nfs/dbraw/zinc/97/37/06/787973706.db2.gz UEJYEHULIHCQOA-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204173 787973711 /nfs/dbraw/zinc/97/37/11/787973711.db2.gz UEJYEHULIHCQOA-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365782 788042834 /nfs/dbraw/zinc/04/28/34/788042834.db2.gz PZGUEFSRNJQVPP-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365782 788042839 /nfs/dbraw/zinc/04/28/39/788042839.db2.gz PZGUEFSRNJQVPP-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365782 788042845 /nfs/dbraw/zinc/04/28/45/788042845.db2.gz PZGUEFSRNJQVPP-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937038 788231124 /nfs/dbraw/zinc/23/11/24/788231124.db2.gz FVKZDHJTQYXTGV-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345927 788375323 /nfs/dbraw/zinc/37/53/23/788375323.db2.gz IHABEUKTCLYWJQ-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001086734483 789353926 /nfs/dbraw/zinc/35/39/26/789353926.db2.gz JBRAOJHGGADEGX-RRFJBIMHSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678561 789444089 /nfs/dbraw/zinc/44/40/89/789444089.db2.gz GAXWYJMVDKIRLT-LSDHHAIUSA-N 2 1 306.454 2.421 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098135768 789671904 /nfs/dbraw/zinc/67/19/04/789671904.db2.gz KBFUYPPHJHPNIG-ZACQAIPSSA-N 2 1 305.466 2.014 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071628173 789825961 /nfs/dbraw/zinc/82/59/61/789825961.db2.gz NWZAALUJDZITPI-GOEBONIOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645464 789837676 /nfs/dbraw/zinc/83/76/76/789837676.db2.gz JPZPAJPNWBSJDG-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682172 789862836 /nfs/dbraw/zinc/86/28/36/789862836.db2.gz IDCWUONHLYEZCE-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682144 789863013 /nfs/dbraw/zinc/86/30/13/789863013.db2.gz HRWFKLRMLDANOB-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957315 789987323 /nfs/dbraw/zinc/98/73/23/789987323.db2.gz GVJBTTJKESMJLL-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001072813375 790256638 /nfs/dbraw/zinc/25/66/38/790256638.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072813375 790256643 /nfs/dbraw/zinc/25/66/43/790256643.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813375 790256647 /nfs/dbraw/zinc/25/66/47/790256647.db2.gz PEXDKKCGIZDWNK-QGZVFWFLSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307928 791559024 /nfs/dbraw/zinc/55/90/24/791559024.db2.gz NQPOKSKMNFUSFJ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307928 791559032 /nfs/dbraw/zinc/55/90/32/791559032.db2.gz NQPOKSKMNFUSFJ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827605 791803918 /nfs/dbraw/zinc/80/39/18/791803918.db2.gz HOAKIKBPMLFELE-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923076 /nfs/dbraw/zinc/92/30/76/791923076.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923079 /nfs/dbraw/zinc/92/30/79/791923079.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010904 791923084 /nfs/dbraw/zinc/92/30/84/791923084.db2.gz NRVRPJZJPXGTJM-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013194 791923405 /nfs/dbraw/zinc/92/34/05/791923405.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013194 791923409 /nfs/dbraw/zinc/92/34/09/791923409.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013194 791923413 /nfs/dbraw/zinc/92/34/13/791923413.db2.gz LNBVBLXMBSEOFK-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001099027523 792044676 /nfs/dbraw/zinc/04/46/76/792044676.db2.gz MYCISGCUYGALEP-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099027523 792044688 /nfs/dbraw/zinc/04/46/88/792044688.db2.gz MYCISGCUYGALEP-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099027523 792044697 /nfs/dbraw/zinc/04/46/97/792044697.db2.gz MYCISGCUYGALEP-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059531 792067194 /nfs/dbraw/zinc/06/71/94/792067194.db2.gz KXTFMEPGDNHUEK-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467540 792117925 /nfs/dbraw/zinc/11/79/25/792117925.db2.gz NMTMKEPICSEOCU-NCOADZHNSA-N 2 1 305.466 2.014 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099233637 792145674 /nfs/dbraw/zinc/14/56/74/792145674.db2.gz AHBPISLTLRRVNA-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233637 792145678 /nfs/dbraw/zinc/14/56/78/792145678.db2.gz AHBPISLTLRRVNA-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233637 792145684 /nfs/dbraw/zinc/14/56/84/792145684.db2.gz AHBPISLTLRRVNA-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099527855 792232530 /nfs/dbraw/zinc/23/25/30/792232530.db2.gz DNNPUBAHBAUBCV-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848477 792880988 /nfs/dbraw/zinc/88/09/88/792880988.db2.gz OPSQMVOEZLKIRV-DAWZGUTISA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161637 793054277 /nfs/dbraw/zinc/05/42/77/793054277.db2.gz NMTMKEPICSEOCU-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472023 793626412 /nfs/dbraw/zinc/62/64/12/793626412.db2.gz DFZAQHLDFBRLPY-BRWVUGGUSA-N 2 1 309.498 2.223 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102581085 793663597 /nfs/dbraw/zinc/66/35/97/793663597.db2.gz YUJLRWXRPUGDNP-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102581085 793663602 /nfs/dbraw/zinc/66/36/02/793663602.db2.gz YUJLRWXRPUGDNP-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599916 793668163 /nfs/dbraw/zinc/66/81/63/793668163.db2.gz DCOIUZBFDJROID-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP CC[N@H+]1CC[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001173356622 793695472 /nfs/dbraw/zinc/69/54/72/793695472.db2.gz GIERQHIRHOBEGL-SFHVURJKSA-N 2 1 312.461 2.229 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103150079 793958342 /nfs/dbraw/zinc/95/83/42/793958342.db2.gz WPEWAFHMMTWRDQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882807 794082985 /nfs/dbraw/zinc/08/29/85/794082985.db2.gz XNQVEIABMWPJEN-MSOLQXFVSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570796 794148433 /nfs/dbraw/zinc/14/84/33/794148433.db2.gz GKWMSGOYPPZAJU-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528695 794232260 /nfs/dbraw/zinc/23/22/60/794232260.db2.gz JHBZSZFZZLSUQY-MRXNPFEDSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999864 794341484 /nfs/dbraw/zinc/34/14/84/794341484.db2.gz NGKMNBGMFIHZTH-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350107 794610260 /nfs/dbraw/zinc/61/02/60/794610260.db2.gz HQMNBXJHPAKWHZ-SCTDSRPQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115014109 794652653 /nfs/dbraw/zinc/65/26/53/794652653.db2.gz ZLZGMOJUZAWKEJ-IMBTUZDBSA-N 2 1 319.493 2.119 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634490 794961366 /nfs/dbraw/zinc/96/13/66/794961366.db2.gz WXBDUQCUDSHIBE-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001178752145 794988269 /nfs/dbraw/zinc/98/82/69/794988269.db2.gz HWRDJTJYFUYYAR-HUUCEWRRSA-N 2 1 304.438 2.356 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178816082 795012928 /nfs/dbraw/zinc/01/29/28/795012928.db2.gz TVPBUBYEJZYJPD-IAGOWNOFSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585231 795146017 /nfs/dbraw/zinc/14/60/17/795146017.db2.gz DNPSWUJAUNTMFH-CQSZACIVSA-N 2 1 315.889 2.347 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719697 795163828 /nfs/dbraw/zinc/16/38/28/795163828.db2.gz OORXGGIMSRVADU-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141236 795411185 /nfs/dbraw/zinc/41/11/85/795411185.db2.gz VSOPNMAIDPXGJO-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440642 795461343 /nfs/dbraw/zinc/46/13/43/795461343.db2.gz QHSZUOBGJHISEJ-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369149 795661448 /nfs/dbraw/zinc/66/14/48/795661448.db2.gz NSRPJFMOSSJLIF-VUHPKUFZSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121768077 795684429 /nfs/dbraw/zinc/68/44/29/795684429.db2.gz YOLHOXQQWPIAMD-FIXVGMIGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623754 795714878 /nfs/dbraw/zinc/71/48/78/795714878.db2.gz VNQJGBIAALSROU-VQIMIIECSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCOc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001138346424 796200969 /nfs/dbraw/zinc/20/09/69/796200969.db2.gz DEITVVIHZXBLFR-IBGZPJMESA-N 2 1 314.429 2.235 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185447297 796270208 /nfs/dbraw/zinc/27/02/08/796270208.db2.gz RGOMWCIGDLFZCS-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034249 796481530 /nfs/dbraw/zinc/48/15/30/796481530.db2.gz BHSFELSPUKOUDG-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979183 796757800 /nfs/dbraw/zinc/75/78/00/796757800.db2.gz KJQGKOMRGURZLR-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189318180 796807590 /nfs/dbraw/zinc/80/75/90/796807590.db2.gz YJRSAEUJLCWLSF-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389237 796816428 /nfs/dbraw/zinc/81/64/28/796816428.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389237 796816432 /nfs/dbraw/zinc/81/64/32/796816432.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389237 796816436 /nfs/dbraw/zinc/81/64/36/796816436.db2.gz IWYUDRCEBVSOAA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246997 796967644 /nfs/dbraw/zinc/96/76/44/796967644.db2.gz JOSMXWXSFHDEIE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246997 796967648 /nfs/dbraw/zinc/96/76/48/796967648.db2.gz JOSMXWXSFHDEIE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246997 796967651 /nfs/dbraw/zinc/96/76/51/796967651.db2.gz JOSMXWXSFHDEIE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891156 797103436 /nfs/dbraw/zinc/10/34/36/797103436.db2.gz YPXQCOPJDJIXOJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061172 797130303 /nfs/dbraw/zinc/13/03/03/797130303.db2.gz ISRSMJVOLSBOSZ-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061176 797130665 /nfs/dbraw/zinc/13/06/65/797130665.db2.gz ISRSMJVOLSBOSZ-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001192427477 797381296 /nfs/dbraw/zinc/38/12/96/797381296.db2.gz XSKIFJPXPPPBFQ-ARFHVFGLSA-N 2 1 316.449 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153891190 797418355 /nfs/dbraw/zinc/41/83/55/797418355.db2.gz QJHLOAXLQYPBNW-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)(C)C ZINC001153891190 797418347 /nfs/dbraw/zinc/41/83/47/797418347.db2.gz QJHLOAXLQYPBNW-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001153891190 797418349 /nfs/dbraw/zinc/41/83/49/797418349.db2.gz QJHLOAXLQYPBNW-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)(C)C ZINC001153891190 797418352 /nfs/dbraw/zinc/41/83/52/797418352.db2.gz QJHLOAXLQYPBNW-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916920 797470395 /nfs/dbraw/zinc/47/03/95/797470395.db2.gz GTSGWJHLASMGHP-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917217 797471163 /nfs/dbraw/zinc/47/11/63/797471163.db2.gz LBBKTFNPDSDIBW-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389333 797557481 /nfs/dbraw/zinc/55/74/81/797557481.db2.gz BCZBEXKYLPHBSV-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389333 797557484 /nfs/dbraw/zinc/55/74/84/797557484.db2.gz BCZBEXKYLPHBSV-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389333 797557487 /nfs/dbraw/zinc/55/74/87/797557487.db2.gz BCZBEXKYLPHBSV-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875782 797631599 /nfs/dbraw/zinc/63/15/99/797631599.db2.gz FHFNEJHAFZCUDB-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875782 797631601 /nfs/dbraw/zinc/63/16/01/797631601.db2.gz FHFNEJHAFZCUDB-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027212 797665093 /nfs/dbraw/zinc/66/50/93/797665093.db2.gz PNXWTROZTPURBZ-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027212 797665097 /nfs/dbraw/zinc/66/50/97/797665097.db2.gz PNXWTROZTPURBZ-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273907 797696432 /nfs/dbraw/zinc/69/64/32/797696432.db2.gz BSZQTQBPECGPTQ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865607 797977399 /nfs/dbraw/zinc/97/73/99/797977399.db2.gz MVIMOYAUEYDRHT-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865607 797977405 /nfs/dbraw/zinc/97/74/05/797977405.db2.gz MVIMOYAUEYDRHT-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865607 797977412 /nfs/dbraw/zinc/97/74/12/797977412.db2.gz MVIMOYAUEYDRHT-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866034 797977565 /nfs/dbraw/zinc/97/75/65/797977565.db2.gz SLIWKMGREXOBBC-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953679 798130850 /nfs/dbraw/zinc/13/08/50/798130850.db2.gz VBKYAGBWHOZSJI-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197126187 798151143 /nfs/dbraw/zinc/15/11/43/798151143.db2.gz XNNSVWZCDRRNAX-HNNXBMFYSA-N 2 1 316.449 2.330 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244121 798303118 /nfs/dbraw/zinc/30/31/18/798303118.db2.gz RGKSMLZHXYVHLG-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364018 798322424 /nfs/dbraw/zinc/32/24/24/798322424.db2.gz KECPOYQTUUOKEF-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907854 798623689 /nfs/dbraw/zinc/62/36/89/798623689.db2.gz DPVOSEBOTAZKCG-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120846 798649725 /nfs/dbraw/zinc/64/97/25/798649725.db2.gz SGTFVAYRLPYTPA-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120846 798649731 /nfs/dbraw/zinc/64/97/31/798649731.db2.gz SGTFVAYRLPYTPA-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120846 798649734 /nfs/dbraw/zinc/64/97/34/798649734.db2.gz SGTFVAYRLPYTPA-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160126020 798650614 /nfs/dbraw/zinc/65/06/14/798650614.db2.gz RLLSQZGGMZXOKZ-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577743 798652189 /nfs/dbraw/zinc/65/21/89/798652189.db2.gz FSVSSFFNZLYLDI-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160478853 798694190 /nfs/dbraw/zinc/69/41/90/798694190.db2.gz BJUDBMJWBYQWBJ-QGZVFWFLSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161027970 798782405 /nfs/dbraw/zinc/78/24/05/798782405.db2.gz CGKYGGVEAKZQAC-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202170760 798835949 /nfs/dbraw/zinc/83/59/49/798835949.db2.gz HOIIXDKPRICWOS-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161650495 798902327 /nfs/dbraw/zinc/90/23/27/798902327.db2.gz FYPQTLBVFKQRPX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161650495 798902330 /nfs/dbraw/zinc/90/23/30/798902330.db2.gz FYPQTLBVFKQRPX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161650495 798902333 /nfs/dbraw/zinc/90/23/33/798902333.db2.gz FYPQTLBVFKQRPX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001114465863 799130483 /nfs/dbraw/zinc/13/04/83/799130483.db2.gz KVWVIPXRIFTMFY-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465863 799130487 /nfs/dbraw/zinc/13/04/87/799130487.db2.gz KVWVIPXRIFTMFY-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465863 799130490 /nfs/dbraw/zinc/13/04/90/799130490.db2.gz KVWVIPXRIFTMFY-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472998 799735725 /nfs/dbraw/zinc/73/57/25/799735725.db2.gz VUYLPKLFEJMDJJ-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165895353 799789035 /nfs/dbraw/zinc/78/90/35/799789035.db2.gz YKZNNPHRYGODMW-UHFFFAOYSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464983 800359571 /nfs/dbraw/zinc/35/95/71/800359571.db2.gz YYKJIGMMUDVXQT-GOSISDBHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469374 800361276 /nfs/dbraw/zinc/36/12/76/800361276.db2.gz AYXQONFFAWPLDH-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206621746 800567025 /nfs/dbraw/zinc/56/70/25/800567025.db2.gz FUEOEXJPOJUAME-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947903 800638587 /nfs/dbraw/zinc/63/85/87/800638587.db2.gz NZSDIXXSKKMHAS-IYBDPMFKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001208178420 800924449 /nfs/dbraw/zinc/92/44/49/800924449.db2.gz DKLDFRNNAPIIOI-QZTJIDSGSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001208178420 800924453 /nfs/dbraw/zinc/92/44/53/800924453.db2.gz DKLDFRNNAPIIOI-QZTJIDSGSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453573 800986825 /nfs/dbraw/zinc/98/68/25/800986825.db2.gz JYSZPMKYTZRXDW-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485652 800994075 /nfs/dbraw/zinc/99/40/75/800994075.db2.gz PAWYCNUHWVKCOR-HLLBOEOZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001229186657 801238769 /nfs/dbraw/zinc/23/87/69/801238769.db2.gz XMIFWLLCZJXZMM-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375395 801782806 /nfs/dbraw/zinc/78/28/06/801782806.db2.gz IJDZEHIENPFWCJ-HOTGVXAUSA-N 2 1 323.481 2.319 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375395 801782811 /nfs/dbraw/zinc/78/28/11/801782811.db2.gz IJDZEHIENPFWCJ-HOTGVXAUSA-N 2 1 323.481 2.319 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396979 801856011 /nfs/dbraw/zinc/85/60/11/801856011.db2.gz MMIICZSIUOWVDW-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402166674 801867597 /nfs/dbraw/zinc/86/75/97/801867597.db2.gz RZGQJHDZRCZLSV-LJQANCHMSA-N 2 1 309.413 2.443 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844872 802032412 /nfs/dbraw/zinc/03/24/12/802032412.db2.gz MOQDKJZMEQBITE-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850785 802034537 /nfs/dbraw/zinc/03/45/37/802034537.db2.gz RHGGVTVYXAAPIL-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265710 802337989 /nfs/dbraw/zinc/33/79/89/802337989.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265710 802337996 /nfs/dbraw/zinc/33/79/96/802337996.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265710 802337999 /nfs/dbraw/zinc/33/79/99/802337999.db2.gz KYYUBBWSWZHPPQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222613291 802716304 /nfs/dbraw/zinc/71/63/04/802716304.db2.gz VLIRGYLMDVNDTK-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505655 802796388 /nfs/dbraw/zinc/79/63/88/802796388.db2.gz LWDKXPUROUCQIE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505655 802796392 /nfs/dbraw/zinc/79/63/92/802796392.db2.gz LWDKXPUROUCQIE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001223505655 802796397 /nfs/dbraw/zinc/79/63/97/802796397.db2.gz LWDKXPUROUCQIE-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224856007 802910647 /nfs/dbraw/zinc/91/06/47/802910647.db2.gz XDTSCBXRUPRNAA-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328414000 1148789514 /nfs/dbraw/zinc/78/95/14/1148789514.db2.gz XLUSHRXRPLENDQ-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500162769 1058536920 /nfs/dbraw/zinc/53/69/20/1058536920.db2.gz RDPHZAGTNXVQCT-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001501891032 1059758669 /nfs/dbraw/zinc/75/86/69/1059758669.db2.gz MVVSNISTJYRRMJ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406725 1060117764 /nfs/dbraw/zinc/11/77/64/1060117764.db2.gz QZWJRKAVAYKAOT-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406725 1060117772 /nfs/dbraw/zinc/11/77/72/1060117772.db2.gz QZWJRKAVAYKAOT-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406725 1060117779 /nfs/dbraw/zinc/11/77/79/1060117779.db2.gz QZWJRKAVAYKAOT-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001566069505 1060471374 /nfs/dbraw/zinc/47/13/74/1060471374.db2.gz ZETLRNIFLKATJW-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505436639 1060595521 /nfs/dbraw/zinc/59/55/21/1060595521.db2.gz BBLVZQDLWXXQOQ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436639 1060595541 /nfs/dbraw/zinc/59/55/41/1060595541.db2.gz BBLVZQDLWXXQOQ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436639 1060595556 /nfs/dbraw/zinc/59/55/56/1060595556.db2.gz BBLVZQDLWXXQOQ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001479294758 1061371487 /nfs/dbraw/zinc/37/14/87/1061371487.db2.gz ICKBTNRHLGLZRC-HRCADAONSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506864747 1062449788 /nfs/dbraw/zinc/44/97/88/1062449788.db2.gz FWUMSSSUAAHXRL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001480211623 1062468148 /nfs/dbraw/zinc/46/81/48/1062468148.db2.gz UDSYBXHFNQNUNC-YYIAUSFCSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480255141 1062536376 /nfs/dbraw/zinc/53/63/76/1062536376.db2.gz QGTVEOFPDCPNRW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255141 1062536393 /nfs/dbraw/zinc/53/63/93/1062536393.db2.gz QGTVEOFPDCPNRW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255141 1062536416 /nfs/dbraw/zinc/53/64/16/1062536416.db2.gz QGTVEOFPDCPNRW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480267769 1062570958 /nfs/dbraw/zinc/57/09/58/1062570958.db2.gz REBKMJDCYQZLBZ-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480267771 1062571180 /nfs/dbraw/zinc/57/11/80/1062571180.db2.gz REBKMJDCYQZLBZ-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001507290532 1063041819 /nfs/dbraw/zinc/04/18/19/1063041819.db2.gz SFYLCFBDOKPQNS-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1C)C(C)(C)C ZINC001508032699 1063507471 /nfs/dbraw/zinc/50/74/71/1063507471.db2.gz QIGCJJUKLYZQHH-INIZCTEOSA-N 2 1 318.465 2.116 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494329002 1064214111 /nfs/dbraw/zinc/21/41/11/1064214111.db2.gz WOCHWKGUDDECOU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494329002 1064214119 /nfs/dbraw/zinc/21/41/19/1064214119.db2.gz WOCHWKGUDDECOU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494329002 1064214130 /nfs/dbraw/zinc/21/41/30/1064214130.db2.gz WOCHWKGUDDECOU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+](C)CC1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001567752785 1064403981 /nfs/dbraw/zinc/40/39/81/1064403981.db2.gz SLDZWYUCMQSOOQ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001494776153 1064460160 /nfs/dbraw/zinc/46/01/60/1064460160.db2.gz GOZXNTQIJNXVFG-QGZVFWFLSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001568057991 1064623345 /nfs/dbraw/zinc/62/33/45/1064623345.db2.gz ZKXOIFWRJDUTCS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001568110171 1064651474 /nfs/dbraw/zinc/65/14/74/1064651474.db2.gz PAXRSMSOZHHANR-WKILWMFISA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@H+](C)CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001568441149 1064875123 /nfs/dbraw/zinc/87/51/23/1064875123.db2.gz QZTFXPBSAJPYKQ-UHFFFAOYSA-N 2 1 318.465 2.410 20 30 DEEDMP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001496442826 1065473850 /nfs/dbraw/zinc/47/38/50/1065473850.db2.gz IBYJKXGDRWSTHQ-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001569455443 1065519022 /nfs/dbraw/zinc/51/90/22/1065519022.db2.gz LXHKMSKGWWVQNX-UHFFFAOYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001569455443 1065519038 /nfs/dbraw/zinc/51/90/38/1065519038.db2.gz LXHKMSKGWWVQNX-UHFFFAOYSA-N 2 1 316.449 2.081 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569723316 1065690964 /nfs/dbraw/zinc/69/09/64/1065690964.db2.gz UOYPDNKCDUBVHY-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802693 1065725568 /nfs/dbraw/zinc/72/55/68/1065725568.db2.gz YWSCEQMESOGBIP-SJLPKXTDSA-N 2 1 315.461 2.134 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570005674 1065877658 /nfs/dbraw/zinc/87/76/58/1065877658.db2.gz MJSAIPSICNNBBW-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001497331297 1066031460 /nfs/dbraw/zinc/03/14/60/1066031460.db2.gz LHPGKTUGYDNMTE-NVXWUHKLSA-N 2 1 303.450 2.350 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001570461378 1066083520 /nfs/dbraw/zinc/08/35/20/1066083520.db2.gz YHUALXDBIDTHBO-HNNXBMFYSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001634661428 1078435015 /nfs/dbraw/zinc/43/50/15/1078435015.db2.gz RKRPMHFCNVHPPZ-GOSISDBHSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC001499835051 1067354132 /nfs/dbraw/zinc/35/41/32/1067354132.db2.gz LOINPVQEVAFUIQ-HUUCEWRRSA-N 2 1 304.438 2.278 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001483406009 1078513281 /nfs/dbraw/zinc/51/32/81/1078513281.db2.gz PAGODQKUHZTIMX-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483406009 1078513284 /nfs/dbraw/zinc/51/32/84/1078513284.db2.gz PAGODQKUHZTIMX-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001483406009 1078513288 /nfs/dbraw/zinc/51/32/88/1078513288.db2.gz PAGODQKUHZTIMX-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066597 1067488099 /nfs/dbraw/zinc/48/80/99/1067488099.db2.gz OJNNJDAWXYNOGZ-NVXWUHKLSA-N 2 1 314.389 2.417 20 30 DEEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066597 1067488102 /nfs/dbraw/zinc/48/81/02/1067488102.db2.gz OJNNJDAWXYNOGZ-NVXWUHKLSA-N 2 1 314.389 2.417 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267169300 1078634248 /nfs/dbraw/zinc/63/42/48/1078634248.db2.gz MWOWUPOMXAKAAL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267169300 1078634257 /nfs/dbraw/zinc/63/42/57/1078634257.db2.gz MWOWUPOMXAKAAL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267169300 1078634261 /nfs/dbraw/zinc/63/42/61/1078634261.db2.gz MWOWUPOMXAKAAL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267174066 1078638336 /nfs/dbraw/zinc/63/83/36/1078638336.db2.gz VRUVRFJUNRTDPF-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181784 1078645194 /nfs/dbraw/zinc/64/51/94/1078645194.db2.gz NMWOVQMSJJEUIM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181784 1078645196 /nfs/dbraw/zinc/64/51/96/1078645196.db2.gz NMWOVQMSJJEUIM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267317795 1078760528 /nfs/dbraw/zinc/76/05/28/1078760528.db2.gz ANQGTEWMLLYOEN-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267317795 1078760534 /nfs/dbraw/zinc/76/05/34/1078760534.db2.gz ANQGTEWMLLYOEN-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267317795 1078760540 /nfs/dbraw/zinc/76/05/40/1078760540.db2.gz ANQGTEWMLLYOEN-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH3+])cc2)c1 ZINC001574766501 1069260227 /nfs/dbraw/zinc/26/02/27/1069260227.db2.gz QVYRYRICJFAJIH-UHFFFAOYSA-N 2 1 307.397 2.197 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C[NH3+])cc2)c1 ZINC001574766501 1069260238 /nfs/dbraw/zinc/26/02/38/1069260238.db2.gz QVYRYRICJFAJIH-UHFFFAOYSA-N 2 1 307.397 2.197 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001574767232 1069260395 /nfs/dbraw/zinc/26/03/95/1069260395.db2.gz ZKPDTYIJGHJXPF-ZNXRZULTSA-N 2 1 311.429 2.069 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001267602823 1079145635 /nfs/dbraw/zinc/14/56/35/1079145635.db2.gz HUPSBFOGLVTLFP-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483975521 1079221735 /nfs/dbraw/zinc/22/17/35/1079221735.db2.gz LVHLPRZGZGRHRP-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001484009497 1079240445 /nfs/dbraw/zinc/24/04/45/1079240445.db2.gz OJWOFHZGMPPPFT-KRWDZBQOSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001671238105 1074984449 /nfs/dbraw/zinc/98/44/49/1074984449.db2.gz KDVMHADPSXGTFP-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1ccnc1C ZINC001565830623 1075192670 /nfs/dbraw/zinc/19/26/70/1075192670.db2.gz XZPPVTDYSZABGN-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001565830623 1075192675 /nfs/dbraw/zinc/19/26/75/1075192675.db2.gz XZPPVTDYSZABGN-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001565830623 1075192677 /nfs/dbraw/zinc/19/26/77/1075192677.db2.gz XZPPVTDYSZABGN-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001565852560 1075197400 /nfs/dbraw/zinc/19/74/00/1075197400.db2.gz PITNEZDHNCZPQJ-XMTFNYHQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566497907 1075262600 /nfs/dbraw/zinc/26/26/00/1075262600.db2.gz LOOURXUTNMLFSS-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566497907 1075262602 /nfs/dbraw/zinc/26/26/02/1075262602.db2.gz LOOURXUTNMLFSS-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001566623006 1075299247 /nfs/dbraw/zinc/29/92/47/1075299247.db2.gz FMQLYIZYLOEFHK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001566623006 1075299250 /nfs/dbraw/zinc/29/92/50/1075299250.db2.gz FMQLYIZYLOEFHK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001566623006 1075299251 /nfs/dbraw/zinc/29/92/51/1075299251.db2.gz FMQLYIZYLOEFHK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001566715549 1075324660 /nfs/dbraw/zinc/32/46/60/1075324660.db2.gz ZECGGSOLGXURSI-KRWDZBQOSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566804368 1075349574 /nfs/dbraw/zinc/34/95/74/1075349574.db2.gz ZJZUWTSZBDUQSO-ZQIUZPCESA-N 2 1 311.445 2.012 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001484394083 1079588697 /nfs/dbraw/zinc/58/86/97/1079588697.db2.gz KNMQDBVFJJTZSW-BRSBDYLESA-N 2 1 321.509 2.415 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001481340286 1079734643 /nfs/dbraw/zinc/73/46/43/1079734643.db2.gz PQYTZVVCLBUDQY-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481405213 1079795213 /nfs/dbraw/zinc/79/52/13/1079795213.db2.gz BKAZIMBGKJYKGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481405213 1079795220 /nfs/dbraw/zinc/79/52/20/1079795220.db2.gz BKAZIMBGKJYKGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001481405213 1079795225 /nfs/dbraw/zinc/79/52/25/1079795225.db2.gz BKAZIMBGKJYKGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001481405213 1079795229 /nfs/dbraw/zinc/79/52/29/1079795229.db2.gz BKAZIMBGKJYKGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484876658 1079833292 /nfs/dbraw/zinc/83/32/92/1079833292.db2.gz OTRJLYFXMPTPQO-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001484982736 1079895706 /nfs/dbraw/zinc/89/57/06/1079895706.db2.gz TVNZQWLLKAJMHF-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]1C ZINC001484982736 1079895712 /nfs/dbraw/zinc/89/57/12/1079895712.db2.gz TVNZQWLLKAJMHF-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]1C ZINC001484982736 1079895719 /nfs/dbraw/zinc/89/57/19/1079895719.db2.gz TVNZQWLLKAJMHF-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCOCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001654520548 1079968159 /nfs/dbraw/zinc/96/81/59/1079968159.db2.gz KNQOUPYQRMENNI-PMACEKPBSA-N 2 1 312.457 2.480 20 30 DEEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001485434133 1080204948 /nfs/dbraw/zinc/20/49/48/1080204948.db2.gz JXXHHDKOCUOBAO-ZWKOTPCHSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001485458771 1080227583 /nfs/dbraw/zinc/22/75/83/1080227583.db2.gz PDRXZHQHHALIRM-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC001659346998 1080237999 /nfs/dbraw/zinc/23/79/99/1080237999.db2.gz OCAKXJRRLOHJHW-UHFFFAOYSA-N 2 1 301.434 2.348 20 30 DEEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001660277376 1080299833 /nfs/dbraw/zinc/29/98/33/1080299833.db2.gz GASIUMYGJZGZCQ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001660277376 1080299840 /nfs/dbraw/zinc/29/98/40/1080299840.db2.gz GASIUMYGJZGZCQ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001660277376 1080299847 /nfs/dbraw/zinc/29/98/47/1080299847.db2.gz GASIUMYGJZGZCQ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485582532 1080314115 /nfs/dbraw/zinc/31/41/15/1080314115.db2.gz QNTDTCUXWVCKNG-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582532 1080314118 /nfs/dbraw/zinc/31/41/18/1080314118.db2.gz QNTDTCUXWVCKNG-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582532 1080314122 /nfs/dbraw/zinc/31/41/22/1080314122.db2.gz QNTDTCUXWVCKNG-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001485658431 1080350113 /nfs/dbraw/zinc/35/01/13/1080350113.db2.gz VGSUCCZDRJIQAE-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001485658431 1080350117 /nfs/dbraw/zinc/35/01/17/1080350117.db2.gz VGSUCCZDRJIQAE-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001485658431 1080350118 /nfs/dbraw/zinc/35/01/18/1080350118.db2.gz VGSUCCZDRJIQAE-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001485723659 1080391838 /nfs/dbraw/zinc/39/18/38/1080391838.db2.gz GTVJFBKXQTUUAL-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001661127450 1080444926 /nfs/dbraw/zinc/44/49/26/1080444926.db2.gz NSFBTZLJMWYFID-AEFFLSMTSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235801 1080460340 /nfs/dbraw/zinc/46/03/40/1080460340.db2.gz PCTCFPALHMBUAH-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481880852 1080571622 /nfs/dbraw/zinc/57/16/22/1080571622.db2.gz HXAKIUAMUFVUOI-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662791501 1080656767 /nfs/dbraw/zinc/65/67/67/1080656767.db2.gz PTYWGYNYQKJAPC-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001663749611 1080812327 /nfs/dbraw/zinc/81/23/27/1080812327.db2.gz PUUIXYCCIIWCKN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001663749611 1080812338 /nfs/dbraw/zinc/81/23/38/1080812338.db2.gz PUUIXYCCIIWCKN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001663749611 1080812346 /nfs/dbraw/zinc/81/23/46/1080812346.db2.gz PUUIXYCCIIWCKN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001663777552 1080815578 /nfs/dbraw/zinc/81/55/78/1080815578.db2.gz OQPXXMVESDSGMD-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001664442680 1080910579 /nfs/dbraw/zinc/91/05/79/1080910579.db2.gz NUQNWCUABBLHHQ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001665304996 1081011965 /nfs/dbraw/zinc/01/19/65/1081011965.db2.gz CTWIJHXJVHDMOQ-UHFFFAOYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665632490 1081053447 /nfs/dbraw/zinc/05/34/47/1081053447.db2.gz WAYQGTQLWWIFTO-HUUCEWRRSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665632490 1081053455 /nfs/dbraw/zinc/05/34/55/1081053455.db2.gz WAYQGTQLWWIFTO-HUUCEWRRSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268978914 1081073221 /nfs/dbraw/zinc/07/32/21/1081073221.db2.gz OVDMXGVJWMGBMN-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268978914 1081073228 /nfs/dbraw/zinc/07/32/28/1081073228.db2.gz OVDMXGVJWMGBMN-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268978914 1081073232 /nfs/dbraw/zinc/07/32/32/1081073232.db2.gz OVDMXGVJWMGBMN-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001667279089 1081232604 /nfs/dbraw/zinc/23/26/04/1081232604.db2.gz KWEHMTFSCYFUJY-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001269416298 1081244934 /nfs/dbraw/zinc/24/49/34/1081244934.db2.gz ROYQCXTWRKRQGP-OAHLLOKOSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558111 1081290397 /nfs/dbraw/zinc/29/03/97/1081290397.db2.gz WOUPMFNMWKWWHD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001269597854 1081302626 /nfs/dbraw/zinc/30/26/26/1081302626.db2.gz PQFBCGHCVJCKLU-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001269597854 1081302630 /nfs/dbraw/zinc/30/26/30/1081302630.db2.gz PQFBCGHCVJCKLU-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001269597854 1081302637 /nfs/dbraw/zinc/30/26/37/1081302637.db2.gz PQFBCGHCVJCKLU-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269693823 1081337187 /nfs/dbraw/zinc/33/71/87/1081337187.db2.gz ZUPHYUXQZYUUPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269693823 1081337193 /nfs/dbraw/zinc/33/71/93/1081337193.db2.gz ZUPHYUXQZYUUPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269693823 1081337198 /nfs/dbraw/zinc/33/71/98/1081337198.db2.gz ZUPHYUXQZYUUPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001269991638 1081420333 /nfs/dbraw/zinc/42/03/33/1081420333.db2.gz QPBNFNBLEZYPEJ-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001669973880 1081485633 /nfs/dbraw/zinc/48/56/33/1081485633.db2.gz OASCKVFVYAGGMK-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517582 1081542036 /nfs/dbraw/zinc/54/20/36/1081542036.db2.gz RDTMUDKZUGDFHL-GOEBONIOSA-N 2 1 318.465 2.062 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538028 1081610333 /nfs/dbraw/zinc/61/03/33/1081610333.db2.gz MMCKEDWMMSUOIC-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001673129115 1081740974 /nfs/dbraw/zinc/74/09/74/1081740974.db2.gz IKPYNYMIGZHEOR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001482372811 1081769522 /nfs/dbraw/zinc/76/95/22/1081769522.db2.gz VWQODTZNZAYGRH-HNNXBMFYSA-N 2 1 323.868 2.307 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001482372811 1081769527 /nfs/dbraw/zinc/76/95/27/1081769527.db2.gz VWQODTZNZAYGRH-HNNXBMFYSA-N 2 1 323.868 2.307 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482469958 1081944140 /nfs/dbraw/zinc/94/41/40/1081944140.db2.gz FRYYZCVMTIMLNB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266465924 1082054547 /nfs/dbraw/zinc/05/45/47/1082054547.db2.gz FSJCTLGKWILQMR-QGZVFWFLSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001482506531 1082128360 /nfs/dbraw/zinc/12/83/60/1082128360.db2.gz CDJOPOOMVAMQSA-GOSISDBHSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266562756 1082161146 /nfs/dbraw/zinc/16/11/46/1082161146.db2.gz MVOVEMIEDAKESN-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266562756 1082161149 /nfs/dbraw/zinc/16/11/49/1082161149.db2.gz MVOVEMIEDAKESN-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266562756 1082161154 /nfs/dbraw/zinc/16/11/54/1082161154.db2.gz MVOVEMIEDAKESN-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC001271923388 1082194917 /nfs/dbraw/zinc/19/49/17/1082194917.db2.gz UTRKMHUHTGCBAS-QZTJIDSGSA-N 2 1 315.461 2.043 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001271953417 1082206250 /nfs/dbraw/zinc/20/62/50/1082206250.db2.gz DYZOVUBEHGXAPA-ROUUACIJSA-N 2 1 317.477 2.256 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001266662251 1082258121 /nfs/dbraw/zinc/25/81/21/1082258121.db2.gz DEKUVTIYBDAFSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662251 1082258127 /nfs/dbraw/zinc/25/81/27/1082258127.db2.gz DEKUVTIYBDAFSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662251 1082258132 /nfs/dbraw/zinc/25/81/32/1082258132.db2.gz DEKUVTIYBDAFSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001272053795 1082341148 /nfs/dbraw/zinc/34/11/48/1082341148.db2.gz OTWCVMSSHMTVAP-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053795 1082341155 /nfs/dbraw/zinc/34/11/55/1082341155.db2.gz OTWCVMSSHMTVAP-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053795 1082341159 /nfs/dbraw/zinc/34/11/59/1082341159.db2.gz OTWCVMSSHMTVAP-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001482669281 1082451884 /nfs/dbraw/zinc/45/18/84/1082451884.db2.gz YYAKGPDIIVCKKG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001482669281 1082451885 /nfs/dbraw/zinc/45/18/85/1082451885.db2.gz YYAKGPDIIVCKKG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001482669281 1082451886 /nfs/dbraw/zinc/45/18/86/1082451886.db2.gz YYAKGPDIIVCKKG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482681578 1082475640 /nfs/dbraw/zinc/47/56/40/1082475640.db2.gz JWTHMDTXFQTTOB-NVXWUHKLSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001482864266 1082535199 /nfs/dbraw/zinc/53/51/99/1082535199.db2.gz HZAJIOZKYULMAC-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001496862287 1083053703 /nfs/dbraw/zinc/05/37/03/1083053703.db2.gz IWPVJWOHCWAXQI-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001496862287 1083053706 /nfs/dbraw/zinc/05/37/06/1083053706.db2.gz IWPVJWOHCWAXQI-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001496862287 1083053710 /nfs/dbraw/zinc/05/37/10/1083053710.db2.gz IWPVJWOHCWAXQI-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530868 1083464144 /nfs/dbraw/zinc/46/41/44/1083464144.db2.gz QCARHLVBLQHWLH-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614014 1083519764 /nfs/dbraw/zinc/51/97/64/1083519764.db2.gz KXOXXDSATXCEKD-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107629389 1083538065 /nfs/dbraw/zinc/53/80/65/1083538065.db2.gz CXJDWKQJKCWPTI-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107629389 1083538074 /nfs/dbraw/zinc/53/80/74/1083538074.db2.gz CXJDWKQJKCWPTI-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107629389 1083538084 /nfs/dbraw/zinc/53/80/84/1083538084.db2.gz CXJDWKQJKCWPTI-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001277092758 1083771185 /nfs/dbraw/zinc/77/11/85/1083771185.db2.gz MNYDFCIWGYXZGK-KBAYOESNSA-N 2 1 315.461 2.350 20 30 DEEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001670974354 1084178686 /nfs/dbraw/zinc/17/86/86/1084178686.db2.gz RTVLXDNEYIOJDS-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001670974354 1084178688 /nfs/dbraw/zinc/17/86/88/1084178688.db2.gz RTVLXDNEYIOJDS-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001670974354 1084178691 /nfs/dbraw/zinc/17/86/91/1084178691.db2.gz RTVLXDNEYIOJDS-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302830 1084223122 /nfs/dbraw/zinc/22/31/22/1084223122.db2.gz ZDWDOZKUOQVPHL-GDBMZVCRSA-N 2 1 318.465 2.444 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001671044052 1084228525 /nfs/dbraw/zinc/22/85/25/1084228525.db2.gz AMUQSBMDTCLUAY-GOSISDBHSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321379 1084385212 /nfs/dbraw/zinc/38/52/12/1084385212.db2.gz UTWJVNDNMCTRQJ-CVEARBPZSA-N 2 1 307.482 2.358 20 30 DEEDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccccc1CC#N ZINC001235517545 1084454324 /nfs/dbraw/zinc/45/43/24/1084454324.db2.gz LDQSBUVKROEQEZ-UHFFFAOYSA-N 2 1 317.433 2.069 20 30 DEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1CC#N ZINC001235517545 1084454327 /nfs/dbraw/zinc/45/43/27/1084454327.db2.gz LDQSBUVKROEQEZ-UHFFFAOYSA-N 2 1 317.433 2.069 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001486146247 1085090547 /nfs/dbraw/zinc/09/05/47/1085090547.db2.gz MKQNYRVMWQLEQO-LZLYRXPVSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001486175775 1085106966 /nfs/dbraw/zinc/10/69/66/1085106966.db2.gz FUDJFIKCLSYRHO-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001486175775 1085106969 /nfs/dbraw/zinc/10/69/69/1085106969.db2.gz FUDJFIKCLSYRHO-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001486175775 1085106972 /nfs/dbraw/zinc/10/69/72/1085106972.db2.gz FUDJFIKCLSYRHO-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001486175775 1085106973 /nfs/dbraw/zinc/10/69/73/1085106973.db2.gz FUDJFIKCLSYRHO-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000960289132 1085183834 /nfs/dbraw/zinc/18/38/34/1085183834.db2.gz USFSKMKFTURQJI-IEBWSBKVSA-N 2 1 324.428 2.139 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000965037408 1085505164 /nfs/dbraw/zinc/50/51/64/1085505164.db2.gz WXZMXFODTPVGLX-UHFFFAOYSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000965061230 1085511186 /nfs/dbraw/zinc/51/11/86/1085511186.db2.gz AUTADTYDEZGPHQ-XOGYLQAWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286524 1085671839 /nfs/dbraw/zinc/67/18/39/1085671839.db2.gz RTJBIXRNIYIYAJ-ROUUACIJSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000963385861 1086438575 /nfs/dbraw/zinc/43/85/75/1086438575.db2.gz NPSGYKPLQDVGKU-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(C)C)CC1 ZINC000963471825 1086468021 /nfs/dbraw/zinc/46/80/21/1086468021.db2.gz OXGFFJAVVCSPGR-ABHNRTSZSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(C)C)CC1 ZINC000963471825 1086468026 /nfs/dbraw/zinc/46/80/26/1086468026.db2.gz OXGFFJAVVCSPGR-ABHNRTSZSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273143322 1086670648 /nfs/dbraw/zinc/67/06/48/1086670648.db2.gz FEALJMZKHRMYKT-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001080456122 1088969877 /nfs/dbraw/zinc/96/98/77/1088969877.db2.gz OUHAXRQUOBXFSE-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001080456122 1088969895 /nfs/dbraw/zinc/96/98/95/1088969895.db2.gz OUHAXRQUOBXFSE-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080456122 1088969918 /nfs/dbraw/zinc/96/99/18/1088969918.db2.gz OUHAXRQUOBXFSE-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624132 1089402622 /nfs/dbraw/zinc/40/26/22/1089402622.db2.gz LUXVQLWULBOWRZ-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624132 1089402630 /nfs/dbraw/zinc/40/26/30/1089402630.db2.gz LUXVQLWULBOWRZ-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624132 1089402642 /nfs/dbraw/zinc/40/26/42/1089402642.db2.gz LUXVQLWULBOWRZ-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356069 1090275296 /nfs/dbraw/zinc/27/52/96/1090275296.db2.gz YAIPGANAKGZEQS-BZUAXINKSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356069 1090275299 /nfs/dbraw/zinc/27/52/99/1090275299.db2.gz YAIPGANAKGZEQS-BZUAXINKSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962345 1090547367 /nfs/dbraw/zinc/54/73/67/1090547367.db2.gz IDQBYVBWVQIBCQ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962345 1090547370 /nfs/dbraw/zinc/54/73/70/1090547370.db2.gz IDQBYVBWVQIBCQ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962345 1090547373 /nfs/dbraw/zinc/54/73/73/1090547373.db2.gz IDQBYVBWVQIBCQ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001274344982 1091196059 /nfs/dbraw/zinc/19/60/59/1091196059.db2.gz KKPNFCCSGYDEMI-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001274430118 1091238802 /nfs/dbraw/zinc/23/88/02/1091238802.db2.gz KJVTVTZTMZVXGR-DJAVDHGHSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001273419533 1091324420 /nfs/dbraw/zinc/32/44/20/1091324420.db2.gz WOGVISATFWDONA-HOTGVXAUSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001274959505 1091493631 /nfs/dbraw/zinc/49/36/31/1091493631.db2.gz YJVPHMQLLCGVIL-BZSNNMDCSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCCCC[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001274974260 1091496731 /nfs/dbraw/zinc/49/67/31/1091496731.db2.gz FRSRYZATBVNRRT-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCC[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497178 /nfs/dbraw/zinc/49/71/78/1091497178.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCC[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497181 /nfs/dbraw/zinc/49/71/81/1091497181.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCC[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274974788 1091497185 /nfs/dbraw/zinc/49/71/85/1091497185.db2.gz RFPAATRKJKKDHO-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001275185237 1091605359 /nfs/dbraw/zinc/60/53/59/1091605359.db2.gz WKGANIQRUGFMJA-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001093164137 1091795455 /nfs/dbraw/zinc/79/54/55/1091795455.db2.gz ROYVMJZQLWUOST-LMMKCTJWSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C)C1 ZINC001093164137 1091795462 /nfs/dbraw/zinc/79/54/62/1091795462.db2.gz ROYVMJZQLWUOST-LMMKCTJWSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC001093164137 1091795470 /nfs/dbraw/zinc/79/54/70/1091795470.db2.gz ROYVMJZQLWUOST-LMMKCTJWSA-N 2 1 319.493 2.123 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475817 1091869102 /nfs/dbraw/zinc/86/91/02/1091869102.db2.gz UAZPDXXMNADLQO-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742435 1091910414 /nfs/dbraw/zinc/91/04/14/1091910414.db2.gz JMZWACFVQGDAGU-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001273802304 1092062074 /nfs/dbraw/zinc/06/20/74/1092062074.db2.gz UONNRKWBEDHUGG-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001490242448 1093256424 /nfs/dbraw/zinc/25/64/24/1093256424.db2.gz MIVRUPXEFMBZCK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001490242448 1093256431 /nfs/dbraw/zinc/25/64/31/1093256431.db2.gz MIVRUPXEFMBZCK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455363 1093391963 /nfs/dbraw/zinc/39/19/63/1093391963.db2.gz YJVKQIDNHCYUDH-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277997151 1138393744 /nfs/dbraw/zinc/39/37/44/1138393744.db2.gz ISCBXUJPSKMHRJ-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP N#Cc1ccccc1OC1C[NH+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001237178243 1138517054 /nfs/dbraw/zinc/51/70/54/1138517054.db2.gz DFRPUMZGEORCHX-UHFFFAOYSA-N 2 1 311.429 2.401 20 30 DEEDMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237472968 1138648158 /nfs/dbraw/zinc/64/81/58/1138648158.db2.gz XLYXTHDUYJVUQQ-IYBDPMFKSA-N 2 1 308.429 2.433 20 30 DEEDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237472968 1138648161 /nfs/dbraw/zinc/64/81/61/1138648161.db2.gz XLYXTHDUYJVUQQ-IYBDPMFKSA-N 2 1 308.429 2.433 20 30 DEEDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237472968 1138648164 /nfs/dbraw/zinc/64/81/64/1138648164.db2.gz XLYXTHDUYJVUQQ-IYBDPMFKSA-N 2 1 308.429 2.433 20 30 DEEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237472968 1138648167 /nfs/dbraw/zinc/64/81/67/1138648167.db2.gz XLYXTHDUYJVUQQ-IYBDPMFKSA-N 2 1 308.429 2.433 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001319020511 1140492026 /nfs/dbraw/zinc/49/20/26/1140492026.db2.gz FHMXLCBBBGGAFS-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438815 1140878265 /nfs/dbraw/zinc/87/82/65/1140878265.db2.gz XRAXVTPZBYTNII-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP N#Cc1ccc(C2CCC(N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246626984 1141011475 /nfs/dbraw/zinc/01/14/75/1141011475.db2.gz ULGFDWXKQHYZJY-SOAGJPPSSA-N 2 1 324.472 2.222 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246724001 1141045387 /nfs/dbraw/zinc/04/53/87/1141045387.db2.gz SVQGRYIISBQRIB-YZYRWKSTSA-N 2 1 320.477 2.343 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772278 1141054978 /nfs/dbraw/zinc/05/49/78/1141054978.db2.gz ZYIANWFSNXNCFU-XWTMOSNGSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772278 1141054986 /nfs/dbraw/zinc/05/49/86/1141054986.db2.gz ZYIANWFSNXNCFU-XWTMOSNGSA-N 2 1 308.466 2.201 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001322193908 1141447528 /nfs/dbraw/zinc/44/75/28/1141447528.db2.gz OFFGWQQNKDBDPX-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001322193908 1141447560 /nfs/dbraw/zinc/44/75/60/1141447560.db2.gz OFFGWQQNKDBDPX-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001322193908 1141447606 /nfs/dbraw/zinc/44/76/06/1141447606.db2.gz OFFGWQQNKDBDPX-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322347449 1141536333 /nfs/dbraw/zinc/53/63/33/1141536333.db2.gz SRLSXKXQMXDYGX-SJORKVTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001324097490 1142006552 /nfs/dbraw/zinc/00/65/52/1142006552.db2.gz JZTIMNXASRRETC-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324286665 1142048469 /nfs/dbraw/zinc/04/84/69/1142048469.db2.gz RPAPELFLPQBGAD-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278613960 1142347648 /nfs/dbraw/zinc/34/76/48/1142347648.db2.gz QIISDHQTDZCMRE-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205772 1143835563 /nfs/dbraw/zinc/83/55/63/1143835563.db2.gz YUVNXHJTDJKIDP-ROUUACIJSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205772 1143835565 /nfs/dbraw/zinc/83/55/65/1143835565.db2.gz YUVNXHJTDJKIDP-ROUUACIJSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCN(C)CC1)CCO2 ZINC001256208051 1143836394 /nfs/dbraw/zinc/83/63/94/1143836394.db2.gz VKSJGTCWHIPSKM-FUHWJXTLSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170022 1144359431 /nfs/dbraw/zinc/35/94/31/1144359431.db2.gz FPMLOXZPCWWMLV-ROUUACIJSA-N 2 1 315.461 2.308 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001264427514 1144537446 /nfs/dbraw/zinc/53/74/46/1144537446.db2.gz VMXDKNCYHJASTR-FVQBIDKESA-N 2 1 304.438 2.031 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264682128 1144592044 /nfs/dbraw/zinc/59/20/44/1144592044.db2.gz QNWUVMIFKGNHTM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265390807 1144701384 /nfs/dbraw/zinc/70/13/84/1144701384.db2.gz OBBONSHDBHECMF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390807 1144701388 /nfs/dbraw/zinc/70/13/88/1144701388.db2.gz OBBONSHDBHECMF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390807 1144701390 /nfs/dbraw/zinc/70/13/90/1144701390.db2.gz OBBONSHDBHECMF-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526384 1144709154 /nfs/dbraw/zinc/70/91/54/1144709154.db2.gz ZNQZZEIGRCYCGS-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001265658253 1144723581 /nfs/dbraw/zinc/72/35/81/1144723581.db2.gz VDSQAPGMMJWDKG-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001265786415 1144741178 /nfs/dbraw/zinc/74/11/78/1144741178.db2.gz NADYZKFPJGHDFH-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001265786415 1144741181 /nfs/dbraw/zinc/74/11/81/1144741181.db2.gz NADYZKFPJGHDFH-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265982161 1144776461 /nfs/dbraw/zinc/77/64/61/1144776461.db2.gz CTTRHVXPQGNUNM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001279242724 1144819699 /nfs/dbraw/zinc/81/96/99/1144819699.db2.gz WIARNYRGWLHTJP-AQFXKWCLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001279636081 1144826374 /nfs/dbraw/zinc/82/63/74/1144826374.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001279636081 1144826375 /nfs/dbraw/zinc/82/63/75/1144826375.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001279636081 1144826376 /nfs/dbraw/zinc/82/63/76/1144826376.db2.gz HJIGVERFXQJFAB-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001280129330 1144832462 /nfs/dbraw/zinc/83/24/62/1144832462.db2.gz VSXIXUUGPFIYFU-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568732 1144897884 /nfs/dbraw/zinc/89/78/84/1144897884.db2.gz XTZZHRJQEHPCFB-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281951050 1144922779 /nfs/dbraw/zinc/92/27/79/1144922779.db2.gz DETASDXIMHKFQI-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001281951050 1144922782 /nfs/dbraw/zinc/92/27/82/1144922782.db2.gz DETASDXIMHKFQI-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001281951050 1144922783 /nfs/dbraw/zinc/92/27/83/1144922783.db2.gz DETASDXIMHKFQI-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCCC)C1 ZINC001282718005 1145142664 /nfs/dbraw/zinc/14/26/64/1145142664.db2.gz WEINNQMQVQBVTI-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCCC)C1 ZINC001282718005 1145142679 /nfs/dbraw/zinc/14/26/79/1145142679.db2.gz WEINNQMQVQBVTI-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283101136 1145266441 /nfs/dbraw/zinc/26/64/41/1145266441.db2.gz DKLMUPRFWOTUMA-YYIAUSFCSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001283666284 1145571549 /nfs/dbraw/zinc/57/15/49/1145571549.db2.gz QFUSCIRFBUGPOC-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H]1C ZINC001284130209 1145804523 /nfs/dbraw/zinc/80/45/23/1145804523.db2.gz GUCRGMQPMLTMDS-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H]1C ZINC001284130209 1145804528 /nfs/dbraw/zinc/80/45/28/1145804528.db2.gz GUCRGMQPMLTMDS-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H]1C ZINC001284130209 1145804530 /nfs/dbraw/zinc/80/45/30/1145804530.db2.gz GUCRGMQPMLTMDS-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001365272254 1145834262 /nfs/dbraw/zinc/83/42/62/1145834262.db2.gz VSTAGTTXAUORIR-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001365272254 1145834263 /nfs/dbraw/zinc/83/42/63/1145834263.db2.gz VSTAGTTXAUORIR-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP C#CCC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001284545218 1145869528 /nfs/dbraw/zinc/86/95/28/1145869528.db2.gz RZNZOSOFLTUHOU-UHFFFAOYSA-N 2 1 318.465 2.199 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001284545218 1145869529 /nfs/dbraw/zinc/86/95/29/1145869529.db2.gz RZNZOSOFLTUHOU-UHFFFAOYSA-N 2 1 318.465 2.199 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001491933849 1147006514 /nfs/dbraw/zinc/00/65/14/1147006514.db2.gz RYHSPLKVFRWVBP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491933849 1147006520 /nfs/dbraw/zinc/00/65/20/1147006520.db2.gz RYHSPLKVFRWVBP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491933849 1147006526 /nfs/dbraw/zinc/00/65/26/1147006526.db2.gz RYHSPLKVFRWVBP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001492170495 1147113608 /nfs/dbraw/zinc/11/36/08/1147113608.db2.gz FTVQVHJUEZLYJK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480732032 1147168205 /nfs/dbraw/zinc/16/82/05/1147168205.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480732032 1147168214 /nfs/dbraw/zinc/16/82/14/1147168214.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480732032 1147168222 /nfs/dbraw/zinc/16/82/22/1147168222.db2.gz ZUXQHFJFIQEZOT-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316680195 1147300499 /nfs/dbraw/zinc/30/04/99/1147300499.db2.gz PTDXXNFXQNODTJ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCCCCC ZINC001317049837 1147653223 /nfs/dbraw/zinc/65/32/23/1147653223.db2.gz MLSJJVPFXKXDHZ-HDICACEKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001317049837 1147653226 /nfs/dbraw/zinc/65/32/26/1147653226.db2.gz MLSJJVPFXKXDHZ-HDICACEKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001317049837 1147653227 /nfs/dbraw/zinc/65/32/27/1147653227.db2.gz MLSJJVPFXKXDHZ-HDICACEKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001317049837 1147653229 /nfs/dbraw/zinc/65/32/29/1147653229.db2.gz MLSJJVPFXKXDHZ-HDICACEKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001317186094 1147672973 /nfs/dbraw/zinc/67/29/73/1147672973.db2.gz HMFUZIANPZZJBA-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501854 1147716554 /nfs/dbraw/zinc/71/65/54/1147716554.db2.gz MHCVNLCDBNWMFZ-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317791160 1147752903 /nfs/dbraw/zinc/75/29/03/1147752903.db2.gz ZYGKJXWQRPNOCY-JKSUJKDBSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317791160 1147752905 /nfs/dbraw/zinc/75/29/05/1147752905.db2.gz ZYGKJXWQRPNOCY-JKSUJKDBSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001317869422 1147759478 /nfs/dbraw/zinc/75/94/78/1147759478.db2.gz CAHUZDMRXBDKHX-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001317869422 1147759480 /nfs/dbraw/zinc/75/94/80/1147759480.db2.gz CAHUZDMRXBDKHX-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001317869422 1147759481 /nfs/dbraw/zinc/75/94/81/1147759481.db2.gz CAHUZDMRXBDKHX-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827108 1147850160 /nfs/dbraw/zinc/85/01/60/1147850160.db2.gz USKXJIPMCRKTNQ-QAPCUYQASA-N 2 1 318.465 2.374 20 30 DEEDMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCC1 ZINC001326584227 1148151218 /nfs/dbraw/zinc/15/12/18/1148151218.db2.gz MTVYBLNOAGMEFE-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001368099016 1148223551 /nfs/dbraw/zinc/22/35/51/1148223551.db2.gz JLWMBIIYWZPOPG-LSDHHAIUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001368194444 1148318034 /nfs/dbraw/zinc/31/80/34/1148318034.db2.gz HUQUDYGQEOOLGI-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173953109 198272248 /nfs/dbraw/zinc/27/22/48/198272248.db2.gz NYIYJZXMCUZZFF-IRXDYDNUSA-N 2 1 307.482 2.382 20 30 DEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033658 213252055 /nfs/dbraw/zinc/25/20/55/213252055.db2.gz BGRYZCHGGKBUAR-MRXNPFEDSA-N 2 1 314.433 2.303 20 30 DEEDMP CC[NH+](CC)CCOC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000075007876 355063730 /nfs/dbraw/zinc/06/37/30/355063730.db2.gz UUBHHLMTYQOPNS-INIZCTEOSA-N 2 1 306.454 2.253 20 30 DEEDMP N#CC[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620390 358504214 /nfs/dbraw/zinc/50/42/14/358504214.db2.gz NBECQWXKIXTPJG-HDICACEKSA-N 2 1 318.465 2.254 20 30 DEEDMP N#CC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620390 358504217 /nfs/dbraw/zinc/50/42/17/358504217.db2.gz NBECQWXKIXTPJG-HDICACEKSA-N 2 1 318.465 2.254 20 30 DEEDMP N#CC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620390 358504219 /nfs/dbraw/zinc/50/42/19/358504219.db2.gz NBECQWXKIXTPJG-HDICACEKSA-N 2 1 318.465 2.254 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000591767148 357758712 /nfs/dbraw/zinc/75/87/12/357758712.db2.gz KNTPKNSZOOYIHK-KRWDZBQOSA-N 2 1 303.450 2.399 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000591767148 357758718 /nfs/dbraw/zinc/75/87/18/357758718.db2.gz KNTPKNSZOOYIHK-KRWDZBQOSA-N 2 1 303.450 2.399 20 30 DEEDMP C=C(C)COc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000678343566 541716219 /nfs/dbraw/zinc/71/62/19/541716219.db2.gz VOWYQCFLQPKPMO-HZPDHXFCSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000117881729 401886371 /nfs/dbraw/zinc/88/63/71/401886371.db2.gz MAAKLERWCLKSJV-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402922 402628857 /nfs/dbraw/zinc/62/88/57/402628857.db2.gz VOBSICUXFPAQJU-APWZRJJASA-N 2 1 312.461 2.331 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247873257 402577543 /nfs/dbraw/zinc/57/75/43/402577543.db2.gz XZQBENAMJQMORU-OWCLPIDISA-N 2 1 307.482 2.404 20 30 DEEDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271937691 402885733 /nfs/dbraw/zinc/88/57/33/402885733.db2.gz KNKLIHYKAOWQMM-OAHLLOKOSA-N 2 1 318.440 2.376 20 30 DEEDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000282242047 403135533 /nfs/dbraw/zinc/13/55/33/403135533.db2.gz JCVGRLSBYZOBSV-AWEZNQCLSA-N 2 1 318.440 2.374 20 30 DEEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3(C#N)CC3)CC2)CC1 ZINC000343317688 403537111 /nfs/dbraw/zinc/53/71/11/403537111.db2.gz FEODLQVVVACGGK-UHFFFAOYSA-N 2 1 318.509 2.418 20 30 DEEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000361804671 403874803 /nfs/dbraw/zinc/87/48/03/403874803.db2.gz SZYPGUBMXPQPOA-KRWDZBQOSA-N 2 1 302.466 2.378 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363661084 404215303 /nfs/dbraw/zinc/21/53/03/404215303.db2.gz PFVBHTREBMNGRG-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C2 ZINC000329496136 404356242 /nfs/dbraw/zinc/35/62/42/404356242.db2.gz FWPKKGUENMBVJB-DUVNUKRYSA-N 2 1 304.438 2.439 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C2 ZINC000329496136 404356248 /nfs/dbraw/zinc/35/62/48/404356248.db2.gz FWPKKGUENMBVJB-DUVNUKRYSA-N 2 1 304.438 2.439 20 30 DEEDMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000329529771 404366286 /nfs/dbraw/zinc/36/62/86/404366286.db2.gz VHXUSEOUGPGSMI-ZDUSSCGKSA-N 2 1 322.497 2.450 20 30 DEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000374175782 404700234 /nfs/dbraw/zinc/70/02/34/404700234.db2.gz RMZACXWQSRMIRO-SFHVURJKSA-N 2 1 313.445 2.399 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000357109864 404728022 /nfs/dbraw/zinc/72/80/22/404728022.db2.gz XYCGQKQBSBCGNW-JKSUJKDBSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000357109864 404728025 /nfs/dbraw/zinc/72/80/25/404728025.db2.gz XYCGQKQBSBCGNW-JKSUJKDBSA-N 2 1 302.418 2.171 20 30 DEEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCCC#N)CC2)C[C@H](C)O1 ZINC000358874141 404777941 /nfs/dbraw/zinc/77/79/41/404777941.db2.gz QGWCYXWHISPSEU-IRXDYDNUSA-N 2 1 323.481 2.270 20 30 DEEDMP CN(C)C(=[NH+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000366821881 404852618 /nfs/dbraw/zinc/85/26/18/404852618.db2.gz PXLTXGHJDSBDGQ-SFHVURJKSA-N 2 1 302.466 2.378 20 30 DEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226919 404982353 /nfs/dbraw/zinc/98/23/53/404982353.db2.gz DFQCPNHLSDAQFU-IEBWSBKVSA-N 2 1 323.525 2.363 20 30 DEEDMP CC[NH2+]CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000516173554 406087598 /nfs/dbraw/zinc/08/75/98/406087598.db2.gz BBINZIJLVRPWDK-UHFFFAOYSA-N 2 1 300.450 2.112 20 30 DEEDMP C=C(C)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566469003 406089056 /nfs/dbraw/zinc/08/90/56/406089056.db2.gz SFXMNEDLHSBPQX-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000266978943 225342486 /nfs/dbraw/zinc/34/24/86/225342486.db2.gz LIJJKNRDNFJVIL-SNVBAGLBSA-N 2 1 302.344 2.060 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000653542046 425173265 /nfs/dbraw/zinc/17/32/65/425173265.db2.gz DPKAYLREYROQQC-UHFFFAOYSA-N 2 1 305.470 2.406 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000653542046 425173269 /nfs/dbraw/zinc/17/32/69/425173269.db2.gz DPKAYLREYROQQC-UHFFFAOYSA-N 2 1 305.470 2.406 20 30 DEEDMP C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC[NH2+]1 ZINC000662792630 425736779 /nfs/dbraw/zinc/73/67/79/425736779.db2.gz GRQHGOHBUKJGOV-RYRKJORJSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662682516 425712689 /nfs/dbraw/zinc/71/26/89/425712689.db2.gz INNLBQAWEXXBEA-WMZOPIPTSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970674 782090169 /nfs/dbraw/zinc/09/01/69/782090169.db2.gz KLDPCXKLTQPNPW-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970674 782090177 /nfs/dbraw/zinc/09/01/77/782090177.db2.gz KLDPCXKLTQPNPW-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970674 782090184 /nfs/dbraw/zinc/09/01/84/782090184.db2.gz KLDPCXKLTQPNPW-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970674 782090191 /nfs/dbraw/zinc/09/01/91/782090191.db2.gz KLDPCXKLTQPNPW-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000362299351 333046716 /nfs/dbraw/zinc/04/67/16/333046716.db2.gz HDUYRKGILQDCNB-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702517 335148472 /nfs/dbraw/zinc/14/84/72/335148472.db2.gz IRTVIPUOKVNLAF-IRXDYDNUSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702517 335148473 /nfs/dbraw/zinc/14/84/73/335148473.db2.gz IRTVIPUOKVNLAF-IRXDYDNUSA-N 2 1 319.493 2.430 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001330022884 1149035810 /nfs/dbraw/zinc/03/58/10/1149035810.db2.gz VJLOZDRSKZGYRC-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001399224601 1161289228 /nfs/dbraw/zinc/28/92/28/1161289228.db2.gz LBTJESHYAFIDJJ-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001378927396 1152493187 /nfs/dbraw/zinc/49/31/87/1152493187.db2.gz QGACTYKBTZJQHC-HIFRSBDPSA-N 2 1 315.889 2.296 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262194137 526371629 /nfs/dbraw/zinc/37/16/29/526371629.db2.gz GLCQWGPDZQLFPE-LUKYLMHMSA-N 2 1 306.498 2.462 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261996000 526393378 /nfs/dbraw/zinc/39/33/78/526393378.db2.gz SLAHEKBOPRNRLR-KGLIPLIRSA-N 2 1 308.495 2.450 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000337208477 526512980 /nfs/dbraw/zinc/51/29/80/526512980.db2.gz QSYWYUFJYJNMIZ-UXLLHSPISA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000337208477 526512986 /nfs/dbraw/zinc/51/29/86/526512986.db2.gz QSYWYUFJYJNMIZ-UXLLHSPISA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000294908982 526827368 /nfs/dbraw/zinc/82/73/68/526827368.db2.gz GBZDFCOUNOGSNQ-OAHLLOKOSA-N 2 1 304.434 2.447 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000294908982 526827375 /nfs/dbraw/zinc/82/73/75/526827375.db2.gz GBZDFCOUNOGSNQ-OAHLLOKOSA-N 2 1 304.434 2.447 20 30 DEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423099585 526889529 /nfs/dbraw/zinc/88/95/29/526889529.db2.gz FOOIKSWIJCKROE-QRVBRYPASA-N 2 1 316.445 2.498 20 30 DEEDMP CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1F ZINC000267458872 528413235 /nfs/dbraw/zinc/41/32/35/528413235.db2.gz UITJKJPLCAFJPI-CQSZACIVSA-N 2 1 322.428 2.113 20 30 DEEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263107157 528814879 /nfs/dbraw/zinc/81/48/79/528814879.db2.gz DAXZMQVVJOTBHL-OAHLLOKOSA-N 2 1 312.461 2.499 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263025722 529074155 /nfs/dbraw/zinc/07/41/55/529074155.db2.gz AORJJXLOLYARNL-CHWSQXEVSA-N 2 1 302.413 2.201 20 30 DEEDMP CCO[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000194581319 529112253 /nfs/dbraw/zinc/11/22/53/529112253.db2.gz AEJNCCZMWSKMGO-IRXDYDNUSA-N 2 1 318.465 2.153 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023465896 625281247 /nfs/dbraw/zinc/28/12/47/625281247.db2.gz ZAOWGCURVRMSAU-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267607 625314505 /nfs/dbraw/zinc/31/45/05/625314505.db2.gz QQGQMWSHJFCQEC-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554204 625323600 /nfs/dbraw/zinc/32/36/00/625323600.db2.gz HLNWYEQWMGXFRF-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554204 625323602 /nfs/dbraw/zinc/32/36/02/625323602.db2.gz HLNWYEQWMGXFRF-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554204 625323604 /nfs/dbraw/zinc/32/36/04/625323604.db2.gz HLNWYEQWMGXFRF-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484802 625476570 /nfs/dbraw/zinc/47/65/70/625476570.db2.gz JNYUMRDGSFHKLW-HUUCEWRRSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144898 622589653 /nfs/dbraw/zinc/58/96/53/622589653.db2.gz WCDZEKWQYSPZBX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144898 622589658 /nfs/dbraw/zinc/58/96/58/622589658.db2.gz WCDZEKWQYSPZBX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144898 622589664 /nfs/dbraw/zinc/58/96/64/622589664.db2.gz WCDZEKWQYSPZBX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604156 623818077 /nfs/dbraw/zinc/81/80/77/623818077.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604156 623818085 /nfs/dbraw/zinc/81/80/85/623818085.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604156 623818094 /nfs/dbraw/zinc/81/80/94/623818094.db2.gz BGIIBEKBEZRWEG-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022202427 624497564 /nfs/dbraw/zinc/49/75/64/624497564.db2.gz YYDITESHPIULKT-UXLLHSPISA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793936 634419543 /nfs/dbraw/zinc/41/95/43/634419543.db2.gz DBLPGDSTRWLMSM-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328877371 625141142 /nfs/dbraw/zinc/14/11/42/625141142.db2.gz IMUSQUBLCBIRPZ-KRWDZBQOSA-N 2 1 323.481 2.054 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139779 625151343 /nfs/dbraw/zinc/15/13/43/625151343.db2.gz SCLAPGMCFISDJK-NNPSNHGLSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998902795 634442297 /nfs/dbraw/zinc/44/22/97/634442297.db2.gz YHWIMXCJMWVFSF-CGZBRXJRSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498364 625274257 /nfs/dbraw/zinc/27/42/57/625274257.db2.gz KGDFKOJMBNBKSF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498364 625274263 /nfs/dbraw/zinc/27/42/63/625274263.db2.gz KGDFKOJMBNBKSF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498364 625274267 /nfs/dbraw/zinc/27/42/67/625274267.db2.gz KGDFKOJMBNBKSF-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615268 625863116 /nfs/dbraw/zinc/86/31/16/625863116.db2.gz HBSWICWKWCJMDU-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024614575 625933403 /nfs/dbraw/zinc/93/34/03/625933403.db2.gz JDNCHCLHXXLZBI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024614575 625933405 /nfs/dbraw/zinc/93/34/05/625933405.db2.gz JDNCHCLHXXLZBI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024614575 625933408 /nfs/dbraw/zinc/93/34/08/625933408.db2.gz JDNCHCLHXXLZBI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729387 633269861 /nfs/dbraw/zinc/26/98/61/633269861.db2.gz LUWUGWBBGOMCSJ-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974762507 633296471 /nfs/dbraw/zinc/29/64/71/633296471.db2.gz ZTVRPSMOKBKNRO-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762507 633296475 /nfs/dbraw/zinc/29/64/75/633296475.db2.gz ZTVRPSMOKBKNRO-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762507 633296479 /nfs/dbraw/zinc/29/64/79/633296479.db2.gz ZTVRPSMOKBKNRO-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP COCC[NH+]1CCC([NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921593773 633729366 /nfs/dbraw/zinc/72/93/66/633729366.db2.gz COVKIXFVIJTBFK-UHFFFAOYSA-N 2 1 301.434 2.376 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613535 633900057 /nfs/dbraw/zinc/90/00/57/633900057.db2.gz JVICNZDOFFRHHE-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930365 634997136 /nfs/dbraw/zinc/99/71/36/634997136.db2.gz OIGNPCJWFOXLNW-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930365 634997138 /nfs/dbraw/zinc/99/71/38/634997138.db2.gz OIGNPCJWFOXLNW-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930365 634997140 /nfs/dbraw/zinc/99/71/40/634997140.db2.gz OIGNPCJWFOXLNW-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490816 635022210 /nfs/dbraw/zinc/02/22/10/635022210.db2.gz MSBJQXZUECKMOP-IAGOWNOFSA-N 2 1 301.434 2.008 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490816 635022216 /nfs/dbraw/zinc/02/22/16/635022216.db2.gz MSBJQXZUECKMOP-IAGOWNOFSA-N 2 1 301.434 2.008 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981370 635154624 /nfs/dbraw/zinc/15/46/24/635154624.db2.gz ABCSIPGLRPAZTH-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000694423 635268792 /nfs/dbraw/zinc/26/87/92/635268792.db2.gz AUFUOOGDDQZXQW-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000694423 635268798 /nfs/dbraw/zinc/26/87/98/635268798.db2.gz AUFUOOGDDQZXQW-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000694423 635268803 /nfs/dbraw/zinc/26/88/03/635268803.db2.gz AUFUOOGDDQZXQW-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153413 635334672 /nfs/dbraw/zinc/33/46/72/635334672.db2.gz ZRYVJMVLFMCRIY-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153413 635334678 /nfs/dbraw/zinc/33/46/78/635334678.db2.gz ZRYVJMVLFMCRIY-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153413 635334680 /nfs/dbraw/zinc/33/46/80/635334680.db2.gz ZRYVJMVLFMCRIY-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000981283570 635421046 /nfs/dbraw/zinc/42/10/46/635421046.db2.gz XVADCYHEKWYBBC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000981283570 635421048 /nfs/dbraw/zinc/42/10/48/635421048.db2.gz XVADCYHEKWYBBC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000981283570 635421052 /nfs/dbraw/zinc/42/10/52/635421052.db2.gz XVADCYHEKWYBBC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332355 635439247 /nfs/dbraw/zinc/43/92/47/635439247.db2.gz UZGCBPADJBGOMN-MRXNPFEDSA-N 2 1 316.449 2.261 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332355 635439250 /nfs/dbraw/zinc/43/92/50/635439250.db2.gz UZGCBPADJBGOMN-MRXNPFEDSA-N 2 1 316.449 2.261 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404622 635487740 /nfs/dbraw/zinc/48/77/40/635487740.db2.gz JKPPVJRFSMBVHG-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981842961 635687517 /nfs/dbraw/zinc/68/75/17/635687517.db2.gz RKAZMIZEAGVPJE-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981842961 635687521 /nfs/dbraw/zinc/68/75/21/635687521.db2.gz RKAZMIZEAGVPJE-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028253777 635963990 /nfs/dbraw/zinc/96/39/90/635963990.db2.gz GQELXILDLQMQRW-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253777 635963993 /nfs/dbraw/zinc/96/39/93/635963993.db2.gz GQELXILDLQMQRW-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253777 635963996 /nfs/dbraw/zinc/96/39/96/635963996.db2.gz GQELXILDLQMQRW-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922220875 636009823 /nfs/dbraw/zinc/00/98/23/636009823.db2.gz DCYBYESXPDMRLE-QGZVFWFLSA-N 2 1 303.450 2.358 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586693 636269863 /nfs/dbraw/zinc/26/98/63/636269863.db2.gz SKWCFEAZHHRNOA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586693 636269866 /nfs/dbraw/zinc/26/98/66/636269866.db2.gz SKWCFEAZHHRNOA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586693 636269868 /nfs/dbraw/zinc/26/98/68/636269868.db2.gz SKWCFEAZHHRNOA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594843 636470775 /nfs/dbraw/zinc/47/07/75/636470775.db2.gz NGEGEUXHGXQAHI-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594843 636470776 /nfs/dbraw/zinc/47/07/76/636470776.db2.gz NGEGEUXHGXQAHI-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594843 636470779 /nfs/dbraw/zinc/47/07/79/636470779.db2.gz NGEGEUXHGXQAHI-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982831707 636496043 /nfs/dbraw/zinc/49/60/43/636496043.db2.gz QAHDJPAZDRUADY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831707 636496045 /nfs/dbraw/zinc/49/60/45/636496045.db2.gz QAHDJPAZDRUADY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831707 636496047 /nfs/dbraw/zinc/49/60/47/636496047.db2.gz QAHDJPAZDRUADY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731180 636686065 /nfs/dbraw/zinc/68/60/65/636686065.db2.gz ZNVYYYWKUZJBFO-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731180 636686066 /nfs/dbraw/zinc/68/60/66/636686066.db2.gz ZNVYYYWKUZJBFO-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731180 636686069 /nfs/dbraw/zinc/68/60/69/636686069.db2.gz ZNVYYYWKUZJBFO-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755565 636705238 /nfs/dbraw/zinc/70/52/38/636705238.db2.gz QEMPNLKYLZDESZ-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755565 636705241 /nfs/dbraw/zinc/70/52/41/636705241.db2.gz QEMPNLKYLZDESZ-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755565 636705242 /nfs/dbraw/zinc/70/52/42/636705242.db2.gz QEMPNLKYLZDESZ-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005491236 636750041 /nfs/dbraw/zinc/75/00/41/636750041.db2.gz FOHYDGJNJBDJQI-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001005999423 637064453 /nfs/dbraw/zinc/06/44/53/637064453.db2.gz XPQVGDMYSYOMMV-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117230 637215309 /nfs/dbraw/zinc/21/53/09/637215309.db2.gz UYIISXHYUZHAHM-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000985656385 639567431 /nfs/dbraw/zinc/56/74/31/639567431.db2.gz XHJCLZJCGCSBEV-ZDUSSCGKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000985656385 639567436 /nfs/dbraw/zinc/56/74/36/639567436.db2.gz XHJCLZJCGCSBEV-ZDUSSCGKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000985656385 639567437 /nfs/dbraw/zinc/56/74/37/639567437.db2.gz XHJCLZJCGCSBEV-ZDUSSCGKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000990026096 641324061 /nfs/dbraw/zinc/32/40/61/641324061.db2.gz MBPDEMZNBDMTBW-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000990026096 641324064 /nfs/dbraw/zinc/32/40/64/641324064.db2.gz MBPDEMZNBDMTBW-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026096 641324067 /nfs/dbraw/zinc/32/40/67/641324067.db2.gz MBPDEMZNBDMTBW-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026096 641324068 /nfs/dbraw/zinc/32/40/68/641324068.db2.gz MBPDEMZNBDMTBW-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767720 641985333 /nfs/dbraw/zinc/98/53/33/641985333.db2.gz YOKTUTODHXFHPN-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767720 641985336 /nfs/dbraw/zinc/98/53/36/641985336.db2.gz YOKTUTODHXFHPN-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767720 641985340 /nfs/dbraw/zinc/98/53/40/641985340.db2.gz YOKTUTODHXFHPN-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC000903759996 643451942 /nfs/dbraw/zinc/45/19/42/643451942.db2.gz DNCDAXJINUEABW-MRXNPFEDSA-N 2 1 316.453 2.238 20 30 DEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903827508 643474023 /nfs/dbraw/zinc/47/40/23/643474023.db2.gz UWZUOLONVCWLSA-AWEZNQCLSA-N 2 1 305.447 2.210 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905097657 643799975 /nfs/dbraw/zinc/79/99/75/643799975.db2.gz PCXQLAWZEQPHPO-OALUTQOASA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC000908011692 644721379 /nfs/dbraw/zinc/72/13/79/644721379.db2.gz PGWTYSIXMAFKPA-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145245 646871867 /nfs/dbraw/zinc/87/18/67/646871867.db2.gz PRRIQBWLCPGVQU-AEFFLSMTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993681362 647724580 /nfs/dbraw/zinc/72/45/80/647724580.db2.gz GVCLJJRJYOFWAM-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994297378 647904582 /nfs/dbraw/zinc/90/45/82/647904582.db2.gz FWTYEPPJAACZNU-CABCVRRESA-N 2 1 304.438 2.196 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000820847153 647930618 /nfs/dbraw/zinc/93/06/18/647930618.db2.gz SPHVJPPSZYWTQW-UHFFFAOYSA-N 2 1 300.381 2.261 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000820847153 647930619 /nfs/dbraw/zinc/93/06/19/647930619.db2.gz SPHVJPPSZYWTQW-UHFFFAOYSA-N 2 1 300.381 2.261 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934817 /nfs/dbraw/zinc/93/48/17/648934817.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934821 /nfs/dbraw/zinc/93/48/21/648934821.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736141 648934825 /nfs/dbraw/zinc/93/48/25/648934825.db2.gz AGUHQUWOGXOREE-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940790032 648941809 /nfs/dbraw/zinc/94/18/09/648941809.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790032 648941812 /nfs/dbraw/zinc/94/18/12/648941812.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790032 648941813 /nfs/dbraw/zinc/94/18/13/648941813.db2.gz SFIYNBKMIYGYNP-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C(C)(C)C1 ZINC000940813654 648950600 /nfs/dbraw/zinc/95/06/00/648950600.db2.gz YXMOYPKGKKZVIF-FMKPAKJESA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000940813654 648950602 /nfs/dbraw/zinc/95/06/02/648950602.db2.gz YXMOYPKGKKZVIF-FMKPAKJESA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000940813654 648950604 /nfs/dbraw/zinc/95/06/04/648950604.db2.gz YXMOYPKGKKZVIF-FMKPAKJESA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026838 648988448 /nfs/dbraw/zinc/98/84/48/648988448.db2.gz OPJFPMUAHBLCSB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026838 648988451 /nfs/dbraw/zinc/98/84/51/648988451.db2.gz OPJFPMUAHBLCSB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026838 648988454 /nfs/dbraw/zinc/98/84/54/648988454.db2.gz OPJFPMUAHBLCSB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517947 649231377 /nfs/dbraw/zinc/23/13/77/649231377.db2.gz JMAUFTUPSNAWNV-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286802 649358369 /nfs/dbraw/zinc/35/83/69/649358369.db2.gz GRXMQYXYEWBXDG-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286802 649358373 /nfs/dbraw/zinc/35/83/73/649358373.db2.gz GRXMQYXYEWBXDG-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028577 649600275 /nfs/dbraw/zinc/60/02/75/649600275.db2.gz JTYLEOXMSVDVAT-MAUKXSAKSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092270 649611357 /nfs/dbraw/zinc/61/13/57/649611357.db2.gz QCZOEXONTYFAGN-MAUKXSAKSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000852858618 652471051 /nfs/dbraw/zinc/47/10/51/652471051.db2.gz FRIMYMQUHDKPJR-KRWDZBQOSA-N 2 1 311.389 2.213 20 30 DEEDMP C[C@H](CCNC(=[NH2+])N1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000304478378 685255521 /nfs/dbraw/zinc/25/55/21/685255521.db2.gz HOLQHTVEPWJADY-OAHLLOKOSA-N 2 1 320.506 2.261 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304757657 685259987 /nfs/dbraw/zinc/25/99/87/685259987.db2.gz PBHMBAHOCQXRSE-KRWDZBQOSA-N 2 1 324.513 2.362 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)C1CCCCC1 ZINC000104168569 684058528 /nfs/dbraw/zinc/05/85/28/684058528.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000104168569 684058532 /nfs/dbraw/zinc/05/85/32/684058532.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000104168569 684058535 /nfs/dbraw/zinc/05/85/35/684058535.db2.gz PBGLETPRGSQFPM-QGZVFWFLSA-N 3 1 323.529 2.030 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165566 693868481 /nfs/dbraw/zinc/86/84/81/693868481.db2.gz KILTZDJWYVIELB-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165566 693868484 /nfs/dbraw/zinc/86/84/84/693868484.db2.gz KILTZDJWYVIELB-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@H]1C ZINC000303907779 685239615 /nfs/dbraw/zinc/23/96/15/685239615.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303907779 685239622 /nfs/dbraw/zinc/23/96/22/685239622.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000303907779 685239625 /nfs/dbraw/zinc/23/96/25/685239625.db2.gz XAZBVXHMJLYFRF-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651657 687675063 /nfs/dbraw/zinc/67/50/63/687675063.db2.gz JRRLNSQDVDUKSP-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860958 687720512 /nfs/dbraw/zinc/72/05/12/687720512.db2.gz LHKDQHMREYLXFX-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987651 687750671 /nfs/dbraw/zinc/75/06/71/687750671.db2.gz YFESGQZNOQDYSQ-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659675 687934123 /nfs/dbraw/zinc/93/41/23/687934123.db2.gz YBNKTVREVXUHKW-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659675 687934127 /nfs/dbraw/zinc/93/41/27/687934127.db2.gz YBNKTVREVXUHKW-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659675 687934129 /nfs/dbraw/zinc/93/41/29/687934129.db2.gz YBNKTVREVXUHKW-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001023725418 688518922 /nfs/dbraw/zinc/51/89/22/688518922.db2.gz MYJBSNSPPWFQDK-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001023725418 688518926 /nfs/dbraw/zinc/51/89/26/688518926.db2.gz MYJBSNSPPWFQDK-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001023725418 688518930 /nfs/dbraw/zinc/51/89/30/688518930.db2.gz MYJBSNSPPWFQDK-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088833 688533051 /nfs/dbraw/zinc/53/30/51/688533051.db2.gz QPWKOBZKWUDONJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088833 688533053 /nfs/dbraw/zinc/53/30/53/688533053.db2.gz QPWKOBZKWUDONJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088833 688533057 /nfs/dbraw/zinc/53/30/57/688533057.db2.gz QPWKOBZKWUDONJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466011 689510979 /nfs/dbraw/zinc/51/09/79/689510979.db2.gz BNUVRYXPRKKONL-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504132 689524322 /nfs/dbraw/zinc/52/43/22/689524322.db2.gz DGVSKOPMSHFRIV-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204254 689761217 /nfs/dbraw/zinc/76/12/17/689761217.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204254 689761219 /nfs/dbraw/zinc/76/12/19/689761219.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204254 689761221 /nfs/dbraw/zinc/76/12/21/689761221.db2.gz LDKQVRNCSYVIHQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204700 689762035 /nfs/dbraw/zinc/76/20/35/689762035.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204700 689762038 /nfs/dbraw/zinc/76/20/38/689762038.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204700 689762039 /nfs/dbraw/zinc/76/20/39/689762039.db2.gz PGFAGKGBDDVCGF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538514 689890431 /nfs/dbraw/zinc/89/04/31/689890431.db2.gz NZMCNYVMJVUGMW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538514 689890436 /nfs/dbraw/zinc/89/04/36/689890436.db2.gz NZMCNYVMJVUGMW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538514 689890441 /nfs/dbraw/zinc/89/04/41/689890441.db2.gz NZMCNYVMJVUGMW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000876723742 689916125 /nfs/dbraw/zinc/91/61/25/689916125.db2.gz GNBGQKNMTQUSIL-MRXNPFEDSA-N 2 1 321.852 2.021 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876725807 689916796 /nfs/dbraw/zinc/91/67/96/689916796.db2.gz XXGOSJXVBXROOE-OCCSQVGLSA-N 2 1 301.862 2.085 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769663 689931613 /nfs/dbraw/zinc/93/16/13/689931613.db2.gz XGLYBJXVVKRWCA-HOTGVXAUSA-N 2 1 321.852 2.237 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717339 690159663 /nfs/dbraw/zinc/15/96/63/690159663.db2.gz IOSYUSBXGUNDSI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036184558 690284413 /nfs/dbraw/zinc/28/44/13/690284413.db2.gz YSRUXKMKKKUWHX-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000878302574 690372889 /nfs/dbraw/zinc/37/28/89/690372889.db2.gz QXFPNBXEHMDPPD-DFNIBXOVSA-N 2 1 303.494 2.423 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773550 690469757 /nfs/dbraw/zinc/46/97/57/690469757.db2.gz PHSFXJWLODCWDS-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794618 690476663 /nfs/dbraw/zinc/47/66/63/690476663.db2.gz YDONOKGFCMMHTI-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853987 690499812 /nfs/dbraw/zinc/49/98/12/690499812.db2.gz CHNBQLIHGPXXMF-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250092 690758029 /nfs/dbraw/zinc/75/80/29/690758029.db2.gz YKBBFDAFJSNNSS-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250092 690758030 /nfs/dbraw/zinc/75/80/30/690758030.db2.gz YKBBFDAFJSNNSS-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250092 690758033 /nfs/dbraw/zinc/75/80/33/690758033.db2.gz YKBBFDAFJSNNSS-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405555 690809210 /nfs/dbraw/zinc/80/92/10/690809210.db2.gz OUMFAZCKWFIGCT-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643254 690884378 /nfs/dbraw/zinc/88/43/78/690884378.db2.gz GCLQVFWPRPDUDR-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643254 690884380 /nfs/dbraw/zinc/88/43/80/690884380.db2.gz GCLQVFWPRPDUDR-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173089 691038866 /nfs/dbraw/zinc/03/88/66/691038866.db2.gz NGGRZUQKWCMESR-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173089 691038869 /nfs/dbraw/zinc/03/88/69/691038869.db2.gz NGGRZUQKWCMESR-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173089 691038871 /nfs/dbraw/zinc/03/88/71/691038871.db2.gz NGGRZUQKWCMESR-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849429 691292828 /nfs/dbraw/zinc/29/28/28/691292828.db2.gz REVIFXUYEHTODR-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040914233 691298531 /nfs/dbraw/zinc/29/85/31/691298531.db2.gz MOFNPUDIHJGEGV-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041340759 691363335 /nfs/dbraw/zinc/36/33/35/691363335.db2.gz YMVCEUBOSAEFKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340759 691363339 /nfs/dbraw/zinc/36/33/39/691363339.db2.gz YMVCEUBOSAEFKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340759 691363341 /nfs/dbraw/zinc/36/33/41/691363341.db2.gz YMVCEUBOSAEFKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723557 691417483 /nfs/dbraw/zinc/41/74/83/691417483.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723557 691417485 /nfs/dbraw/zinc/41/74/85/691417485.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723557 691417490 /nfs/dbraw/zinc/41/74/90/691417490.db2.gz IVSFNQNVZCNQDC-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000883131119 691436145 /nfs/dbraw/zinc/43/61/45/691436145.db2.gz HUCAIWRVCZWYLF-UHFFFAOYSA-N 2 1 310.825 2.402 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156472 691524492 /nfs/dbraw/zinc/52/44/92/691524492.db2.gz JGYSTJBTSZEMCB-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156472 691524495 /nfs/dbraw/zinc/52/44/95/691524495.db2.gz JGYSTJBTSZEMCB-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001044033551 691761756 /nfs/dbraw/zinc/76/17/56/691761756.db2.gz ADMKRSGKFQGJSC-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044033551 691761760 /nfs/dbraw/zinc/76/17/60/691761760.db2.gz ADMKRSGKFQGJSC-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630267 691861487 /nfs/dbraw/zinc/86/14/87/691861487.db2.gz UMWRUKKNKJVJOT-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049486544 692897585 /nfs/dbraw/zinc/89/75/85/692897585.db2.gz REGMSCFHYKQKQV-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486544 692897589 /nfs/dbraw/zinc/89/75/89/692897589.db2.gz REGMSCFHYKQKQV-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486544 692897592 /nfs/dbraw/zinc/89/75/92/692897592.db2.gz REGMSCFHYKQKQV-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523827 692911042 /nfs/dbraw/zinc/91/10/42/692911042.db2.gz HVDKFGROMFLHKT-BZUAXINKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523827 692911045 /nfs/dbraw/zinc/91/10/45/692911045.db2.gz HVDKFGROMFLHKT-BZUAXINKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592763 692934429 /nfs/dbraw/zinc/93/44/29/692934429.db2.gz JRUMNLUIYBBCOG-IAGOWNOFSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693872 692966398 /nfs/dbraw/zinc/96/63/98/692966398.db2.gz PLDFEVMMCDXMEE-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819750 693011261 /nfs/dbraw/zinc/01/12/61/693011261.db2.gz HUNDVRRMSWSNPV-QZTJIDSGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577185 693209373 /nfs/dbraw/zinc/20/93/73/693209373.db2.gz NIYLAOMOJLZECP-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786164 693342214 /nfs/dbraw/zinc/34/22/14/693342214.db2.gz WKBRUHXHSYAODV-OCCSQVGLSA-N 2 1 309.360 2.484 20 30 DEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)CC2 ZINC000925847837 693352637 /nfs/dbraw/zinc/35/26/37/693352637.db2.gz WFBBTLZLONKDIM-IBGZPJMESA-N 2 1 312.461 2.211 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384205 693520503 /nfs/dbraw/zinc/52/05/03/693520503.db2.gz AZGVONXWMUOFHE-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515822 693554958 /nfs/dbraw/zinc/55/49/58/693554958.db2.gz JWTGZOBVDCURJQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515822 693554961 /nfs/dbraw/zinc/55/49/61/693554961.db2.gz JWTGZOBVDCURJQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515822 693554965 /nfs/dbraw/zinc/55/49/65/693554965.db2.gz JWTGZOBVDCURJQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756883 693612531 /nfs/dbraw/zinc/61/25/31/693612531.db2.gz IZMQROGORVLZEO-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756883 693612532 /nfs/dbraw/zinc/61/25/32/693612532.db2.gz IZMQROGORVLZEO-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766824 693615401 /nfs/dbraw/zinc/61/54/01/693615401.db2.gz OATMZIXAFPOGMR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)c(F)c1 ZINC001333473940 1150055255 /nfs/dbraw/zinc/05/52/55/1150055255.db2.gz SOFRBKRKLKNLKM-UHFFFAOYSA-N 2 1 319.424 2.202 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764926 1157395898 /nfs/dbraw/zinc/39/58/98/1157395898.db2.gz MZNYLMYZUDGPBT-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001393820942 1158008545 /nfs/dbraw/zinc/00/85/45/1158008545.db2.gz GKFXMBZVZXJZMW-ZDUSSCGKSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001400105037 1161653928 /nfs/dbraw/zinc/65/39/28/1161653928.db2.gz XQXMTBXPGVQWEO-AWEZNQCLSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001400170294 1161675495 /nfs/dbraw/zinc/67/54/95/1161675495.db2.gz USXUISWUYMQEPE-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400170294 1161675497 /nfs/dbraw/zinc/67/54/97/1161675497.db2.gz USXUISWUYMQEPE-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400170294 1161675499 /nfs/dbraw/zinc/67/54/99/1161675499.db2.gz USXUISWUYMQEPE-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001401340135 1161938417 /nfs/dbraw/zinc/93/84/17/1161938417.db2.gz TYUGMEHIRYOUTI-SOUVJXGZSA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001401872343 1162161810 /nfs/dbraw/zinc/16/18/10/1162161810.db2.gz ODXULKNKBXBGKY-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001406706711 1164804487 /nfs/dbraw/zinc/80/44/87/1164804487.db2.gz BIAQTZUKACVDIW-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419810723 1168856307 /nfs/dbraw/zinc/85/63/07/1168856307.db2.gz ZLZXPSPSIGGNMI-CABCVRRESA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001420025466 1169075397 /nfs/dbraw/zinc/07/53/97/1169075397.db2.gz RPTDYIATDKYYNW-CABCVRRESA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001436473481 1179127066 /nfs/dbraw/zinc/12/70/66/1179127066.db2.gz DOBMRYDEUSWBFV-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001438299379 1180329321 /nfs/dbraw/zinc/32/93/21/1180329321.db2.gz JRTAKSVWQYREQX-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001438527889 1180555476 /nfs/dbraw/zinc/55/54/76/1180555476.db2.gz ZUTYAYGADGUFBI-HIFRSBDPSA-N 2 1 315.889 2.203 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182756 1181374589 /nfs/dbraw/zinc/37/45/89/1181374589.db2.gz CDHIOGJGWIGGRP-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182756 1181374593 /nfs/dbraw/zinc/37/45/93/1181374593.db2.gz CDHIOGJGWIGGRP-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001441650522 1182113899 /nfs/dbraw/zinc/11/38/99/1182113899.db2.gz KJQRDGHBZZAUDK-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001441850194 1182214353 /nfs/dbraw/zinc/21/43/53/1182214353.db2.gz AHHXETNOROANMB-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001445506376 1183887984 /nfs/dbraw/zinc/88/79/84/1183887984.db2.gz VVQCEPGXZAFDAM-UKRRQHHQSA-N 2 1 309.841 2.136 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001406184874 1164498037 /nfs/dbraw/zinc/49/80/37/1164498037.db2.gz NFEWOUKRRUDGLD-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898387 790293206 /nfs/dbraw/zinc/29/32/06/790293206.db2.gz XDIIHSNJEYWZPH-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255725 782579996 /nfs/dbraw/zinc/57/99/96/782579996.db2.gz FHXRNAOZXPSRLU-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106664965 782839989 /nfs/dbraw/zinc/83/99/89/782839989.db2.gz DHMPIDYIGASHBA-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419423 783088659 /nfs/dbraw/zinc/08/86/59/783088659.db2.gz GDBWDJTXCLMNJS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419423 783088669 /nfs/dbraw/zinc/08/86/69/783088669.db2.gz GDBWDJTXCLMNJS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419423 783088675 /nfs/dbraw/zinc/08/86/75/783088675.db2.gz GDBWDJTXCLMNJS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565438 783213726 /nfs/dbraw/zinc/21/37/26/783213726.db2.gz SAYXSWKIZWXQGE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565438 783213731 /nfs/dbraw/zinc/21/37/31/783213731.db2.gz SAYXSWKIZWXQGE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565438 783213737 /nfs/dbraw/zinc/21/37/37/783213737.db2.gz SAYXSWKIZWXQGE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727194 783216067 /nfs/dbraw/zinc/21/60/67/783216067.db2.gz WEEWWWMPJPHDDZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727194 783216075 /nfs/dbraw/zinc/21/60/75/783216075.db2.gz WEEWWWMPJPHDDZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727194 783216082 /nfs/dbraw/zinc/21/60/82/783216082.db2.gz WEEWWWMPJPHDDZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232699 776787112 /nfs/dbraw/zinc/78/71/12/776787112.db2.gz MWSGCXPMZBXQAB-INIZCTEOSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237089 776789672 /nfs/dbraw/zinc/78/96/72/776789672.db2.gz UIDFSBNITADCOO-HZPDHXFCSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2cnc(C[NH3+])cc2=N)cc1 ZINC001167362268 776952316 /nfs/dbraw/zinc/95/23/16/776952316.db2.gz RKYYASFJYBJIPS-QGZVFWFLSA-N 2 1 309.417 2.133 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2cnc(C[NH3+])cc2=N)cc1 ZINC001167362268 776952320 /nfs/dbraw/zinc/95/23/20/776952320.db2.gz RKYYASFJYBJIPS-QGZVFWFLSA-N 2 1 309.417 2.133 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355181 777113384 /nfs/dbraw/zinc/11/33/84/777113384.db2.gz QPACYIMJMOUAPS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010942 779631981 /nfs/dbraw/zinc/63/19/81/779631981.db2.gz RQWDATIJLXPABA-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088021644 779638875 /nfs/dbraw/zinc/63/88/75/779638875.db2.gz XMZFFWLDAXAFKZ-CVEARBPZSA-N 2 1 324.428 2.223 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077205 779680797 /nfs/dbraw/zinc/68/07/97/779680797.db2.gz NOSYJDNXSRIAPH-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077205 779680804 /nfs/dbraw/zinc/68/08/04/779680804.db2.gz NOSYJDNXSRIAPH-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077205 779680808 /nfs/dbraw/zinc/68/08/08/779680808.db2.gz NOSYJDNXSRIAPH-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088562767 780477806 /nfs/dbraw/zinc/47/78/06/780477806.db2.gz MBYMHVKDCGOFIT-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579200 780538091 /nfs/dbraw/zinc/53/80/91/780538091.db2.gz UIBSCXUIBSFFOB-CBBWQLFWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616524 783282955 /nfs/dbraw/zinc/28/29/55/783282955.db2.gz JHZSJWDVAVTKHV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616524 783282961 /nfs/dbraw/zinc/28/29/61/783282961.db2.gz JHZSJWDVAVTKHV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616524 783282966 /nfs/dbraw/zinc/28/29/66/783282966.db2.gz JHZSJWDVAVTKHV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722613 783387179 /nfs/dbraw/zinc/38/71/79/783387179.db2.gz BABXVOFYCROGGP-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369232 783441980 /nfs/dbraw/zinc/44/19/80/783441980.db2.gz XRHNPQRMSBPJMQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948369232 783441986 /nfs/dbraw/zinc/44/19/86/783441986.db2.gz XRHNPQRMSBPJMQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948369232 783441992 /nfs/dbraw/zinc/44/19/92/783441992.db2.gz XRHNPQRMSBPJMQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369231 783442486 /nfs/dbraw/zinc/44/24/86/783442486.db2.gz XRHNPQRMSBPJMQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948369231 783442490 /nfs/dbraw/zinc/44/24/90/783442490.db2.gz XRHNPQRMSBPJMQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948369231 783442494 /nfs/dbraw/zinc/44/24/94/783442494.db2.gz XRHNPQRMSBPJMQ-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948425020 783460800 /nfs/dbraw/zinc/46/08/00/783460800.db2.gz NBUCPLUMSVVUBV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948425020 783460809 /nfs/dbraw/zinc/46/08/09/783460809.db2.gz NBUCPLUMSVVUBV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948425020 783460815 /nfs/dbraw/zinc/46/08/15/783460815.db2.gz NBUCPLUMSVVUBV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376733 783969710 /nfs/dbraw/zinc/96/97/10/783969710.db2.gz JUUKDEGOHUJSJO-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376622 784338333 /nfs/dbraw/zinc/33/83/33/784338333.db2.gz APXCHBPTNAJRRQ-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376622 784338342 /nfs/dbraw/zinc/33/83/42/784338342.db2.gz APXCHBPTNAJRRQ-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378114 784338751 /nfs/dbraw/zinc/33/87/51/784338751.db2.gz NTOWEZJNUAOCIV-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086175806 784465068 /nfs/dbraw/zinc/46/50/68/784465068.db2.gz MNKROHHBLPGNLN-JZXOWHBKSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857081 784621742 /nfs/dbraw/zinc/62/17/42/784621742.db2.gz SLTOKWYLGGMSMK-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086413559 784692418 /nfs/dbraw/zinc/69/24/18/784692418.db2.gz MMVDKIURUHHPOQ-BRWVUGGUSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nc(CC[NH3+])nc2C)cc1 ZINC001168992751 784994846 /nfs/dbraw/zinc/99/48/46/784994846.db2.gz VOHAVEHWCJQVIQ-QGZVFWFLSA-N 2 1 311.433 2.400 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008267667 785157146 /nfs/dbraw/zinc/15/71/46/785157146.db2.gz BZZCVQWQZVCBAH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008267667 785157152 /nfs/dbraw/zinc/15/71/52/785157152.db2.gz BZZCVQWQZVCBAH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008267667 785157155 /nfs/dbraw/zinc/15/71/55/785157155.db2.gz BZZCVQWQZVCBAH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008539393 785234104 /nfs/dbraw/zinc/23/41/04/785234104.db2.gz KCIRYRLUDXHGST-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008879547 785320563 /nfs/dbraw/zinc/32/05/63/785320563.db2.gz DADWNDYZRARGEK-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169502 785402252 /nfs/dbraw/zinc/40/22/52/785402252.db2.gz PGCOJTMDYSVEME-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169502 785402254 /nfs/dbraw/zinc/40/22/54/785402254.db2.gz PGCOJTMDYSVEME-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009169502 785402257 /nfs/dbraw/zinc/40/22/57/785402257.db2.gz PGCOJTMDYSVEME-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009169502 785402260 /nfs/dbraw/zinc/40/22/60/785402260.db2.gz PGCOJTMDYSVEME-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246873 791121583 /nfs/dbraw/zinc/12/15/83/791121583.db2.gz HOEFDSGBVKKBST-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982801 786119981 /nfs/dbraw/zinc/11/99/81/786119981.db2.gz SITNTEBGWGSUHN-NCOADZHNSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170047884 786157104 /nfs/dbraw/zinc/15/71/04/786157104.db2.gz UMFVQHLSZZFGPN-QZTJIDSGSA-N 2 1 301.434 2.410 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112586348 786165441 /nfs/dbraw/zinc/16/54/41/786165441.db2.gz VIOIESTUGQEYRC-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112965932 786333317 /nfs/dbraw/zinc/33/33/17/786333317.db2.gz PRKGRZSCIRYAQG-KRWDZBQOSA-N 2 1 309.498 2.441 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234530 787591369 /nfs/dbraw/zinc/59/13/69/787591369.db2.gz TXIRLZBHIHEFPU-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424569 787616477 /nfs/dbraw/zinc/61/64/77/787616477.db2.gz WNKWEXISOLCPOK-UHFFFAOYSA-N 2 1 318.465 2.214 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207821 787965906 /nfs/dbraw/zinc/96/59/06/787965906.db2.gz XJTRXHFJYLETTO-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207821 787965911 /nfs/dbraw/zinc/96/59/11/787965911.db2.gz XJTRXHFJYLETTO-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207821 787965914 /nfs/dbraw/zinc/96/59/14/787965914.db2.gz XJTRXHFJYLETTO-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493586 788104762 /nfs/dbraw/zinc/10/47/62/788104762.db2.gz MGPQCTGPYCHETR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937252 788231650 /nfs/dbraw/zinc/23/16/50/788231650.db2.gz IZMFQMRKKBNELJ-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976509 788245969 /nfs/dbraw/zinc/24/59/69/788245969.db2.gz FIUJCDQQBXEBCC-DOMZBBRYSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133313224 788366050 /nfs/dbraw/zinc/36/60/50/788366050.db2.gz BRVHVFCATBAADE-DOMZBBRYSA-N 2 1 324.856 2.018 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716682 788734830 /nfs/dbraw/zinc/73/48/30/788734830.db2.gz MMEHJBSAWVALNZ-GVDBMIGSSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717321 788758932 /nfs/dbraw/zinc/75/89/32/788758932.db2.gz RESPETNELGRBFB-JZXOWHBKSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691194 789451305 /nfs/dbraw/zinc/45/13/05/789451305.db2.gz PUZFIBALZDEGFP-DLBZAZTESA-N 2 1 309.498 2.395 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509034 789749117 /nfs/dbraw/zinc/74/91/17/789749117.db2.gz WPIFMXUAZXSKHW-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509034 789749122 /nfs/dbraw/zinc/74/91/22/789749122.db2.gz WPIFMXUAZXSKHW-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071607425 789809713 /nfs/dbraw/zinc/80/97/13/789809713.db2.gz PIYBROLOGUPWHP-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071954074 789985662 /nfs/dbraw/zinc/98/56/62/789985662.db2.gz JJOYCMGLUCNBDQ-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636616 /nfs/dbraw/zinc/63/66/16/791636616.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636621 /nfs/dbraw/zinc/63/66/21/791636621.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666529 791636624 /nfs/dbraw/zinc/63/66/24/791636624.db2.gz AYPBJIDGYWUECQ-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277657 791728213 /nfs/dbraw/zinc/72/82/13/791728213.db2.gz JZNINVPRXFCDBH-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277657 791728215 /nfs/dbraw/zinc/72/82/15/791728215.db2.gz JZNINVPRXFCDBH-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477209 791752341 /nfs/dbraw/zinc/75/23/41/791752341.db2.gz MPLPFUOPKRCCGQ-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907739 791845059 /nfs/dbraw/zinc/84/50/59/791845059.db2.gz AGYIOXGLHBEFJO-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907741 791845368 /nfs/dbraw/zinc/84/53/68/791845368.db2.gz AGYIOXGLHBEFJO-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946351 791994858 /nfs/dbraw/zinc/99/48/58/791994858.db2.gz OIMMTQSHUDMQMC-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946351 791994861 /nfs/dbraw/zinc/99/48/61/791994861.db2.gz OIMMTQSHUDMQMC-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001099026507 792046294 /nfs/dbraw/zinc/04/62/94/792046294.db2.gz CRKYBRDBPIYXQQ-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099026507 792046306 /nfs/dbraw/zinc/04/63/06/792046306.db2.gz CRKYBRDBPIYXQQ-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099026507 792046318 /nfs/dbraw/zinc/04/63/18/792046318.db2.gz CRKYBRDBPIYXQQ-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100511704 792696165 /nfs/dbraw/zinc/69/61/65/792696165.db2.gz LBSJUMKZOLXPRP-UHFFFAOYSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159158 792994189 /nfs/dbraw/zinc/99/41/89/792994189.db2.gz BNOOANLEDRSCDE-NCOADZHNSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159158 792994193 /nfs/dbraw/zinc/99/41/93/792994193.db2.gz BNOOANLEDRSCDE-NCOADZHNSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159158 792994196 /nfs/dbraw/zinc/99/41/96/792994196.db2.gz BNOOANLEDRSCDE-NCOADZHNSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341200 793126584 /nfs/dbraw/zinc/12/65/84/793126584.db2.gz ALMOIBARNGMETD-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133961 /nfs/dbraw/zinc/13/39/61/793133961.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133964 /nfs/dbraw/zinc/13/39/64/793133964.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364080 793133966 /nfs/dbraw/zinc/13/39/66/793133966.db2.gz MOODZVICQNNRKV-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361909 793134636 /nfs/dbraw/zinc/13/46/36/793134636.db2.gz LBDUFAZPBGTPBX-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472192 793626291 /nfs/dbraw/zinc/62/62/91/793626291.db2.gz NIYSVNQSJWXEJF-KZNAEPCWSA-N 2 1 321.509 2.060 20 30 DEEDMP C[NH+]1CCC(C[NH+]2CCN(C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173601698 793777469 /nfs/dbraw/zinc/77/74/69/793777469.db2.gz ZUAODQXDEJIXMF-UHFFFAOYSA-N 2 1 318.509 2.418 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088426 793936000 /nfs/dbraw/zinc/93/60/00/793936000.db2.gz AMTCGXSHHLGIGA-KBAYOESNSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373447 794062740 /nfs/dbraw/zinc/06/27/40/794062740.db2.gz RIUXXCQLKAQIDV-HUUCEWRRSA-N 2 1 319.449 2.215 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176758376 794497346 /nfs/dbraw/zinc/49/73/46/794497346.db2.gz AFBKELHQXVHICV-AEFFLSMTSA-N 2 1 315.461 2.187 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415544 794665982 /nfs/dbraw/zinc/66/59/82/794665982.db2.gz BOYQWPZMGKPAAG-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178728756 794991659 /nfs/dbraw/zinc/99/16/59/794991659.db2.gz DTWOQMMXBACMQN-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178816080 795012699 /nfs/dbraw/zinc/01/26/99/795012699.db2.gz TVPBUBYEJZYJPD-DLBZAZTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060623 795233739 /nfs/dbraw/zinc/23/37/39/795233739.db2.gz JTYPAVFVRMXARD-HNNXBMFYSA-N 2 1 315.889 2.347 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138912 795240027 /nfs/dbraw/zinc/24/00/27/795240027.db2.gz QWACEBMKAGEPMJ-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299282 795268851 /nfs/dbraw/zinc/26/88/51/795268851.db2.gz PBTTUKMGDQCNAA-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299282 795268852 /nfs/dbraw/zinc/26/88/52/795268852.db2.gz PBTTUKMGDQCNAA-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130340 795410294 /nfs/dbraw/zinc/41/02/94/795410294.db2.gz WYHYQSSUXUSNBF-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207845 795422335 /nfs/dbraw/zinc/42/23/35/795422335.db2.gz ISTVLXFYAXJZBJ-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422665 795455934 /nfs/dbraw/zinc/45/59/34/795455934.db2.gz NXMBYBXFOFOVAA-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440145 795459429 /nfs/dbraw/zinc/45/94/29/795459429.db2.gz MAOZPJGZXGMMCK-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440145 795459435 /nfs/dbraw/zinc/45/94/35/795459435.db2.gz MAOZPJGZXGMMCK-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440145 795459438 /nfs/dbraw/zinc/45/94/38/795459438.db2.gz MAOZPJGZXGMMCK-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120833803 795539462 /nfs/dbraw/zinc/53/94/62/795539462.db2.gz AVUFSOAVKIPSSH-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623981 795715195 /nfs/dbraw/zinc/71/51/95/795715195.db2.gz WYECGTSAJQHXOV-VQIMIIECSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122021572 795717817 /nfs/dbraw/zinc/71/78/17/795717817.db2.gz ARIAMPHTSXIXEM-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122185936 795734178 /nfs/dbraw/zinc/73/41/78/795734178.db2.gz FTCYLZCKOLNKRO-UHFFFAOYSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001183228653 795828051 /nfs/dbraw/zinc/82/80/51/795828051.db2.gz OSYXANCVBOKTBU-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810123 796130456 /nfs/dbraw/zinc/13/04/56/796130456.db2.gz KUBWYLAQNLEZJY-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185682988 796303675 /nfs/dbraw/zinc/30/36/75/796303675.db2.gz VLGLYTLSFICNJZ-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001185993644 796342679 /nfs/dbraw/zinc/34/26/79/796342679.db2.gz LMAQTKNJVXFEPD-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203036668 796520810 /nfs/dbraw/zinc/52/08/10/796520810.db2.gz PYDYXZXKFTURRI-DLBZAZTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111268 796764528 /nfs/dbraw/zinc/76/45/28/796764528.db2.gz XWKRXMWCKJTESK-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189870740 796894559 /nfs/dbraw/zinc/89/45/59/796894559.db2.gz DQBJUMVIZIOLOP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646138 797048129 /nfs/dbraw/zinc/04/81/29/797048129.db2.gz XWRBNEPWLXAMIV-HOTGVXAUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080556 797133675 /nfs/dbraw/zinc/13/36/75/797133675.db2.gz IWQFKBAKRWLZBW-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967076 797299571 /nfs/dbraw/zinc/29/95/71/797299571.db2.gz DBMLLCNFVMWJTI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967076 797299574 /nfs/dbraw/zinc/29/95/74/797299574.db2.gz DBMLLCNFVMWJTI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967076 797299575 /nfs/dbraw/zinc/29/95/75/797299575.db2.gz DBMLLCNFVMWJTI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407166 797386489 /nfs/dbraw/zinc/38/64/89/797386489.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407166 797386495 /nfs/dbraw/zinc/38/64/95/797386495.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407166 797386501 /nfs/dbraw/zinc/38/65/01/797386501.db2.gz RYRZWOPJUGCCJG-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680148 797430029 /nfs/dbraw/zinc/43/00/29/797430029.db2.gz LSUKRHOFPHHBEO-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917215 797471556 /nfs/dbraw/zinc/47/15/56/797471556.db2.gz LBBKTFNPDSDIBW-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205747 797520763 /nfs/dbraw/zinc/52/07/63/797520763.db2.gz VWFNTTJGOMDLBH-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)CC1 ZINC001194245754 797699614 /nfs/dbraw/zinc/69/96/14/797699614.db2.gz DRYDIGPIRACHRK-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246932 797700016 /nfs/dbraw/zinc/70/00/16/797700016.db2.gz TUUSPAHWCYEWEC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244058 797716423 /nfs/dbraw/zinc/71/64/23/797716423.db2.gz BVVVPNJXWRJKII-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244058 797716427 /nfs/dbraw/zinc/71/64/27/797716427.db2.gz BVVVPNJXWRJKII-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282954 797725800 /nfs/dbraw/zinc/72/58/00/797725800.db2.gz DQMHRHBRQYUMMF-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155282954 797725803 /nfs/dbraw/zinc/72/58/03/797725803.db2.gz DQMHRHBRQYUMMF-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155282954 797725807 /nfs/dbraw/zinc/72/58/07/797725807.db2.gz DQMHRHBRQYUMMF-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155282954 797725809 /nfs/dbraw/zinc/72/58/09/797725809.db2.gz DQMHRHBRQYUMMF-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449453 797725795 /nfs/dbraw/zinc/72/57/95/797725795.db2.gz TUZBYXKDDBJYKO-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449453 797725799 /nfs/dbraw/zinc/72/57/99/797725799.db2.gz TUZBYXKDDBJYKO-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449453 797725802 /nfs/dbraw/zinc/72/58/02/797725802.db2.gz TUZBYXKDDBJYKO-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449453 797725806 /nfs/dbraw/zinc/72/58/06/797725806.db2.gz TUZBYXKDDBJYKO-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP Cc1[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)ccc1CC#N ZINC001155385331 797744990 /nfs/dbraw/zinc/74/49/90/797744990.db2.gz UIIKQGKDLJFQTP-MRXNPFEDSA-N 2 1 314.433 2.417 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196153780 798014554 /nfs/dbraw/zinc/01/45/54/798014554.db2.gz AAIRYVMRQPHQEP-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196153780 798014559 /nfs/dbraw/zinc/01/45/59/798014559.db2.gz AAIRYVMRQPHQEP-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196153780 798014564 /nfs/dbraw/zinc/01/45/64/798014564.db2.gz AAIRYVMRQPHQEP-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641620 798082305 /nfs/dbraw/zinc/08/23/05/798082305.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641620 798082311 /nfs/dbraw/zinc/08/23/11/798082311.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641620 798082314 /nfs/dbraw/zinc/08/23/14/798082314.db2.gz JJHORZMXXYZYQS-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157082027 798140211 /nfs/dbraw/zinc/14/02/11/798140211.db2.gz ZZKJOGATWDTXHG-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157082027 798140215 /nfs/dbraw/zinc/14/02/15/798140215.db2.gz ZZKJOGATWDTXHG-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP CCCc1cc(C#N)c(NC(=[NH2+])NCCCC[NH3+])nc1Cl ZINC001157097021 798142916 /nfs/dbraw/zinc/14/29/16/798142916.db2.gz QYIQIPKOVQEOKT-UHFFFAOYSA-N 2 1 308.817 2.234 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158067268 798336143 /nfs/dbraw/zinc/33/61/43/798336143.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067268 798336149 /nfs/dbraw/zinc/33/61/49/798336149.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067268 798336154 /nfs/dbraw/zinc/33/61/54/798336154.db2.gz ZHALIGHYONFMAY-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768074 798465969 /nfs/dbraw/zinc/46/59/69/798465969.db2.gz HDKFQOZECCHVKU-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856476 798479376 /nfs/dbraw/zinc/47/93/76/798479376.db2.gz IYAIUQWZSFKUCX-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159900937 798623664 /nfs/dbraw/zinc/62/36/64/798623664.db2.gz DTOPFILKZJUATG-CQSZACIVSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160380222 798681531 /nfs/dbraw/zinc/68/15/31/798681531.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160380222 798681533 /nfs/dbraw/zinc/68/15/33/798681533.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160380222 798681536 /nfs/dbraw/zinc/68/15/36/798681536.db2.gz VNPFAZKQGCHYJD-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406346 798684342 /nfs/dbraw/zinc/68/43/42/798684342.db2.gz NYVIYCDESKBDAB-KRWDZBQOSA-N 2 1 307.482 2.287 20 30 DEEDMP COCCC1(CNc2ccc(CC#N)c(C)[nH+]2)CC[NH2+]CC1 ZINC001161502753 798873252 /nfs/dbraw/zinc/87/32/52/798873252.db2.gz JYEWNPASHQKRIS-UHFFFAOYSA-N 2 1 302.422 2.274 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406343 799090313 /nfs/dbraw/zinc/09/03/13/799090313.db2.gz AJSJNFQSCMVPNS-FVQHAEBGSA-N 2 1 319.493 2.264 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463019 799128898 /nfs/dbraw/zinc/12/88/98/799128898.db2.gz CRCNXLSOVBPGIC-TWMKSMIVSA-N 2 1 309.498 2.343 20 30 DEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977495 799212436 /nfs/dbraw/zinc/21/24/36/799212436.db2.gz TYAIHENTVSXHSW-UHFFFAOYSA-N 2 1 317.477 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163821759 799441224 /nfs/dbraw/zinc/44/12/24/799441224.db2.gz OZSJGJQBFFONFL-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(CC#N)c1 ZINC001164213596 799540541 /nfs/dbraw/zinc/54/05/41/799540541.db2.gz XULHPGXUCRWRAY-UHFFFAOYSA-N 2 1 316.449 2.199 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001095498778 799632766 /nfs/dbraw/zinc/63/27/66/799632766.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095498778 799632769 /nfs/dbraw/zinc/63/27/69/799632769.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095498778 799632774 /nfs/dbraw/zinc/63/27/74/799632774.db2.gz DRBMZIFQRMRIMW-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331813 799706275 /nfs/dbraw/zinc/70/62/75/799706275.db2.gz DFXBTNLAPYPMRH-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165776596 799772523 /nfs/dbraw/zinc/77/25/23/799772523.db2.gz PTWKLPZKTMHXLB-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793353 799951660 /nfs/dbraw/zinc/95/16/60/799951660.db2.gz KJEMVKIYPVDIOA-MRXNPFEDSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469564 800361553 /nfs/dbraw/zinc/36/15/53/800361553.db2.gz MMPUSWSRRVCIGZ-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccncc2C)CC1 ZINC001205873494 800435471 /nfs/dbraw/zinc/43/54/71/800435471.db2.gz RFQFWCFXQPOZQP-UHFFFAOYSA-N 2 1 314.477 2.182 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014488 800893356 /nfs/dbraw/zinc/89/33/56/800893356.db2.gz QRXJUPNUTBHXHK-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@@H+](C)C1)CCO2 ZINC001208610216 801032320 /nfs/dbraw/zinc/03/23/20/801032320.db2.gz ZYSFGTCSBARYGD-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@H+](C)C1)CCO2 ZINC001208610216 801032325 /nfs/dbraw/zinc/03/23/25/801032325.db2.gz ZYSFGTCSBARYGD-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H]1CCC[NH+](C)C1)CCO2 ZINC001208610216 801032330 /nfs/dbraw/zinc/03/23/30/801032330.db2.gz ZYSFGTCSBARYGD-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCC[NH+](C)C1)CCO2 ZINC001208610216 801032336 /nfs/dbraw/zinc/03/23/36/801032336.db2.gz ZYSFGTCSBARYGD-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209698286 801259761 /nfs/dbraw/zinc/25/97/61/801259761.db2.gz NSWNAUAMEFYFBT-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229609760 801296527 /nfs/dbraw/zinc/29/65/27/801296527.db2.gz GCLRMIIFTFRWLI-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374249 801394790 /nfs/dbraw/zinc/39/47/90/801394790.db2.gz LNNOBEBUPXNCMA-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591958 801430337 /nfs/dbraw/zinc/43/03/37/801430337.db2.gz NRQVMBQYSXSWPL-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#Cc1cccc(C[NH+]2CCN(CC[NH+](CC=C)CC=C)CC2)c1 ZINC001231660617 801706652 /nfs/dbraw/zinc/70/66/52/801706652.db2.gz IWDGOFZYAWCWAL-UHFFFAOYSA-N 2 1 323.484 2.460 20 30 DEEDMP N#Cc1ccc(-c2ccccc2NC(=O)C[NH2+]CCC[NH3+])cc1 ZINC001219270389 802304172 /nfs/dbraw/zinc/30/41/72/802304172.db2.gz HZXJHFJJVSLJLW-UHFFFAOYSA-N 2 1 308.385 2.102 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223378446 802785741 /nfs/dbraw/zinc/78/57/41/802785741.db2.gz JQQBOSOCJYQNMX-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224711855 802896637 /nfs/dbraw/zinc/89/66/37/802896637.db2.gz DGONJOADKRWCEN-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226890104 803172877 /nfs/dbraw/zinc/17/28/77/803172877.db2.gz IMHDGSSRQMPJKP-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC001228925419 803430988 /nfs/dbraw/zinc/43/09/88/803430988.db2.gz UTZCRGYOLATPAT-HZPDHXFCSA-N 2 1 316.449 2.047 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001328577375 1148812584 /nfs/dbraw/zinc/81/25/84/1148812584.db2.gz FDSQPOJKTKJXNR-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328577375 1148812586 /nfs/dbraw/zinc/81/25/86/1148812586.db2.gz FDSQPOJKTKJXNR-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001328577375 1148812587 /nfs/dbraw/zinc/81/25/87/1148812587.db2.gz FDSQPOJKTKJXNR-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001328738788 1148829861 /nfs/dbraw/zinc/82/98/61/1148829861.db2.gz YPUNORFEGSTSDP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001328738788 1148829862 /nfs/dbraw/zinc/82/98/62/1148829862.db2.gz YPUNORFEGSTSDP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001328738788 1148829864 /nfs/dbraw/zinc/82/98/64/1148829864.db2.gz YPUNORFEGSTSDP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328764264 1148832498 /nfs/dbraw/zinc/83/24/98/1148832498.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001328764264 1148832499 /nfs/dbraw/zinc/83/24/99/1148832499.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001328764264 1148832500 /nfs/dbraw/zinc/83/25/00/1148832500.db2.gz JUFOEFWGKPPJTM-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783910 1148834980 /nfs/dbraw/zinc/83/49/80/1148834980.db2.gz AGIWGDJYCWUEDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783910 1148834981 /nfs/dbraw/zinc/83/49/81/1148834981.db2.gz AGIWGDJYCWUEDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001328796094 1148835947 /nfs/dbraw/zinc/83/59/47/1148835947.db2.gz GUFWGKGRNUGTBH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129492 1059969372 /nfs/dbraw/zinc/96/93/72/1059969372.db2.gz GVBQRMJMFHNPBI-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001503023406 1060426156 /nfs/dbraw/zinc/42/61/56/1060426156.db2.gz LSTUVCMWANUGFA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001505397410 1060525345 /nfs/dbraw/zinc/52/53/45/1060525345.db2.gz FDELSYVNMZKFCH-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430576 1060580283 /nfs/dbraw/zinc/58/02/83/1060580283.db2.gz FBDIQHSDDSXUNA-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430577 1060581494 /nfs/dbraw/zinc/58/14/94/1060581494.db2.gz FBDIQHSDDSXUNA-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001505473847 1060643308 /nfs/dbraw/zinc/64/33/08/1060643308.db2.gz ZCTIIOKUJIDGSX-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473847 1060643310 /nfs/dbraw/zinc/64/33/10/1060643310.db2.gz ZCTIIOKUJIDGSX-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473847 1060643315 /nfs/dbraw/zinc/64/33/15/1060643315.db2.gz ZCTIIOKUJIDGSX-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001479403249 1061442328 /nfs/dbraw/zinc/44/23/28/1061442328.db2.gz XMIYNWFSDPXHPK-SHTZXODSSA-N 2 1 324.856 2.209 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001479572744 1061507672 /nfs/dbraw/zinc/50/76/72/1061507672.db2.gz QTYIJUMGIHHVGV-IKGGRYGDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519717 /nfs/dbraw/zinc/51/97/17/1061519717.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519729 /nfs/dbraw/zinc/51/97/29/1061519729.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613554 1061519744 /nfs/dbraw/zinc/51/97/44/1061519744.db2.gz NEZDYSPEIZNUAH-PVAVHDDUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001479647685 1061559470 /nfs/dbraw/zinc/55/94/70/1061559470.db2.gz YMSPUQKGUXQDLD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001506489107 1062037326 /nfs/dbraw/zinc/03/73/26/1062037326.db2.gz OHYQXZFXOCNCAQ-ROUUACIJSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915063 1062050954 /nfs/dbraw/zinc/05/09/54/1062050954.db2.gz HGZQRFVZMBNWMQ-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001507145122 1062911739 /nfs/dbraw/zinc/91/17/39/1062911739.db2.gz WZDZTIWZJAYYKC-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001480479664 1062913447 /nfs/dbraw/zinc/91/34/47/1062913447.db2.gz KOYWJJCJHAQYJA-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001480479664 1062913469 /nfs/dbraw/zinc/91/34/69/1062913469.db2.gz KOYWJJCJHAQYJA-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507396728 1063224763 /nfs/dbraw/zinc/22/47/63/1063224763.db2.gz FAOVGQFWIAEJSN-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138545 1064135594 /nfs/dbraw/zinc/13/55/94/1064135594.db2.gz WGWPJAUEAAZLEU-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001494715369 1064430893 /nfs/dbraw/zinc/43/08/93/1064430893.db2.gz VXNYHXDDIWKQEM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001494715369 1064430917 /nfs/dbraw/zinc/43/09/17/1064430917.db2.gz VXNYHXDDIWKQEM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001567973635 1064572435 /nfs/dbraw/zinc/57/24/35/1064572435.db2.gz JYGVXXBIULDNQF-CVEARBPZSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001567998350 1064585135 /nfs/dbraw/zinc/58/51/35/1064585135.db2.gz JCQYVGHPMLIXMM-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001568176011 1064685281 /nfs/dbraw/zinc/68/52/81/1064685281.db2.gz PIYXUSQJMLVWOJ-WBVHZDCISA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001568357840 1064801952 /nfs/dbraw/zinc/80/19/52/1064801952.db2.gz MKRRVLMMTINCJE-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568393094 1064832483 /nfs/dbraw/zinc/83/24/83/1064832483.db2.gz CWSBHAJJQGEYHW-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001568537623 1064948442 /nfs/dbraw/zinc/94/84/42/1064948442.db2.gz SOQZBFGHHJGDFD-GJZGRUSLSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001496170385 1065320100 /nfs/dbraw/zinc/32/01/00/1065320100.db2.gz POWYFOKNCWESDN-CYBMUJFWSA-N 2 1 312.845 2.196 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386057 1065480842 /nfs/dbraw/zinc/48/08/42/1065480842.db2.gz IYGASXUBDZCEMX-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001569400279 1065489294 /nfs/dbraw/zinc/48/92/94/1065489294.db2.gz KQKCEVWLHAZHSY-JKSUJKDBSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518693 1065562436 /nfs/dbraw/zinc/56/24/36/1065562436.db2.gz KVJIVJWPEGHKAA-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001496861145 1065759890 /nfs/dbraw/zinc/75/98/90/1065759890.db2.gz FPAXKNHZOGKTHF-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001496861145 1065759904 /nfs/dbraw/zinc/75/99/04/1065759904.db2.gz FPAXKNHZOGKTHF-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570014047 1065883780 /nfs/dbraw/zinc/88/37/80/1065883780.db2.gz XDQDHJPAHCMGBJ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001570260666 1065993756 /nfs/dbraw/zinc/99/37/56/1065993756.db2.gz HQHAUCUMCSHDFT-UHFFFAOYSA-N 2 1 304.438 2.279 20 30 DEEDMP CC(C)[C@@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001575422853 1066296627 /nfs/dbraw/zinc/29/66/27/1066296627.db2.gz NQMJWROSCIBUJS-HNNXBMFYSA-N 2 1 304.413 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613716 1067277953 /nfs/dbraw/zinc/27/79/53/1067277953.db2.gz GUOIAVKHCRARRF-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613716 1067277958 /nfs/dbraw/zinc/27/79/58/1067277958.db2.gz GUOIAVKHCRARRF-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001570667273 1068060319 /nfs/dbraw/zinc/06/03/19/1068060319.db2.gz BMFXDQYCHFKKEA-ABHNRTSZSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001570796078 1068119958 /nfs/dbraw/zinc/11/99/58/1068119958.db2.gz CVSOECGRQFKDTA-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503712 1068362596 /nfs/dbraw/zinc/36/25/96/1068362596.db2.gz UXFUKRSIHRYVHQ-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503712 1068362603 /nfs/dbraw/zinc/36/26/03/1068362603.db2.gz UXFUKRSIHRYVHQ-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503712 1068362614 /nfs/dbraw/zinc/36/26/14/1068362614.db2.gz UXFUKRSIHRYVHQ-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001571504864 1068363329 /nfs/dbraw/zinc/36/33/29/1068363329.db2.gz JQIWSPCWVNVWLP-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001571504864 1068363340 /nfs/dbraw/zinc/36/33/40/1068363340.db2.gz JQIWSPCWVNVWLP-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001571504864 1068363353 /nfs/dbraw/zinc/36/33/53/1068363353.db2.gz JQIWSPCWVNVWLP-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267267891 1078714751 /nfs/dbraw/zinc/71/47/51/1078714751.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267267891 1078714754 /nfs/dbraw/zinc/71/47/54/1078714754.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267267891 1078714757 /nfs/dbraw/zinc/71/47/57/1078714757.db2.gz TULGPYXNTGDKDZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001571644386 1068456457 /nfs/dbraw/zinc/45/64/57/1068456457.db2.gz OQLFRFMOGGKUFU-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267282119 1078728560 /nfs/dbraw/zinc/72/85/60/1078728560.db2.gz ATMDFPLKQAGIIU-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001267282119 1078728566 /nfs/dbraw/zinc/72/85/66/1078728566.db2.gz ATMDFPLKQAGIIU-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282119 1078728573 /nfs/dbraw/zinc/72/85/73/1078728573.db2.gz ATMDFPLKQAGIIU-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282119 1078728585 /nfs/dbraw/zinc/72/85/85/1078728585.db2.gz ATMDFPLKQAGIIU-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267282210 1078728626 /nfs/dbraw/zinc/72/86/26/1078728626.db2.gz BUBGFRDZTIATCP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267317800 1078761154 /nfs/dbraw/zinc/76/11/54/1078761154.db2.gz ANQGTEWMLLYOEN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267317800 1078761158 /nfs/dbraw/zinc/76/11/58/1078761158.db2.gz ANQGTEWMLLYOEN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267317800 1078761161 /nfs/dbraw/zinc/76/11/61/1078761161.db2.gz ANQGTEWMLLYOEN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267466863 1078880286 /nfs/dbraw/zinc/88/02/86/1078880286.db2.gz SEZISVNFBJYENC-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267466863 1078880292 /nfs/dbraw/zinc/88/02/92/1078880292.db2.gz SEZISVNFBJYENC-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267466863 1078880295 /nfs/dbraw/zinc/88/02/95/1078880295.db2.gz SEZISVNFBJYENC-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267537417 1078967752 /nfs/dbraw/zinc/96/77/52/1078967752.db2.gz IPTAWRVWVOKESN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267537417 1078967755 /nfs/dbraw/zinc/96/77/55/1078967755.db2.gz IPTAWRVWVOKESN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267537417 1078967762 /nfs/dbraw/zinc/96/77/62/1078967762.db2.gz IPTAWRVWVOKESN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267596703 1079114577 /nfs/dbraw/zinc/11/45/77/1079114577.db2.gz OZUPWXNHCORTJN-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001649462377 1079130082 /nfs/dbraw/zinc/13/00/82/1079130082.db2.gz VSXYGWMVQUAMTL-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001483817519 1079131818 /nfs/dbraw/zinc/13/18/18/1079131818.db2.gz PDRFLXGMOXKCNK-INIZCTEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011946 1079240814 /nfs/dbraw/zinc/24/08/14/1079240814.db2.gz NPDSHGQEXXMFAT-SJORKVTESA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484107178 1079306771 /nfs/dbraw/zinc/30/67/71/1079306771.db2.gz JEUORDAWGIUVSF-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267681421 1079371389 /nfs/dbraw/zinc/37/13/89/1079371389.db2.gz MPHTYRYIMFFNSA-NVXWUHKLSA-N 2 1 309.498 2.345 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942636 1075208876 /nfs/dbraw/zinc/20/88/76/1075208876.db2.gz CNIXXPSYSJPEIM-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001566076316 1075225470 /nfs/dbraw/zinc/22/54/70/1075225470.db2.gz VTHARJOSYWAHIE-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566841859 1075358288 /nfs/dbraw/zinc/35/82/88/1075358288.db2.gz IJZTWRONWMDSMF-NCOADZHNSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707591 1079393502 /nfs/dbraw/zinc/39/35/02/1079393502.db2.gz BNYOLZVKBMNZCP-KRWDZBQOSA-N 2 1 315.461 2.328 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001566854941 1075362926 /nfs/dbraw/zinc/36/29/26/1075362926.db2.gz UAQPLBMYEGXMAR-YYIAUSFCSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566875514 1075370775 /nfs/dbraw/zinc/37/07/75/1075370775.db2.gz WFLPHWKBBBKPAO-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001267710831 1079398133 /nfs/dbraw/zinc/39/81/33/1079398133.db2.gz ANPUXGLRCRNATF-QAETUUGQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267710831 1079398136 /nfs/dbraw/zinc/39/81/36/1079398136.db2.gz ANPUXGLRCRNATF-QAETUUGQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267710831 1079398145 /nfs/dbraw/zinc/39/81/45/1079398145.db2.gz ANPUXGLRCRNATF-QAETUUGQSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001566972836 1075404179 /nfs/dbraw/zinc/40/41/79/1075404179.db2.gz NHUXMSYWIUWUMM-IECFSIQFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054172 1075423853 /nfs/dbraw/zinc/42/38/53/1075423853.db2.gz LSCWLGBVDUQVJO-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001567055585 1075424739 /nfs/dbraw/zinc/42/47/39/1075424739.db2.gz AWSTYWFWAQCSOW-NXHRZFHOSA-N 2 1 315.461 2.002 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567195664 1075460563 /nfs/dbraw/zinc/46/05/63/1075460563.db2.gz BDHNVMHUCZZCEC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567195664 1075460566 /nfs/dbraw/zinc/46/05/66/1075460566.db2.gz BDHNVMHUCZZCEC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567195664 1075460569 /nfs/dbraw/zinc/46/05/69/1075460569.db2.gz BDHNVMHUCZZCEC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001567231017 1075468588 /nfs/dbraw/zinc/46/85/88/1075468588.db2.gz XLUSHRXRPLENDQ-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267758995 1079460859 /nfs/dbraw/zinc/46/08/59/1079460859.db2.gz VAEOXJSYUOQWEW-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001267841326 1079530850 /nfs/dbraw/zinc/53/08/50/1079530850.db2.gz AOINTLVYJVFUSN-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001267874439 1079562587 /nfs/dbraw/zinc/56/25/87/1079562587.db2.gz UIMGBFIXNXWWMV-WMZOPIPTSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267919103 1079601691 /nfs/dbraw/zinc/60/16/91/1079601691.db2.gz PAAGJQYHIHNNPM-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267924294 1079606882 /nfs/dbraw/zinc/60/68/82/1079606882.db2.gz HTCFUPBJYCHJLO-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H](C)C1 ZINC001671250909 1079639412 /nfs/dbraw/zinc/63/94/12/1079639412.db2.gz GBLHJKAUGKTUPQ-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001484555484 1079661423 /nfs/dbraw/zinc/66/14/23/1079661423.db2.gz OEBPKSUCDOELRY-KRWDZBQOSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001484555484 1079661427 /nfs/dbraw/zinc/66/14/27/1079661427.db2.gz OEBPKSUCDOELRY-KRWDZBQOSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001484555484 1079661431 /nfs/dbraw/zinc/66/14/31/1079661431.db2.gz OEBPKSUCDOELRY-KRWDZBQOSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001484563606 1079662353 /nfs/dbraw/zinc/66/23/53/1079662353.db2.gz QZSUWWLLVINEEQ-YOEHRIQHSA-N 2 1 301.434 2.091 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001484573320 1079666558 /nfs/dbraw/zinc/66/65/58/1079666558.db2.gz MNKSRKXAKAXQAR-WKILWMFISA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335266 1079730148 /nfs/dbraw/zinc/73/01/48/1079730148.db2.gz SZDGSGXYNMLGIK-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485031563 1079923680 /nfs/dbraw/zinc/92/36/80/1079923680.db2.gz AJBTXUSRZDONBM-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001481487528 1079944762 /nfs/dbraw/zinc/94/47/62/1079944762.db2.gz DQQQLEUQGGGOJE-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001481487528 1079944766 /nfs/dbraw/zinc/94/47/66/1079944766.db2.gz DQQQLEUQGGGOJE-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001481487528 1079944770 /nfs/dbraw/zinc/94/47/70/1079944770.db2.gz DQQQLEUQGGGOJE-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001656881844 1080132719 /nfs/dbraw/zinc/13/27/19/1080132719.db2.gz QLTGEEKJCAEMBX-LJQANCHMSA-N 2 1 300.446 2.057 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044112 1080149523 /nfs/dbraw/zinc/14/95/23/1080149523.db2.gz OKUFANYOOZZPIE-FGTMMUONSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001268181453 1080171225 /nfs/dbraw/zinc/17/12/25/1080171225.db2.gz XSQHEQUGONSINH-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001658524432 1080210025 /nfs/dbraw/zinc/21/00/25/1080210025.db2.gz WGIMBQPNVJIQQB-UHOSZYNNSA-N 2 1 300.446 2.403 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001658524432 1080210031 /nfs/dbraw/zinc/21/00/31/1080210031.db2.gz WGIMBQPNVJIQQB-UHOSZYNNSA-N 2 1 300.446 2.403 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001658778261 1080217819 /nfs/dbraw/zinc/21/78/19/1080217819.db2.gz UUQKHGOPTQDWIG-YTQUADARSA-N 2 1 312.461 2.466 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001268265558 1080245394 /nfs/dbraw/zinc/24/53/94/1080245394.db2.gz ABEKTIGFFKGWJA-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481702135 1080321214 /nfs/dbraw/zinc/32/12/14/1080321214.db2.gz FZXXWWBUIOILBB-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001660553796 1080356453 /nfs/dbraw/zinc/35/64/53/1080356453.db2.gz PWUAOLFXDDCLED-UHFFFAOYSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001485666462 1080356472 /nfs/dbraw/zinc/35/64/72/1080356472.db2.gz MXZXOGIDKGKPQY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001485666462 1080356482 /nfs/dbraw/zinc/35/64/82/1080356482.db2.gz MXZXOGIDKGKPQY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001485666462 1080356489 /nfs/dbraw/zinc/35/64/89/1080356489.db2.gz MXZXOGIDKGKPQY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268373712 1080385370 /nfs/dbraw/zinc/38/53/70/1080385370.db2.gz RKKYHOQRACPCKU-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485762605 1080420875 /nfs/dbraw/zinc/42/08/75/1080420875.db2.gz DOMZIWFSIDROGM-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481747088 1080429651 /nfs/dbraw/zinc/42/96/51/1080429651.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481747088 1080429662 /nfs/dbraw/zinc/42/96/62/1080429662.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747088 1080429665 /nfs/dbraw/zinc/42/96/65/1080429665.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747088 1080429672 /nfs/dbraw/zinc/42/96/72/1080429672.db2.gz LSKWWSVPAPAXON-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782893 1080501588 /nfs/dbraw/zinc/50/15/88/1080501588.db2.gz SZAAVAUUBUXIBD-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)Cc2cnc[nH]2)CC1 ZINC001482048409 1080744020 /nfs/dbraw/zinc/74/40/20/1080744020.db2.gz PYLHNXXSWWODPQ-UHFFFAOYSA-N 2 1 304.438 2.137 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482051674 1080752622 /nfs/dbraw/zinc/75/26/22/1080752622.db2.gz KQWAEUKMBXZSJW-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001663727972 1080809649 /nfs/dbraw/zinc/80/96/49/1080809649.db2.gz VLQQSLVFRXEQLY-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001663727972 1080809653 /nfs/dbraw/zinc/80/96/53/1080809653.db2.gz VLQQSLVFRXEQLY-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001663727972 1080809656 /nfs/dbraw/zinc/80/96/56/1080809656.db2.gz VLQQSLVFRXEQLY-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001665686279 1081062562 /nfs/dbraw/zinc/06/25/62/1081062562.db2.gz GWEFTCYSUREYMN-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097283 1081114769 /nfs/dbraw/zinc/11/47/69/1081114769.db2.gz YSHPDURFKUFEHU-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001269254643 1081185116 /nfs/dbraw/zinc/18/51/16/1081185116.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001269254643 1081185122 /nfs/dbraw/zinc/18/51/22/1081185122.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001269254643 1081185126 /nfs/dbraw/zinc/18/51/26/1081185126.db2.gz CWXKENOJPACXRX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667489349 1081257743 /nfs/dbraw/zinc/25/77/43/1081257743.db2.gz UOJPVRIGMUSWHT-RDJZCZTQSA-N 2 1 318.465 2.060 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001667647959 1081270091 /nfs/dbraw/zinc/27/00/91/1081270091.db2.gz OYDZTBIYCZDWGT-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001667647959 1081270099 /nfs/dbraw/zinc/27/00/99/1081270099.db2.gz OYDZTBIYCZDWGT-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001667647959 1081270106 /nfs/dbraw/zinc/27/01/06/1081270106.db2.gz OYDZTBIYCZDWGT-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001269616509 1081308507 /nfs/dbraw/zinc/30/85/07/1081308507.db2.gz NJFJTFLCJWPWAD-UHFFFAOYSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269617013 1081309476 /nfs/dbraw/zinc/30/94/76/1081309476.db2.gz WPGCEUPZJOVHMM-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269617012 1081309747 /nfs/dbraw/zinc/30/97/47/1081309747.db2.gz WPGCEUPZJOVHMM-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001269622044 1081312186 /nfs/dbraw/zinc/31/21/86/1081312186.db2.gz ZROANNCMQPMFEL-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001269622044 1081312191 /nfs/dbraw/zinc/31/21/91/1081312191.db2.gz ZROANNCMQPMFEL-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001269622044 1081312196 /nfs/dbraw/zinc/31/21/96/1081312196.db2.gz ZROANNCMQPMFEL-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001270211016 1081475916 /nfs/dbraw/zinc/47/59/16/1081475916.db2.gz JNNMWOAIDYXHRI-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482283071 1081510084 /nfs/dbraw/zinc/51/00/84/1081510084.db2.gz CDOPKQOIIAWEAU-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001671542789 1081522834 /nfs/dbraw/zinc/52/28/34/1081522834.db2.gz XBCYQOMQCNFNTD-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001671570527 1081523945 /nfs/dbraw/zinc/52/39/45/1081523945.db2.gz WPCJVIUTQJNMIX-MRXNPFEDSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671748356 1081536339 /nfs/dbraw/zinc/53/63/39/1081536339.db2.gz SWNIUPAPHCMXSC-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001671900590 1081547393 /nfs/dbraw/zinc/54/73/93/1081547393.db2.gz CTKBDJGKFABZRO-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001672938253 1081724342 /nfs/dbraw/zinc/72/43/42/1081724342.db2.gz RKLPRUMWPZTYFW-YJBOKZPZSA-N 2 1 313.445 2.071 20 30 DEEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001672938252 1081724698 /nfs/dbraw/zinc/72/46/98/1081724698.db2.gz RKLPRUMWPZTYFW-QAPCUYQASA-N 2 1 313.445 2.071 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001111408443 1081820094 /nfs/dbraw/zinc/82/00/94/1081820094.db2.gz YYQAECYQXCILFV-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408443 1081820100 /nfs/dbraw/zinc/82/01/00/1081820100.db2.gz YYQAECYQXCILFV-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408443 1081820106 /nfs/dbraw/zinc/82/01/06/1081820106.db2.gz YYQAECYQXCILFV-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505506 1081884072 /nfs/dbraw/zinc/88/40/72/1081884072.db2.gz OLEAHAATSHSXIC-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001271287144 1082005323 /nfs/dbraw/zinc/00/53/23/1082005323.db2.gz ZAZPXNNXOSUMDO-MSOLQXFVSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271646712 1082099167 /nfs/dbraw/zinc/09/91/67/1082099167.db2.gz YPTSCSMGNRQVDA-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001271764264 1082147880 /nfs/dbraw/zinc/14/78/80/1082147880.db2.gz JFNLIVYBYQYUGF-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001266599937 1082185917 /nfs/dbraw/zinc/18/59/17/1082185917.db2.gz CPWSWPQOQMPGRJ-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001266599937 1082185921 /nfs/dbraw/zinc/18/59/21/1082185921.db2.gz CPWSWPQOQMPGRJ-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001266599937 1082185923 /nfs/dbraw/zinc/18/59/23/1082185923.db2.gz CPWSWPQOQMPGRJ-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001670729559 1082275872 /nfs/dbraw/zinc/27/58/72/1082275872.db2.gz LFBCJTYSUWENKK-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001670729559 1082275877 /nfs/dbraw/zinc/27/58/77/1082275877.db2.gz LFBCJTYSUWENKK-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001670729559 1082275882 /nfs/dbraw/zinc/27/58/82/1082275882.db2.gz LFBCJTYSUWENKK-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001670729559 1082275886 /nfs/dbraw/zinc/27/58/86/1082275886.db2.gz LFBCJTYSUWENKK-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001272021208 1082286921 /nfs/dbraw/zinc/28/69/21/1082286921.db2.gz XFZVISZXSGRGGQ-OAHLLOKOSA-N 2 1 306.454 2.363 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001272021208 1082286926 /nfs/dbraw/zinc/28/69/26/1082286926.db2.gz XFZVISZXSGRGGQ-OAHLLOKOSA-N 2 1 306.454 2.363 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001266872685 1082421651 /nfs/dbraw/zinc/42/16/51/1082421651.db2.gz NEZTUBVQLRJARV-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001266878043 1082424444 /nfs/dbraw/zinc/42/44/44/1082424444.db2.gz PDJIGKNHDQNTQY-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661962 1082441067 /nfs/dbraw/zinc/44/10/67/1082441067.db2.gz IEBNBCSMCSWSET-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107538162 1083469363 /nfs/dbraw/zinc/46/93/63/1083469363.db2.gz JCBDCCBOCGMROI-JFIYKMOQSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841766 1083641902 /nfs/dbraw/zinc/64/19/02/1083641902.db2.gz YFTDZVKESXMMRU-GVDBMIGSSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841766 1083641907 /nfs/dbraw/zinc/64/19/07/1083641907.db2.gz YFTDZVKESXMMRU-GVDBMIGSSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841766 1083641910 /nfs/dbraw/zinc/64/19/10/1083641910.db2.gz YFTDZVKESXMMRU-GVDBMIGSSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001276887109 1083665358 /nfs/dbraw/zinc/66/53/58/1083665358.db2.gz UKUDTHKSWSRXRX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001276887109 1083665367 /nfs/dbraw/zinc/66/53/67/1083665367.db2.gz UKUDTHKSWSRXRX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001272762615 1083957689 /nfs/dbraw/zinc/95/76/89/1083957689.db2.gz BCARNWVPWSCTAQ-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281836 1084205318 /nfs/dbraw/zinc/20/53/18/1084205318.db2.gz LQKPKNNTKAFTEL-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001491338224 1084242129 /nfs/dbraw/zinc/24/21/29/1084242129.db2.gz RNDIEIGXZYXVRK-SFFUCWETSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001491338224 1084242141 /nfs/dbraw/zinc/24/21/41/1084242141.db2.gz RNDIEIGXZYXVRK-SFFUCWETSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001491338224 1084242150 /nfs/dbraw/zinc/24/21/50/1084242150.db2.gz RNDIEIGXZYXVRK-SFFUCWETSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235340328 1084399315 /nfs/dbraw/zinc/39/93/15/1084399315.db2.gz ZKMVBFSBRXERRW-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235340328 1084399324 /nfs/dbraw/zinc/39/93/24/1084399324.db2.gz ZKMVBFSBRXERRW-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235340328 1084399333 /nfs/dbraw/zinc/39/93/33/1084399333.db2.gz ZKMVBFSBRXERRW-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP COCCOC[N@H+]1CCCC2(CC[NH+](CCCCC#N)CC2)C1 ZINC001277948858 1084445133 /nfs/dbraw/zinc/44/51/33/1084445133.db2.gz OMKKQPKGFKLVOE-UHFFFAOYSA-N 2 1 323.481 2.479 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739027 1084852965 /nfs/dbraw/zinc/85/29/65/1084852965.db2.gz KQSWQMGFPNQTBB-CABCVRRESA-N 2 1 316.449 2.210 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCCC)C(C)(C)C ZINC001486401674 1085287639 /nfs/dbraw/zinc/28/76/39/1085287639.db2.gz ZHIWZKXLEUAXEA-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCCC)C(C)(C)C ZINC001486401674 1085287649 /nfs/dbraw/zinc/28/76/49/1085287649.db2.gz ZHIWZKXLEUAXEA-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350491 1085701009 /nfs/dbraw/zinc/70/10/09/1085701009.db2.gz XJNAFPAPLVDGFV-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961350491 1085701014 /nfs/dbraw/zinc/70/10/14/1085701014.db2.gz XJNAFPAPLVDGFV-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961350491 1085701020 /nfs/dbraw/zinc/70/10/20/1085701020.db2.gz XJNAFPAPLVDGFV-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000963564132 1086499376 /nfs/dbraw/zinc/49/93/76/1086499376.db2.gz OXGZKIQMVJHBGW-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273145112 1086867834 /nfs/dbraw/zinc/86/78/34/1086867834.db2.gz UUPOKHNUBQCFIR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145112 1086867838 /nfs/dbraw/zinc/86/78/38/1086867838.db2.gz UUPOKHNUBQCFIR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145112 1086867847 /nfs/dbraw/zinc/86/78/47/1086867847.db2.gz UUPOKHNUBQCFIR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751303 1088405083 /nfs/dbraw/zinc/40/50/83/1088405083.db2.gz XSGBDZMWUSIMPD-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633747 1088480533 /nfs/dbraw/zinc/48/05/33/1088480533.db2.gz MXSVYVUTIPESFU-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644956 1088492180 /nfs/dbraw/zinc/49/21/80/1088492180.db2.gz PTROZDAYLMWUMH-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114838195 1088989339 /nfs/dbraw/zinc/98/93/39/1088989339.db2.gz SPRDPVZGJSKGNG-LISAXSMJSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114838195 1088989362 /nfs/dbraw/zinc/98/93/62/1088989362.db2.gz SPRDPVZGJSKGNG-LISAXSMJSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114838195 1088989379 /nfs/dbraw/zinc/98/93/79/1088989379.db2.gz SPRDPVZGJSKGNG-LISAXSMJSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115545120 1089067764 /nfs/dbraw/zinc/06/77/64/1089067764.db2.gz RUILSXBMUFMURI-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544029 1090003469 /nfs/dbraw/zinc/00/34/69/1090003469.db2.gz DZRAGBYKEXDYHC-YUELXQCFSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389173 1090286208 /nfs/dbraw/zinc/28/62/08/1090286208.db2.gz VUYLFJBOPSGTDT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389173 1090286212 /nfs/dbraw/zinc/28/62/12/1090286212.db2.gz VUYLFJBOPSGTDT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389173 1090286216 /nfs/dbraw/zinc/28/62/16/1090286216.db2.gz VUYLFJBOPSGTDT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001274344920 1091195300 /nfs/dbraw/zinc/19/53/00/1091195300.db2.gz IJWKRXJXXFVENB-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001493032698 1091244720 /nfs/dbraw/zinc/24/47/20/1091244720.db2.gz FPVVKKXGVOBAIY-UHFFFAOYSA-N 2 1 303.450 2.376 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001276244317 1091733637 /nfs/dbraw/zinc/73/36/37/1091733637.db2.gz OFLAJJOYDBNNCY-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001273572196 1091929314 /nfs/dbraw/zinc/92/93/14/1091929314.db2.gz VUBVTSSXTAJMQR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001273572196 1091929317 /nfs/dbraw/zinc/92/93/17/1091929317.db2.gz VUBVTSSXTAJMQR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001273572196 1091929332 /nfs/dbraw/zinc/92/93/32/1091929332.db2.gz VUBVTSSXTAJMQR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001275681467 1091996018 /nfs/dbraw/zinc/99/60/18/1091996018.db2.gz SLFAUPZHTJDNDP-HNNXBMFYSA-N 2 1 303.450 2.374 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001488699178 1092688185 /nfs/dbraw/zinc/68/81/85/1092688185.db2.gz OEPOIDNRIPXLKI-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001488699172 1092688457 /nfs/dbraw/zinc/68/84/57/1092688457.db2.gz OEPOIDNRIPXLKI-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001489327787 1093021342 /nfs/dbraw/zinc/02/13/42/1093021342.db2.gz HYVMHSBCESIYAM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001490553666 1093415345 /nfs/dbraw/zinc/41/53/45/1093415345.db2.gz YALXPQMBCBHUEE-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278168613 1138812696 /nfs/dbraw/zinc/81/26/96/1138812696.db2.gz FCEMHSIXCDEXFE-SJLPKXTDSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318415025 1140321595 /nfs/dbraw/zinc/32/15/95/1140321595.db2.gz HPBFXGVAMPAYDL-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318483664 1140346555 /nfs/dbraw/zinc/34/65/55/1140346555.db2.gz GPGUFQVRBQJNKB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318483664 1140346561 /nfs/dbraw/zinc/34/65/61/1140346561.db2.gz GPGUFQVRBQJNKB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318483664 1140346564 /nfs/dbraw/zinc/34/65/64/1140346564.db2.gz GPGUFQVRBQJNKB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001318527997 1140360502 /nfs/dbraw/zinc/36/05/02/1140360502.db2.gz HASPSFCWNZGCKK-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001318652964 1140380761 /nfs/dbraw/zinc/38/07/61/1140380761.db2.gz MOWKCEMFVORRCY-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001320181784 1140835184 /nfs/dbraw/zinc/83/51/84/1140835184.db2.gz DEZORZQLNXEMGN-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP CCCCCCCC[C@@H](O)C[NH2+]CCCC[NH+]1CCNCC1 ZINC001245973938 1140839660 /nfs/dbraw/zinc/83/96/60/1140839660.db2.gz LRHNIRVOAZSSMT-GOSISDBHSA-N 2 1 313.530 2.373 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438817 1140878465 /nfs/dbraw/zinc/87/84/65/1140878465.db2.gz XRAXVTPZBYTNII-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(OCC=C)CC1 ZINC001246306542 1140883017 /nfs/dbraw/zinc/88/30/17/1140883017.db2.gz WWUBGEGDOWDJSI-JCYILVPMSA-N 2 1 324.465 2.317 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001278460350 1141026328 /nfs/dbraw/zinc/02/63/28/1141026328.db2.gz RGWOMFZYWBXEDJ-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709186 1141041272 /nfs/dbraw/zinc/04/12/72/1141041272.db2.gz SIQNPVWSSXOJRL-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001278495856 1141647323 /nfs/dbraw/zinc/64/73/23/1141647323.db2.gz WLOCNCWWNXEDAQ-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001322843624 1141738815 /nfs/dbraw/zinc/73/88/15/1141738815.db2.gz DRBNVLISQUONJE-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721436 1141880074 /nfs/dbraw/zinc/88/00/74/1141880074.db2.gz HRPDBONALXLNAA-SFHVURJKSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001324264900 1142043390 /nfs/dbraw/zinc/04/33/90/1142043390.db2.gz ZGSDIFHREJNXCO-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278613957 1142347855 /nfs/dbraw/zinc/34/78/55/1142347855.db2.gz QIISDHQTDZCMRE-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252483203 1142731379 /nfs/dbraw/zinc/73/13/79/1142731379.db2.gz RLVWGWOJPQRXNW-OALUTQOASA-N 2 1 318.461 2.052 20 30 DEEDMP N#CCC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252929372 1142831448 /nfs/dbraw/zinc/83/14/48/1142831448.db2.gz FDNIIIARYRYPNC-LJQANCHMSA-N 2 1 313.445 2.249 20 30 DEEDMP N#CCC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252929372 1142831451 /nfs/dbraw/zinc/83/14/51/1142831451.db2.gz FDNIIIARYRYPNC-LJQANCHMSA-N 2 1 313.445 2.249 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690357 1142835920 /nfs/dbraw/zinc/83/59/20/1142835920.db2.gz PSENXSLURHWZTK-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001253192598 1142851677 /nfs/dbraw/zinc/85/16/77/1142851677.db2.gz ULYBWWHPEMUNEF-FQEVSTJZSA-N 2 1 314.473 2.453 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520271 1143181942 /nfs/dbraw/zinc/18/19/42/1143181942.db2.gz XAPMUHYWLHWWKT-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[C@@]1(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CCC[NH2+]1 ZINC001341993485 1143763423 /nfs/dbraw/zinc/76/34/23/1143763423.db2.gz UBCNMTUJKFNZKD-OTWHNJEPSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627135 1143858306 /nfs/dbraw/zinc/85/83/06/1143858306.db2.gz ZSGYRZKXJBLRGB-YZYRWKSTSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627135 1143858307 /nfs/dbraw/zinc/85/83/07/1143858307.db2.gz ZSGYRZKXJBLRGB-YZYRWKSTSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627135 1143858308 /nfs/dbraw/zinc/85/83/08/1143858308.db2.gz ZSGYRZKXJBLRGB-YZYRWKSTSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC001263106638 1144356502 /nfs/dbraw/zinc/35/65/02/1144356502.db2.gz BGSPKICUSRWQRS-HZPDHXFCSA-N 2 1 321.852 2.497 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001263863489 1144415790 /nfs/dbraw/zinc/41/57/90/1144415790.db2.gz TZSZJGBRBZZSHS-KKUMJFAQSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H]1CC ZINC001264069225 1144453466 /nfs/dbraw/zinc/45/34/66/1144453466.db2.gz WQRQRDXWFRZLRI-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H]1CC ZINC001264069225 1144453479 /nfs/dbraw/zinc/45/34/79/1144453479.db2.gz WQRQRDXWFRZLRI-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H]1CC ZINC001264069225 1144453490 /nfs/dbraw/zinc/45/34/90/1144453490.db2.gz WQRQRDXWFRZLRI-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001264657244 1144586677 /nfs/dbraw/zinc/58/66/77/1144586677.db2.gz SDLWSBUQVWTIEN-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001264739211 1144603125 /nfs/dbraw/zinc/60/31/25/1144603125.db2.gz SQHIXLNGSPZLSR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001264739211 1144603126 /nfs/dbraw/zinc/60/31/26/1144603126.db2.gz SQHIXLNGSPZLSR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001264739211 1144603127 /nfs/dbraw/zinc/60/31/27/1144603127.db2.gz SQHIXLNGSPZLSR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001265333728 1144695155 /nfs/dbraw/zinc/69/51/55/1144695155.db2.gz CIFWVQACFJUGPI-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265446754 1144704687 /nfs/dbraw/zinc/70/46/87/1144704687.db2.gz PSOFTDORFCVUNI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265656107 1144723520 /nfs/dbraw/zinc/72/35/20/1144723520.db2.gz WKPHSAOHMDBCCR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656107 1144723522 /nfs/dbraw/zinc/72/35/22/1144723522.db2.gz WKPHSAOHMDBCCR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656107 1144723525 /nfs/dbraw/zinc/72/35/25/1144723525.db2.gz WKPHSAOHMDBCCR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265940277 1144764275 /nfs/dbraw/zinc/76/42/75/1144764275.db2.gz REENOCWKXQBWAH-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1c[nH+]cc1C)C2 ZINC001279222419 1144819479 /nfs/dbraw/zinc/81/94/79/1144819479.db2.gz RWLSUKOHBRWYDP-BJWYYQGGSA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1c[nH+]cc1C)C2 ZINC001279222419 1144819480 /nfs/dbraw/zinc/81/94/80/1144819480.db2.gz RWLSUKOHBRWYDP-BJWYYQGGSA-N 2 1 316.449 2.127 20 30 DEEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001279589764 1144825226 /nfs/dbraw/zinc/82/52/26/1144825226.db2.gz ZMLOBEWOKXXUMK-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589764 1144825228 /nfs/dbraw/zinc/82/52/28/1144825228.db2.gz ZMLOBEWOKXXUMK-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589764 1144825229 /nfs/dbraw/zinc/82/52/29/1144825229.db2.gz ZMLOBEWOKXXUMK-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001281499748 1144893527 /nfs/dbraw/zinc/89/35/27/1144893527.db2.gz GPGKBEVUTQNUHY-HUUCEWRRSA-N 2 1 316.449 2.450 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001281839880 1144916112 /nfs/dbraw/zinc/91/61/12/1144916112.db2.gz GSEJHOFZRGWLKN-GOSISDBHSA-N 2 1 321.509 2.156 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001281931970 1144920670 /nfs/dbraw/zinc/92/06/70/1144920670.db2.gz HEZYXBVAWFGNBY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001281931970 1144920673 /nfs/dbraw/zinc/92/06/73/1144920673.db2.gz HEZYXBVAWFGNBY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001281931970 1144920675 /nfs/dbraw/zinc/92/06/75/1144920675.db2.gz HEZYXBVAWFGNBY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001283913598 1145706618 /nfs/dbraw/zinc/70/66/18/1145706618.db2.gz OORXGGIMSRVADU-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001292 1145745007 /nfs/dbraw/zinc/74/50/07/1145745007.db2.gz PVGVKKZSQGVFCM-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001316633779 1145880847 /nfs/dbraw/zinc/88/08/47/1145880847.db2.gz RTRXZMUSTMXTBQ-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001366333572 1147219967 /nfs/dbraw/zinc/21/99/67/1147219967.db2.gz KNVJHCPTHLMRBL-DOMZBBRYSA-N 2 1 319.852 2.046 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001316807428 1147581707 /nfs/dbraw/zinc/58/17/07/1147581707.db2.gz WPYDEZOIXZUMEP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316948002 1147637448 /nfs/dbraw/zinc/63/74/48/1147637448.db2.gz QJMQWYZNWYYIRG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316948002 1147637451 /nfs/dbraw/zinc/63/74/51/1147637451.db2.gz QJMQWYZNWYYIRG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001316948002 1147637453 /nfs/dbraw/zinc/63/74/53/1147637453.db2.gz QJMQWYZNWYYIRG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316995267 1147646061 /nfs/dbraw/zinc/64/60/61/1147646061.db2.gz OOANATNAGKNFRS-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317047067 1147653099 /nfs/dbraw/zinc/65/30/99/1147653099.db2.gz GROWYRLRDJJTOR-IGKNDFSCSA-N 2 1 319.493 2.357 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317047067 1147653100 /nfs/dbraw/zinc/65/31/00/1147653100.db2.gz GROWYRLRDJJTOR-IGKNDFSCSA-N 2 1 319.493 2.357 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317382706 1147700270 /nfs/dbraw/zinc/70/02/70/1147700270.db2.gz UJHPNIIVJABWAD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317382706 1147700272 /nfs/dbraw/zinc/70/02/72/1147700272.db2.gz UJHPNIIVJABWAD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317382706 1147700273 /nfs/dbraw/zinc/70/02/73/1147700273.db2.gz UJHPNIIVJABWAD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001326383175 1148089622 /nfs/dbraw/zinc/08/96/22/1148089622.db2.gz PXUVNZRSEZWYAG-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001421828719 1172022973 /nfs/dbraw/zinc/02/29/73/1172022973.db2.gz PEBWVRMSQPADPF-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001421828719 1172022981 /nfs/dbraw/zinc/02/29/81/1172022981.db2.gz PEBWVRMSQPADPF-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001421828719 1172022985 /nfs/dbraw/zinc/02/29/85/1172022985.db2.gz PEBWVRMSQPADPF-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP CCNC(NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)=[NH+]CC ZINC000066242373 354705582 /nfs/dbraw/zinc/70/55/82/354705582.db2.gz AJUPEHGJRSAQGQ-KRWDZBQOSA-N 2 1 318.465 2.407 20 30 DEEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC2CC2)C1 ZINC000066243172 354705601 /nfs/dbraw/zinc/70/56/01/354705601.db2.gz RYZRQBVNQFGBEU-CQSZACIVSA-N 2 1 300.450 2.485 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033525 355462571 /nfs/dbraw/zinc/46/25/71/355462571.db2.gz YWGADFHHKXBXFE-GDBMZVCRSA-N 2 1 316.449 2.146 20 30 DEEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180184325 356044375 /nfs/dbraw/zinc/04/43/75/356044375.db2.gz RKFJIWGSGASZAO-MRXNPFEDSA-N 2 1 323.444 2.390 20 30 DEEDMP C=CCC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000668551240 540686037 /nfs/dbraw/zinc/68/60/37/540686037.db2.gz IHCBZMYBPCWJCK-QGZVFWFLSA-N 2 1 308.466 2.345 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC000606371265 361000592 /nfs/dbraw/zinc/00/05/92/361000592.db2.gz FZSGXOJGHJRDME-IAGOWNOFSA-N 2 1 307.482 2.286 20 30 DEEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000271812525 209236422 /nfs/dbraw/zinc/23/64/22/209236422.db2.gz BBCMCMDZBXWWIX-OAHLLOKOSA-N 2 1 300.450 2.062 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862616 781966525 /nfs/dbraw/zinc/96/65/25/781966525.db2.gz JTGMYHWNZKXNEA-QAPCUYQASA-N 2 1 315.461 2.169 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319199 248261499 /nfs/dbraw/zinc/26/14/99/248261499.db2.gz KREGFQAPMGAWAR-KRWDZBQOSA-N 2 1 322.497 2.151 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327450055 1148557713 /nfs/dbraw/zinc/55/77/13/1148557713.db2.gz WFGVLCZVJIRYMB-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000078489079 401853103 /nfs/dbraw/zinc/85/31/03/401853103.db2.gz SDPVZVIDVCOXFJ-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP CCOc1cccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000135114396 401927264 /nfs/dbraw/zinc/92/72/64/401927264.db2.gz JXQBUNSAYRJHHL-INIZCTEOSA-N 2 1 318.465 2.016 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1C[C@H]1C ZINC000103911924 402194210 /nfs/dbraw/zinc/19/42/10/402194210.db2.gz NSGWWZGYTHWODS-RDBSUJKOSA-N 2 1 306.479 2.458 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158470817 402306647 /nfs/dbraw/zinc/30/66/47/402306647.db2.gz AVUVUPNYPYHIBM-WFASDCNBSA-N 2 1 308.495 2.450 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247939634 402578991 /nfs/dbraw/zinc/57/89/91/402578991.db2.gz CVPUBASYSCRNPF-BBWFWOEESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247939634 402578992 /nfs/dbraw/zinc/57/89/92/402578992.db2.gz CVPUBASYSCRNPF-BBWFWOEESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247939634 402578995 /nfs/dbraw/zinc/57/89/95/402578995.db2.gz CVPUBASYSCRNPF-BBWFWOEESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247939634 402578996 /nfs/dbraw/zinc/57/89/96/402578996.db2.gz CVPUBASYSCRNPF-BBWFWOEESA-N 2 1 307.482 2.216 20 30 DEEDMP COc1cccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)c1 ZINC000273334308 402995419 /nfs/dbraw/zinc/99/54/19/402995419.db2.gz KMUFZWMRNUDHLO-QGZVFWFLSA-N 2 1 316.449 2.241 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645537 403102468 /nfs/dbraw/zinc/10/24/68/403102468.db2.gz FKPIMCWYOVHUOO-HKUYNNGSSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645537 403102469 /nfs/dbraw/zinc/10/24/69/403102469.db2.gz FKPIMCWYOVHUOO-HKUYNNGSSA-N 2 1 313.445 2.399 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000295049386 403743105 /nfs/dbraw/zinc/74/31/05/403743105.db2.gz QDYNAWPEXGKSPU-CQSZACIVSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000295049386 403743111 /nfs/dbraw/zinc/74/31/11/403743111.db2.gz QDYNAWPEXGKSPU-CQSZACIVSA-N 2 1 305.397 2.088 20 30 DEEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351416 403922757 /nfs/dbraw/zinc/92/27/57/403922757.db2.gz GFEGZSNATUWUPY-INIZCTEOSA-N 2 1 302.466 2.435 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332448 404060488 /nfs/dbraw/zinc/06/04/88/404060488.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332448 404060494 /nfs/dbraw/zinc/06/04/94/404060494.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332448 404060502 /nfs/dbraw/zinc/06/05/02/404060502.db2.gz UTTQMZAMWUOWMD-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358797777 404776017 /nfs/dbraw/zinc/77/60/17/404776017.db2.gz XTXQLUZFVYDXRN-HOTGVXAUSA-N 2 1 322.497 2.199 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429683124 405443149 /nfs/dbraw/zinc/44/31/49/405443149.db2.gz PSYDENCOOPFJLZ-XWTMOSNGSA-N 2 1 304.482 2.169 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429683124 405443152 /nfs/dbraw/zinc/44/31/52/405443152.db2.gz PSYDENCOOPFJLZ-XWTMOSNGSA-N 2 1 304.482 2.169 20 30 DEEDMP C[C@@H]1CN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402746 405492213 /nfs/dbraw/zinc/49/22/13/405492213.db2.gz WQGXGJHZGMKHQT-CQSZACIVSA-N 2 1 305.397 2.288 20 30 DEEDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402746 405492220 /nfs/dbraw/zinc/49/22/20/405492220.db2.gz WQGXGJHZGMKHQT-CQSZACIVSA-N 2 1 305.397 2.288 20 30 DEEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402746 405492223 /nfs/dbraw/zinc/49/22/23/405492223.db2.gz WQGXGJHZGMKHQT-CQSZACIVSA-N 2 1 305.397 2.288 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000580184658 405602409 /nfs/dbraw/zinc/60/24/09/405602409.db2.gz NCCLFEBTAYADJJ-INIZCTEOSA-N 2 1 324.852 2.320 20 30 DEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000491765155 406707392 /nfs/dbraw/zinc/70/73/92/406707392.db2.gz BUDKVRQDOSTEND-MRXNPFEDSA-N 2 1 321.852 2.014 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000491765155 406707398 /nfs/dbraw/zinc/70/73/98/406707398.db2.gz BUDKVRQDOSTEND-MRXNPFEDSA-N 2 1 321.852 2.014 20 30 DEEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452263 407183176 /nfs/dbraw/zinc/18/31/76/407183176.db2.gz RFNULOBBSPJOIL-ROUUACIJSA-N 2 1 309.498 2.117 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680327 225281928 /nfs/dbraw/zinc/28/19/28/225281928.db2.gz VTJHDCQHYCIUJY-GMXABZIVSA-N 2 1 324.831 2.409 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479996995 1151315250 /nfs/dbraw/zinc/31/52/50/1151315250.db2.gz ZCXZOIIPEDQZAN-UHFFFAOYSA-N 2 1 307.482 2.053 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)N1 ZINC000261556222 341360410 /nfs/dbraw/zinc/36/04/10/341360410.db2.gz VSRMQJHQOZAURP-WBVHZDCISA-N 2 1 300.450 2.226 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1C#N ZINC000337267772 522745667 /nfs/dbraw/zinc/74/56/67/522745667.db2.gz JKJLRXLLJYOCOL-UHFFFAOYSA-N 2 1 314.433 2.305 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930301 1152494904 /nfs/dbraw/zinc/49/49/04/1152494904.db2.gz WJOGQRZEQUFGJD-ZFWWWQNUSA-N 2 1 315.889 2.297 20 30 DEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NCC1CCC1 ZINC000262984437 526414159 /nfs/dbraw/zinc/41/41/59/526414159.db2.gz UNCGGFREMHTLTH-UHFFFAOYSA-N 2 1 312.421 2.041 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358794904 526433642 /nfs/dbraw/zinc/43/36/42/526433642.db2.gz IZTYEHGQGOBCMA-HOTGVXAUSA-N 2 1 322.497 2.056 20 30 DEEDMP C=CCOc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000267454567 526930283 /nfs/dbraw/zinc/93/02/83/526930283.db2.gz SNEJEYZAVSGPOY-MRXNPFEDSA-N 2 1 316.449 2.140 20 30 DEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422903198 526950982 /nfs/dbraw/zinc/95/09/82/526950982.db2.gz FFFCUQRCCCNXCQ-RCCFBDPRSA-N 2 1 316.445 2.498 20 30 DEEDMP CCOCc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264127012 529034554 /nfs/dbraw/zinc/03/45/54/529034554.db2.gz WPZJRWCUIRMYLS-KRWDZBQOSA-N 2 1 318.465 2.112 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193301798 529073904 /nfs/dbraw/zinc/07/39/04/529073904.db2.gz UDTUKYVISGJCPE-OWCLPIDISA-N 2 1 304.413 2.070 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248213 529100191 /nfs/dbraw/zinc/10/01/91/529100191.db2.gz GNOKRFGDMSSFPC-AWEZNQCLSA-N 2 1 323.510 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCC1 ZINC001380859537 1152867271 /nfs/dbraw/zinc/86/72/71/1152867271.db2.gz PRGKSBAHUJKRCF-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C[C@H](C#N)OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310004435 625387519 /nfs/dbraw/zinc/38/75/19/625387519.db2.gz GXDMOJQLBHOGJO-NZSAHSFTSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310004435 625387521 /nfs/dbraw/zinc/38/75/21/625387521.db2.gz GXDMOJQLBHOGJO-NZSAHSFTSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310004435 625387522 /nfs/dbraw/zinc/38/75/22/625387522.db2.gz GXDMOJQLBHOGJO-NZSAHSFTSA-N 2 1 313.445 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467704 625461806 /nfs/dbraw/zinc/46/18/06/625461806.db2.gz CIXNRMFBLGKDIT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484801 625476592 /nfs/dbraw/zinc/47/65/92/625476592.db2.gz JNYUMRDGSFHKLW-GJZGRUSLSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610865 625558894 /nfs/dbraw/zinc/55/88/94/625558894.db2.gz WNRDEBNKZMCMKJ-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000970170298 623271133 /nfs/dbraw/zinc/27/11/33/623271133.db2.gz ZTJPWPGKIYZCII-CQSZACIVSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970926625 623796222 /nfs/dbraw/zinc/79/62/22/623796222.db2.gz ADKCYIQFQDYVFA-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681673 623951815 /nfs/dbraw/zinc/95/18/15/623951815.db2.gz IOHPJUUFHDBOCH-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372792 625241548 /nfs/dbraw/zinc/24/15/48/625241548.db2.gz XZQAUFMTXGJOHC-SJLPKXTDSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446816 625271465 /nfs/dbraw/zinc/27/14/65/625271465.db2.gz YQUFRWFQNUAGOD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446816 625271468 /nfs/dbraw/zinc/27/14/68/625271468.db2.gz YQUFRWFQNUAGOD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446816 625271471 /nfs/dbraw/zinc/27/14/71/625271471.db2.gz YQUFRWFQNUAGOD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024513905 625831160 /nfs/dbraw/zinc/83/11/60/625831160.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513905 625831161 /nfs/dbraw/zinc/83/11/61/625831161.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513905 625831162 /nfs/dbraw/zinc/83/11/62/625831162.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513905 625831163 /nfs/dbraw/zinc/83/11/63/625831163.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513905 625831164 /nfs/dbraw/zinc/83/11/64/625831164.db2.gz ULMXRHZWULUEIO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523374 625837873 /nfs/dbraw/zinc/83/78/73/625837873.db2.gz PVLDNGCUQHQYJP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523374 625837878 /nfs/dbraw/zinc/83/78/78/625837878.db2.gz PVLDNGCUQHQYJP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523374 625837881 /nfs/dbraw/zinc/83/78/81/625837881.db2.gz PVLDNGCUQHQYJP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999400886 634579556 /nfs/dbraw/zinc/57/95/56/634579556.db2.gz MKCNSQSZPMICST-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159451 634771176 /nfs/dbraw/zinc/77/11/76/634771176.db2.gz AJZRAXSNSUGFJF-NVXWUHKLSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771922 633296352 /nfs/dbraw/zinc/29/63/52/633296352.db2.gz ZOIMRDGUHLYKQI-INIZCTEOSA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996669533 633343758 /nfs/dbraw/zinc/34/37/58/633343758.db2.gz GVZZLMQXDYRTBR-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679812 633347520 /nfs/dbraw/zinc/34/75/20/633347520.db2.gz QVULBCAVHOQZDE-AWEZNQCLSA-N 2 1 322.840 2.094 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015972264 633551215 /nfs/dbraw/zinc/55/12/15/633551215.db2.gz IMNONKAADOKZCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015972264 633551218 /nfs/dbraw/zinc/55/12/18/633551218.db2.gz IMNONKAADOKZCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015972264 633551220 /nfs/dbraw/zinc/55/12/20/633551220.db2.gz IMNONKAADOKZCO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997083490 633568619 /nfs/dbraw/zinc/56/86/19/633568619.db2.gz KZUOTJVRURHDPE-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132543 633618308 /nfs/dbraw/zinc/61/83/08/633618308.db2.gz OHIPRHBISOGUIX-SJLPKXTDSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001009633080 633765719 /nfs/dbraw/zinc/76/57/19/633765719.db2.gz GGJUAMLBMDBBPG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009633080 633765724 /nfs/dbraw/zinc/76/57/24/633765724.db2.gz GGJUAMLBMDBBPG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009633080 633765725 /nfs/dbraw/zinc/76/57/25/633765725.db2.gz GGJUAMLBMDBBPG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977653294 634082778 /nfs/dbraw/zinc/08/27/78/634082778.db2.gz IIABYVNAMXTZDM-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601270 634259109 /nfs/dbraw/zinc/25/91/09/634259109.db2.gz WVMQFLKNOGPDTH-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601270 634259114 /nfs/dbraw/zinc/25/91/14/634259114.db2.gz WVMQFLKNOGPDTH-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886011 634874014 /nfs/dbraw/zinc/87/40/14/634874014.db2.gz MQKDOWWEURKZMB-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886011 634874018 /nfs/dbraw/zinc/87/40/18/634874018.db2.gz MQKDOWWEURKZMB-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027920363 634967255 /nfs/dbraw/zinc/96/72/55/634967255.db2.gz HYGWZTIPVJUREH-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000980475431 635015127 /nfs/dbraw/zinc/01/51/27/635015127.db2.gz FYSQOKKGJOLHLM-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001028130828 635677687 /nfs/dbraw/zinc/67/76/87/635677687.db2.gz WOWYTJCTRYKTCZ-LSDHHAIUSA-N 2 1 316.449 2.376 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958522 635764842 /nfs/dbraw/zinc/76/48/42/635764842.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958522 635764844 /nfs/dbraw/zinc/76/48/44/635764844.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958522 635764845 /nfs/dbraw/zinc/76/48/45/635764845.db2.gz MFLHVIYLQNVWCK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001002955311 635859986 /nfs/dbraw/zinc/85/99/86/635859986.db2.gz KITFFVPPDNWCAH-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708351 636263790 /nfs/dbraw/zinc/26/37/90/636263790.db2.gz YIFAYVAYXXDZGZ-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708351 636263791 /nfs/dbraw/zinc/26/37/91/636263791.db2.gz YIFAYVAYXXDZGZ-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831670 636495974 /nfs/dbraw/zinc/49/59/74/636495974.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831670 636495976 /nfs/dbraw/zinc/49/59/76/636495976.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831670 636495980 /nfs/dbraw/zinc/49/59/80/636495980.db2.gz PSTVTIFMMPLJOP-AMBYYYRHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004615913 636502087 /nfs/dbraw/zinc/50/20/87/636502087.db2.gz JMVHDOUYXHWFRT-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004615913 636502090 /nfs/dbraw/zinc/50/20/90/636502090.db2.gz JMVHDOUYXHWFRT-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004615913 636502093 /nfs/dbraw/zinc/50/20/93/636502093.db2.gz JMVHDOUYXHWFRT-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751988 636599116 /nfs/dbraw/zinc/59/91/16/636599116.db2.gz NHGMPTRDOHENMI-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413231 637166932 /nfs/dbraw/zinc/16/69/32/637166932.db2.gz FAQPFEJXLBBZOY-WMZOPIPTSA-N 2 1 301.434 2.289 20 30 DEEDMP CC[C@@H](CNC(NC1CC1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000303388825 639417405 /nfs/dbraw/zinc/41/74/05/639417405.db2.gz CCAWNVXXZCECHH-KRWDZBQOSA-N 2 1 300.450 2.151 20 30 DEEDMP CC[C@@H](CNC(NC1CC1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000303388825 639417409 /nfs/dbraw/zinc/41/74/09/639417409.db2.gz CCAWNVXXZCECHH-KRWDZBQOSA-N 2 1 300.450 2.151 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985480268 639455723 /nfs/dbraw/zinc/45/57/23/639455723.db2.gz DUYVHSCBIOUBNC-HNNXBMFYSA-N 2 1 315.889 2.248 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985695473 639588361 /nfs/dbraw/zinc/58/83/61/639588361.db2.gz WBAABVYRKLATBD-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985695473 639588364 /nfs/dbraw/zinc/58/83/64/639588364.db2.gz WBAABVYRKLATBD-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985695473 639588368 /nfs/dbraw/zinc/58/83/68/639588368.db2.gz WBAABVYRKLATBD-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951215352 639948963 /nfs/dbraw/zinc/94/89/63/639948963.db2.gz ZAQVUOSHGVQJMB-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000951215352 639948966 /nfs/dbraw/zinc/94/89/66/639948966.db2.gz ZAQVUOSHGVQJMB-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000764578291 640657491 /nfs/dbraw/zinc/65/74/91/640657491.db2.gz RIMNCYFCHVUINL-KRWDZBQOSA-N 2 1 315.461 2.227 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989457211 641055164 /nfs/dbraw/zinc/05/51/64/641055164.db2.gz LTINFSXDFBKVNJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989457211 641055167 /nfs/dbraw/zinc/05/51/67/641055167.db2.gz LTINFSXDFBKVNJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457211 641055172 /nfs/dbraw/zinc/05/51/72/641055172.db2.gz LTINFSXDFBKVNJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989457211 641055173 /nfs/dbraw/zinc/05/51/73/641055173.db2.gz LTINFSXDFBKVNJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP COc1ccc(C(N)=NOCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000842021406 650628858 /nfs/dbraw/zinc/62/88/58/650628858.db2.gz NNFIXEOMVVYSLU-UHFFFAOYSA-N 2 1 313.401 2.464 20 30 DEEDMP COc1ccc(C(N)=NOCCN(C)Cc2ccccc2)cc1 ZINC000842021406 650628860 /nfs/dbraw/zinc/62/88/60/650628860.db2.gz NNFIXEOMVVYSLU-UHFFFAOYSA-N 2 1 313.401 2.464 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900605398 642419453 /nfs/dbraw/zinc/41/94/53/642419453.db2.gz KLAGTWPMWBKDNG-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000900686356 642444427 /nfs/dbraw/zinc/44/44/27/642444427.db2.gz HSYZJZHGUBHFMW-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000901026641 642547970 /nfs/dbraw/zinc/54/79/70/642547970.db2.gz VFFCYQYNNXIQFZ-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000903784773 643461526 /nfs/dbraw/zinc/46/15/26/643461526.db2.gz SAQUCKKWZQROLY-DAYGRLMNSA-N 2 1 319.449 2.063 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907282706 644497864 /nfs/dbraw/zinc/49/78/64/644497864.db2.gz PPOBMTBPFQPYSF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000907284019 644497871 /nfs/dbraw/zinc/49/78/71/644497871.db2.gz JXEUABLFGJAYDD-UHFFFAOYSA-N 2 1 316.449 2.114 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000907319727 644512558 /nfs/dbraw/zinc/51/25/58/644512558.db2.gz ALLGSSADCPDWID-UHFFFAOYSA-N 2 1 322.478 2.356 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000907319727 644512559 /nfs/dbraw/zinc/51/25/59/644512559.db2.gz ALLGSSADCPDWID-UHFFFAOYSA-N 2 1 322.478 2.356 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992715131 647194318 /nfs/dbraw/zinc/19/43/18/647194318.db2.gz RRRMNOJMTPJUQF-CGTJXYLNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387493 647287830 /nfs/dbraw/zinc/28/78/30/647287830.db2.gz LVRRDYBOPCIVPO-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993322221 647603202 /nfs/dbraw/zinc/60/32/02/647603202.db2.gz CFZWZTYMDTXQNN-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993322214 647603399 /nfs/dbraw/zinc/60/33/99/647603399.db2.gz CFZWZTYMDTXQNN-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993534129 647692082 /nfs/dbraw/zinc/69/20/82/647692082.db2.gz SBHHCELQBKAZLK-YOEHRIQHSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993618860 647707826 /nfs/dbraw/zinc/70/78/26/647707826.db2.gz VPNSFEVQLHGCFH-YOEHRIQHSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805987 647747381 /nfs/dbraw/zinc/74/73/81/647747381.db2.gz NXQMILFXXUDXDL-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805987 647747383 /nfs/dbraw/zinc/74/73/83/647747383.db2.gz NXQMILFXXUDXDL-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805987 647747384 /nfs/dbraw/zinc/74/73/84/647747384.db2.gz NXQMILFXXUDXDL-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994162355 647797233 /nfs/dbraw/zinc/79/72/33/647797233.db2.gz ACJRUILHMYKPTF-CRAIPNDOSA-N 2 1 319.493 2.264 20 30 DEEDMP CC[N@H+](C[C@@H](O)CN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770545 648180773 /nfs/dbraw/zinc/18/07/73/648180773.db2.gz IEFFSTXPRGUDOA-QAPCUYQASA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@@H+](C[C@@H](O)CN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770545 648180775 /nfs/dbraw/zinc/18/07/75/648180775.db2.gz IEFFSTXPRGUDOA-QAPCUYQASA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881711 648509403 /nfs/dbraw/zinc/50/94/03/648509403.db2.gz HNKLHESVMFLYFD-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863647 648957375 /nfs/dbraw/zinc/95/73/75/648957375.db2.gz FREQQDRJJRVJOR-HNNXBMFYSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164858 649011361 /nfs/dbraw/zinc/01/13/61/649011361.db2.gz XZGZOHXKPDOKLH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164858 649011362 /nfs/dbraw/zinc/01/13/62/649011362.db2.gz XZGZOHXKPDOKLH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164858 649011363 /nfs/dbraw/zinc/01/13/63/649011363.db2.gz XZGZOHXKPDOKLH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372287 649096983 /nfs/dbraw/zinc/09/69/83/649096983.db2.gz BHNIIZPLDFJNEN-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257192 649191976 /nfs/dbraw/zinc/19/19/76/649191976.db2.gz KYQWVCIRAVEAFQ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942287601 649200718 /nfs/dbraw/zinc/20/07/18/649200718.db2.gz LPSDFCWXRMAKLE-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP CCc1ccc(CNC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)s1 ZINC000083094084 649656941 /nfs/dbraw/zinc/65/69/41/649656941.db2.gz FGJCGLPHSOVNSB-GFCCVEGCSA-N 2 1 306.479 2.212 20 30 DEEDMP CCc1ccc(CNC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000083094084 649656943 /nfs/dbraw/zinc/65/69/43/649656943.db2.gz FGJCGLPHSOVNSB-GFCCVEGCSA-N 2 1 306.479 2.212 20 30 DEEDMP C#CCOCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000851933215 652286068 /nfs/dbraw/zinc/28/60/68/652286068.db2.gz OXDATOBYPQFMEF-DZFIZOCASA-N 2 1 300.446 2.382 20 30 DEEDMP C#CCOc1ccccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000111386602 652561933 /nfs/dbraw/zinc/56/19/33/652561933.db2.gz KBCOOYDNLBUTCR-GOSISDBHSA-N 2 1 316.445 2.025 20 30 DEEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000853798151 652605237 /nfs/dbraw/zinc/60/52/37/652605237.db2.gz CLVXBIVXLWWNGE-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DEEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000853798151 652605239 /nfs/dbraw/zinc/60/52/39/652605239.db2.gz CLVXBIVXLWWNGE-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001568491588 1158262910 /nfs/dbraw/zinc/26/29/10/1158262910.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001568491588 1158262918 /nfs/dbraw/zinc/26/29/18/1158262918.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304743646 685258811 /nfs/dbraw/zinc/25/88/11/685258811.db2.gz DGEIXLPZECPJDH-HNNXBMFYSA-N 2 1 304.438 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000304754371 685259976 /nfs/dbraw/zinc/25/99/76/685259976.db2.gz LVIJMMBIMGPTDV-HYVNUMGLSA-N 2 1 300.450 2.240 20 30 DEEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000305730863 685296286 /nfs/dbraw/zinc/29/62/86/685296286.db2.gz UJAKKMWWRCXLNR-UHFFFAOYSA-N 2 1 324.513 2.220 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164786 693868408 /nfs/dbraw/zinc/86/84/08/693868408.db2.gz RWXSLBJXGJQIKS-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164786 693868411 /nfs/dbraw/zinc/86/84/11/693868411.db2.gz RWXSLBJXGJQIKS-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199389 693880578 /nfs/dbraw/zinc/88/05/78/693880578.db2.gz VQZILXFAGXLUSN-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP CCNC(NC[C@H](CC)[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000303369449 685231817 /nfs/dbraw/zinc/23/18/17/685231817.db2.gz JMBCOYLNLWJLHL-KRWDZBQOSA-N 2 1 302.466 2.398 20 30 DEEDMP CCNC(NC[C@H](CC)[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000303369449 685231826 /nfs/dbraw/zinc/23/18/26/685231826.db2.gz JMBCOYLNLWJLHL-KRWDZBQOSA-N 2 1 302.466 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015858316 687442617 /nfs/dbraw/zinc/44/26/17/687442617.db2.gz NKKMAYDRCAUMRX-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176531 688071087 /nfs/dbraw/zinc/07/10/87/688071087.db2.gz KSUNPPKTECXILA-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176531 688071090 /nfs/dbraw/zinc/07/10/90/688071090.db2.gz KSUNPPKTECXILA-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018298463 688104236 /nfs/dbraw/zinc/10/42/36/688104236.db2.gz JDTDMUTUVBYACB-HDICACEKSA-N 2 1 313.445 2.223 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018298463 688104240 /nfs/dbraw/zinc/10/42/40/688104240.db2.gz JDTDMUTUVBYACB-HDICACEKSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001030737144 688750874 /nfs/dbraw/zinc/75/08/74/688750874.db2.gz NISKILRKEGYSON-UHFFFAOYSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001030965722 688806945 /nfs/dbraw/zinc/80/69/45/688806945.db2.gz RRXQVOFFMCQTBV-UHFFFAOYSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730162 688987257 /nfs/dbraw/zinc/98/72/57/688987257.db2.gz GFRABBXITPROGF-KRWDZBQOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043138 689048423 /nfs/dbraw/zinc/04/84/23/689048423.db2.gz VWTMJTXTFHOVRD-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856719 689640249 /nfs/dbraw/zinc/64/02/49/689640249.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856719 689640252 /nfs/dbraw/zinc/64/02/52/689640252.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856719 689640257 /nfs/dbraw/zinc/64/02/57/689640257.db2.gz VYNAYYOAMGYKDU-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034269224 689787921 /nfs/dbraw/zinc/78/79/21/689787921.db2.gz CJTQBBMRDZOJEB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034269224 689787924 /nfs/dbraw/zinc/78/79/24/689787924.db2.gz CJTQBBMRDZOJEB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269224 689787926 /nfs/dbraw/zinc/78/79/26/689787926.db2.gz CJTQBBMRDZOJEB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269224 689787928 /nfs/dbraw/zinc/78/79/28/689787928.db2.gz CJTQBBMRDZOJEB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331940 689812698 /nfs/dbraw/zinc/81/26/98/689812698.db2.gz WBVSBYZHJGVPKX-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363477 689822715 /nfs/dbraw/zinc/82/27/15/689822715.db2.gz BGALITVXSHKOTQ-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363477 689822716 /nfs/dbraw/zinc/82/27/16/689822716.db2.gz BGALITVXSHKOTQ-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034370958 689826065 /nfs/dbraw/zinc/82/60/65/689826065.db2.gz PDZIHVOPOGIJMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370958 689826067 /nfs/dbraw/zinc/82/60/67/689826067.db2.gz PDZIHVOPOGIJMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034370958 689826069 /nfs/dbraw/zinc/82/60/69/689826069.db2.gz PDZIHVOPOGIJMK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034399832 689836357 /nfs/dbraw/zinc/83/63/57/689836357.db2.gz VDQFVBNZODHPGS-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399832 689836358 /nfs/dbraw/zinc/83/63/58/689836358.db2.gz VDQFVBNZODHPGS-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399832 689836360 /nfs/dbraw/zinc/83/63/60/689836360.db2.gz VDQFVBNZODHPGS-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436710 689850048 /nfs/dbraw/zinc/85/00/48/689850048.db2.gz BETULQFOZQIIIK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439265 689851090 /nfs/dbraw/zinc/85/10/90/689851090.db2.gz SSRAQDNSZFCMRK-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538512 689891335 /nfs/dbraw/zinc/89/13/35/689891335.db2.gz NZMCNYVMJVUGMW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538512 689891341 /nfs/dbraw/zinc/89/13/41/689891341.db2.gz NZMCNYVMJVUGMW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538512 689891345 /nfs/dbraw/zinc/89/13/45/689891345.db2.gz NZMCNYVMJVUGMW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001034660985 689921665 /nfs/dbraw/zinc/92/16/65/689921665.db2.gz IIYSSRBLNLTVCW-JYJNAYRXSA-N 2 1 316.449 2.354 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034750833 689940606 /nfs/dbraw/zinc/94/06/06/689940606.db2.gz ZJZZKRWNLTXYEH-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754279 689941205 /nfs/dbraw/zinc/94/12/05/689941205.db2.gz YKZFFYRJLLRFEP-QAETUUGQSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197992 690057674 /nfs/dbraw/zinc/05/76/74/690057674.db2.gz ZBDBTQYESDLORD-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257284 690075776 /nfs/dbraw/zinc/07/57/76/690075776.db2.gz VUPIAQWMGSLAGB-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257284 690075781 /nfs/dbraw/zinc/07/57/81/690075781.db2.gz VUPIAQWMGSLAGB-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257284 690075784 /nfs/dbraw/zinc/07/57/84/690075784.db2.gz VUPIAQWMGSLAGB-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035719568 690160365 /nfs/dbraw/zinc/16/03/65/690160365.db2.gz BYWVSWBUYKGZPZ-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773322 690469772 /nfs/dbraw/zinc/46/97/72/690469772.db2.gz LEFTZPRAMGNXAK-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794616 690476651 /nfs/dbraw/zinc/47/66/51/690476651.db2.gz YDONOKGFCMMHTI-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138264 691030529 /nfs/dbraw/zinc/03/05/29/691030529.db2.gz XBIKXAUNSILMME-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153631 691033858 /nfs/dbraw/zinc/03/38/58/691033858.db2.gz DHSGQBACNLNOFT-QZTJIDSGSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159452 691035489 /nfs/dbraw/zinc/03/54/89/691035489.db2.gz OHJFSZMROBODFH-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037057 /nfs/dbraw/zinc/03/70/57/691037057.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037060 /nfs/dbraw/zinc/03/70/60/691037060.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163330 691037062 /nfs/dbraw/zinc/03/70/62/691037062.db2.gz AKIUPDXFIUAVFH-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173088 691039308 /nfs/dbraw/zinc/03/93/08/691039308.db2.gz NGGRZUQKWCMESR-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173088 691039311 /nfs/dbraw/zinc/03/93/11/691039311.db2.gz NGGRZUQKWCMESR-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173088 691039313 /nfs/dbraw/zinc/03/93/13/691039313.db2.gz NGGRZUQKWCMESR-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239648 691064674 /nfs/dbraw/zinc/06/46/74/691064674.db2.gz UGUJNJGEXCJVCL-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039379930 691092924 /nfs/dbraw/zinc/09/29/24/691092924.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379930 691092928 /nfs/dbraw/zinc/09/29/28/691092928.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379930 691092930 /nfs/dbraw/zinc/09/29/30/691092930.db2.gz CQQKHSMYIXSUPQ-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243822 691219135 /nfs/dbraw/zinc/21/91/35/691219135.db2.gz CBLJQPNKDVAILB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243822 691219139 /nfs/dbraw/zinc/21/91/39/691219139.db2.gz CBLJQPNKDVAILB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243822 691219140 /nfs/dbraw/zinc/21/91/40/691219140.db2.gz CBLJQPNKDVAILB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430816 691246333 /nfs/dbraw/zinc/24/63/33/691246333.db2.gz CRGULKGAGYWRFI-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040849100 691292776 /nfs/dbraw/zinc/29/27/76/691292776.db2.gz OQLHVMINYLCXLY-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041429451 691374166 /nfs/dbraw/zinc/37/41/66/691374166.db2.gz VPPUBPUJCCHNEJ-IBGZPJMESA-N 2 1 324.428 2.367 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446302 691376517 /nfs/dbraw/zinc/37/65/17/691376517.db2.gz SECXZTPJNMRKDW-GOSISDBHSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723560 691417170 /nfs/dbraw/zinc/41/71/70/691417170.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723560 691417174 /nfs/dbraw/zinc/41/71/74/691417174.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723560 691417176 /nfs/dbraw/zinc/41/71/76/691417176.db2.gz IVSFNQNVZCNQDC-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724585 691417864 /nfs/dbraw/zinc/41/78/64/691417864.db2.gz BHTHEHNFPHVCKJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000883131116 691435981 /nfs/dbraw/zinc/43/59/81/691435981.db2.gz HKYKLTNKVZOEPQ-UHFFFAOYSA-N 2 1 300.324 2.472 20 30 DEEDMP C=CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000883186268 691452219 /nfs/dbraw/zinc/45/22/19/691452219.db2.gz OJHKFOCOQUUIEZ-ZWKOTPCHSA-N 2 1 309.498 2.117 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286540 691557577 /nfs/dbraw/zinc/55/75/77/691557577.db2.gz ARJQADBFYOEFLQ-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001044170675 691783690 /nfs/dbraw/zinc/78/36/90/691783690.db2.gz SUGRTCCSTKOROO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001044170675 691783693 /nfs/dbraw/zinc/78/36/93/691783693.db2.gz SUGRTCCSTKOROO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044761413 691883096 /nfs/dbraw/zinc/88/30/96/691883096.db2.gz WPVGMAKDYUSBEI-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984434 692068856 /nfs/dbraw/zinc/06/88/56/692068856.db2.gz AIACLHCWYTYTEI-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984434 692068861 /nfs/dbraw/zinc/06/88/61/692068861.db2.gz AIACLHCWYTYTEI-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984434 692068863 /nfs/dbraw/zinc/06/88/63/692068863.db2.gz AIACLHCWYTYTEI-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000887136478 692289589 /nfs/dbraw/zinc/28/95/89/692289589.db2.gz UZKDEVFBNYVBDB-DOTOQJQBSA-N 2 1 314.433 2.037 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582713 692653184 /nfs/dbraw/zinc/65/31/84/692653184.db2.gz VKCVEOKYMJGOSK-BJWYYQGGSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523829 692911513 /nfs/dbraw/zinc/91/15/13/692911513.db2.gz HVDKFGROMFLHKT-XHSDSOJGSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049523829 692911514 /nfs/dbraw/zinc/91/15/14/692911514.db2.gz HVDKFGROMFLHKT-XHSDSOJGSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637941 692948460 /nfs/dbraw/zinc/94/84/60/692948460.db2.gz JCHHKORSLYXAHX-HZPDHXFCSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637934 692948558 /nfs/dbraw/zinc/94/85/58/692948558.db2.gz JCHHKORSLYXAHX-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130088 693116029 /nfs/dbraw/zinc/11/60/29/693116029.db2.gz LHGNUEOCRNSQCU-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050157118 693124305 /nfs/dbraw/zinc/12/43/05/693124305.db2.gz ZKBYALNFAAXHCB-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786162 693342228 /nfs/dbraw/zinc/34/22/28/693342228.db2.gz WKBRUHXHSYAODV-GXTWGEPZSA-N 2 1 309.360 2.484 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763284 693613995 /nfs/dbraw/zinc/61/39/95/693613995.db2.gz GCQAZEOIHYOIKM-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764416 693614538 /nfs/dbraw/zinc/61/45/38/693614538.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764416 693614540 /nfs/dbraw/zinc/61/45/40/693614540.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764416 693614543 /nfs/dbraw/zinc/61/45/43/693614543.db2.gz OUTYQYPMJJLDMH-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764438 693614977 /nfs/dbraw/zinc/61/49/77/693614977.db2.gz PIBCIUZOUPKMHI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217566 1149836450 /nfs/dbraw/zinc/83/64/50/1149836450.db2.gz IHRRNEIQDYLNKI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001402645219 1162424575 /nfs/dbraw/zinc/42/45/75/1162424575.db2.gz SMLWJKZIVRPPBO-IYBDPMFKSA-N 2 1 321.852 2.108 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001402645219 1162424577 /nfs/dbraw/zinc/42/45/77/1162424577.db2.gz SMLWJKZIVRPPBO-IYBDPMFKSA-N 2 1 321.852 2.108 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001380861758 1152868245 /nfs/dbraw/zinc/86/82/45/1152868245.db2.gz NYWMWIJUTZCZDH-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001402897552 1162523085 /nfs/dbraw/zinc/52/30/85/1162523085.db2.gz XFBYQKGCVMDGBS-OLZOCXBDSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001402897566 1162523463 /nfs/dbraw/zinc/52/34/63/1162523463.db2.gz XFBYQKGCVMDGBS-STQMWFEESA-N 2 1 312.845 2.243 20 30 DEEDMP C#CCC[N@H+](C)CCN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001568491588 1158262901 /nfs/dbraw/zinc/26/29/01/1158262901.db2.gz SETSXXBDHXETEQ-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001401151858 1161883859 /nfs/dbraw/zinc/88/38/59/1161883859.db2.gz IOZZLUBKKLRMMU-CZUORRHYSA-N 2 1 323.868 2.384 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001404126918 1163468342 /nfs/dbraw/zinc/46/83/42/1163468342.db2.gz UCLVVMIOEWZXRK-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001404126918 1163468347 /nfs/dbraw/zinc/46/83/47/1163468347.db2.gz UCLVVMIOEWZXRK-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001406706727 1164804604 /nfs/dbraw/zinc/80/46/04/1164804604.db2.gz BIAQTZUKACVDIW-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001422551603 1172700634 /nfs/dbraw/zinc/70/06/34/1172700634.db2.gz YLFUCEOSZVDEPT-IUODEOHRSA-N 2 1 319.852 2.046 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001424089280 1173649196 /nfs/dbraw/zinc/64/91/96/1173649196.db2.gz MZMNNPSDQUMMNW-SHTZXODSSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424698810 1173875962 /nfs/dbraw/zinc/87/59/62/1173875962.db2.gz HMACRPPJQRMDSS-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424698810 1173875968 /nfs/dbraw/zinc/87/59/68/1173875968.db2.gz HMACRPPJQRMDSS-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424698810 1173875972 /nfs/dbraw/zinc/87/59/72/1173875972.db2.gz HMACRPPJQRMDSS-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424698810 1173875975 /nfs/dbraw/zinc/87/59/75/1173875975.db2.gz HMACRPPJQRMDSS-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116120 782226450 /nfs/dbraw/zinc/22/64/50/782226450.db2.gz OALOJFDSRKUSCM-IRXDYDNUSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370755733 1149832777 /nfs/dbraw/zinc/83/27/77/1149832777.db2.gz UEQMAYWCSVMURH-CABCVRRESA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370755733 1149832779 /nfs/dbraw/zinc/83/27/79/1149832779.db2.gz UEQMAYWCSVMURH-CABCVRRESA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001408129341 1165490158 /nfs/dbraw/zinc/49/01/58/1165490158.db2.gz QZVLPKXNTPGEFZ-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001408129341 1165490160 /nfs/dbraw/zinc/49/01/60/1165490160.db2.gz QZVLPKXNTPGEFZ-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001408129341 1165490162 /nfs/dbraw/zinc/49/01/62/1165490162.db2.gz QZVLPKXNTPGEFZ-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248501 782570345 /nfs/dbraw/zinc/57/03/45/782570345.db2.gz RRBVPVBLSNJMKV-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)CC(C)(C)C1 ZINC001089408712 783076784 /nfs/dbraw/zinc/07/67/84/783076784.db2.gz FYUOMJSRIKGMNY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001089408712 783076792 /nfs/dbraw/zinc/07/67/92/783076792.db2.gz FYUOMJSRIKGMNY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)CC(C)(C)C1 ZINC001089408712 783076797 /nfs/dbraw/zinc/07/67/97/783076797.db2.gz FYUOMJSRIKGMNY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)CC(C)(C)C1 ZINC001089408712 783076806 /nfs/dbraw/zinc/07/68/06/783076806.db2.gz FYUOMJSRIKGMNY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559685 783205370 /nfs/dbraw/zinc/20/53/70/783205370.db2.gz RAWXBVCVSZWLFK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559685 783205376 /nfs/dbraw/zinc/20/53/76/783205376.db2.gz RAWXBVCVSZWLFK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559685 783205383 /nfs/dbraw/zinc/20/53/83/783205383.db2.gz RAWXBVCVSZWLFK-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932814 778260410 /nfs/dbraw/zinc/26/04/10/778260410.db2.gz PMWQLMDJXSXXLW-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729692 778789589 /nfs/dbraw/zinc/78/95/89/778789589.db2.gz GNPZGILYPAFXQF-ZWKOTPCHSA-N 2 1 315.461 2.097 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726803 779427013 /nfs/dbraw/zinc/42/70/13/779427013.db2.gz SRHGKHLITFVPQM-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726803 779427017 /nfs/dbraw/zinc/42/70/17/779427017.db2.gz SRHGKHLITFVPQM-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726803 779427021 /nfs/dbraw/zinc/42/70/21/779427021.db2.gz SRHGKHLITFVPQM-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088327400 779960561 /nfs/dbraw/zinc/96/05/61/779960561.db2.gz MTTOKLYVECMMSK-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367151 780028799 /nfs/dbraw/zinc/02/87/99/780028799.db2.gz CNUYTDSVDBEVIN-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624383 /nfs/dbraw/zinc/62/43/83/780624383.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624387 /nfs/dbraw/zinc/62/43/87/780624387.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617005 780624391 /nfs/dbraw/zinc/62/43/91/780624391.db2.gz UZUMWFLNDAPZRV-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692932 780827545 /nfs/dbraw/zinc/82/75/45/780827545.db2.gz DSVXJJJLNPBRPB-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664853 783335948 /nfs/dbraw/zinc/33/59/48/783335948.db2.gz OVICEQSFLIKQRJ-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365554 783440850 /nfs/dbraw/zinc/44/08/50/783440850.db2.gz QHPSZRJTFBKSLF-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365554 783440854 /nfs/dbraw/zinc/44/08/54/783440854.db2.gz QHPSZRJTFBKSLF-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365554 783440858 /nfs/dbraw/zinc/44/08/58/783440858.db2.gz QHPSZRJTFBKSLF-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594583 783517568 /nfs/dbraw/zinc/51/75/68/783517568.db2.gz OYJDNVRAJUXQID-KRWDZBQOSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620869 783533351 /nfs/dbraw/zinc/53/33/51/783533351.db2.gz JWOKYRVNRRROAT-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620869 783533358 /nfs/dbraw/zinc/53/33/58/783533358.db2.gz JWOKYRVNRRROAT-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621058 783533522 /nfs/dbraw/zinc/53/35/22/783533522.db2.gz LGUTZUOIPGVSHQ-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709216 784098698 /nfs/dbraw/zinc/09/86/98/784098698.db2.gz XLRTXYWQDJOUKK-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918422 784212017 /nfs/dbraw/zinc/21/20/17/784212017.db2.gz CMINIVPTMDUKAN-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918422 784212023 /nfs/dbraw/zinc/21/20/23/784212023.db2.gz CMINIVPTMDUKAN-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918422 784212028 /nfs/dbraw/zinc/21/20/28/784212028.db2.gz CMINIVPTMDUKAN-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984585 784286957 /nfs/dbraw/zinc/28/69/57/784286957.db2.gz HVYKRDCGYQBSIR-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984585 784286967 /nfs/dbraw/zinc/28/69/67/784286967.db2.gz HVYKRDCGYQBSIR-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676442 784532921 /nfs/dbraw/zinc/53/29/21/784532921.db2.gz KIVNUOSHDOANAT-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086366999 784625657 /nfs/dbraw/zinc/62/56/57/784625657.db2.gz UDSGGHJMOVGMJA-BRWVUGGUSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724408 784983932 /nfs/dbraw/zinc/98/39/32/784983932.db2.gz VKAOLDASOJVOJV-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318881 791087959 /nfs/dbraw/zinc/08/79/59/791087959.db2.gz UBLUNQMGSMGFON-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746755 785293048 /nfs/dbraw/zinc/29/30/48/785293048.db2.gz JNVDAMGWQBMJGQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009629591 785494985 /nfs/dbraw/zinc/49/49/85/785494985.db2.gz SPMDCCGFDKBKBA-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029658 787453664 /nfs/dbraw/zinc/45/36/64/787453664.db2.gz LKHJBQVOCKTOJM-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132486271 788099618 /nfs/dbraw/zinc/09/96/18/788099618.db2.gz MRGLPUUIIAGHIW-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132486271 788099628 /nfs/dbraw/zinc/09/96/28/788099628.db2.gz MRGLPUUIIAGHIW-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937251 788231064 /nfs/dbraw/zinc/23/10/64/788231064.db2.gz IZMFQMRKKBNELJ-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860485 788254652 /nfs/dbraw/zinc/25/46/52/788254652.db2.gz LZDSWDBEVILQHO-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860485 788254655 /nfs/dbraw/zinc/25/46/55/788254655.db2.gz LZDSWDBEVILQHO-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860485 788254657 /nfs/dbraw/zinc/25/46/57/788254657.db2.gz LZDSWDBEVILQHO-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263584 788339804 /nfs/dbraw/zinc/33/98/04/788339804.db2.gz XUZSAUAPLAMUMI-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918489 788676129 /nfs/dbraw/zinc/67/61/29/788676129.db2.gz VPHKOHOOUVZGKG-KRWDZBQOSA-N 2 1 317.477 2.221 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086715445 788699714 /nfs/dbraw/zinc/69/97/14/788699714.db2.gz GOTHJQUQIXZLQC-OKZBNKHCSA-N 2 1 321.509 2.415 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170752241 788939954 /nfs/dbraw/zinc/93/99/54/788939954.db2.gz YRUQTEBJPPJLOX-IAGOWNOFSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467464 789356279 /nfs/dbraw/zinc/35/62/79/789356279.db2.gz GKKPIKUXURTJGQ-KBPBESRZSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919347 789971604 /nfs/dbraw/zinc/97/16/04/789971604.db2.gz AINUJZNXBJTWFM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001074824686 791329529 /nfs/dbraw/zinc/32/95/29/791329529.db2.gz HZWHJNBATGSQPG-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174862 791703662 /nfs/dbraw/zinc/70/36/62/791703662.db2.gz YXEWJMBJPVABGD-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777188 791797014 /nfs/dbraw/zinc/79/70/14/791797014.db2.gz JTKFIKRWFRORCG-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748076 791799193 /nfs/dbraw/zinc/79/91/93/791799193.db2.gz HKHXAKXHAAWYBA-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748076 791799195 /nfs/dbraw/zinc/79/91/95/791799195.db2.gz HKHXAKXHAAWYBA-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907742 791845505 /nfs/dbraw/zinc/84/55/05/791845505.db2.gz AGYIOXGLHBEFJO-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907877 791846300 /nfs/dbraw/zinc/84/63/00/791846300.db2.gz GERCJXKYCZXAJH-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302275 791973174 /nfs/dbraw/zinc/97/31/74/791973174.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302275 791973178 /nfs/dbraw/zinc/97/31/78/791973178.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302275 791973180 /nfs/dbraw/zinc/97/31/80/791973180.db2.gz WNTLZOHQNBPWTD-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123033 792105701 /nfs/dbraw/zinc/10/57/01/792105701.db2.gz OQJPPBGCOUKJQK-LPHOPBHVSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100420529 792639969 /nfs/dbraw/zinc/63/99/69/792639969.db2.gz LOXCIQUOZBNCOQ-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161946 793043677 /nfs/dbraw/zinc/04/36/77/793043677.db2.gz ZOUUNJAVCXSEQQ-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363239 793134600 /nfs/dbraw/zinc/13/46/00/793134600.db2.gz RQBKPIWYSZNXNE-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739283 793206296 /nfs/dbraw/zinc/20/62/96/793206296.db2.gz BIKUUQOOSFGABQ-WMZOPIPTSA-N 2 1 312.461 2.227 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612578 793670915 /nfs/dbraw/zinc/67/09/15/793670915.db2.gz NTGDISFWGYNATE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005211 793877200 /nfs/dbraw/zinc/87/72/00/793877200.db2.gz WYWBOIINZLXIJN-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103005211 793877206 /nfs/dbraw/zinc/87/72/06/793877206.db2.gz WYWBOIINZLXIJN-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103005211 793877214 /nfs/dbraw/zinc/87/72/14/793877214.db2.gz WYWBOIINZLXIJN-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087617 793934967 /nfs/dbraw/zinc/93/49/67/793934967.db2.gz JWSQDBVVXUNFFI-NXHRZFHOSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426957 794088930 /nfs/dbraw/zinc/08/89/30/794088930.db2.gz UOXXJCJEQXHVQC-ZACQAIPSSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426604 794088984 /nfs/dbraw/zinc/08/89/84/794088984.db2.gz DQRWAGFFJYPAOK-KZNAEPCWSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175262146 794171696 /nfs/dbraw/zinc/17/16/96/794171696.db2.gz BYZZJUJODDGFEB-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779178 794477813 /nfs/dbraw/zinc/47/78/13/794477813.db2.gz XWXZLIDIMUWQBT-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760437 794499262 /nfs/dbraw/zinc/49/92/62/794499262.db2.gz WOPYXHUQJHLLSD-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861668 794504228 /nfs/dbraw/zinc/50/42/28/794504228.db2.gz YKXWUGKNDNFCBV-RYRKJORJSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017786 794546274 /nfs/dbraw/zinc/54/62/74/794546274.db2.gz SSVPCDWJKHSZJH-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115301560 794728525 /nfs/dbraw/zinc/72/85/25/794728525.db2.gz BTPGUSHROJZLCL-MLHJIOFPSA-N 2 1 319.493 2.119 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178472508 794932056 /nfs/dbraw/zinc/93/20/56/794932056.db2.gz XDTFQSOBHMWZQI-KRWDZBQOSA-N 2 1 307.482 2.149 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483571 794935725 /nfs/dbraw/zinc/93/57/25/794935725.db2.gz DXLFMXJFFBUPFE-MSOLQXFVSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383029 795109752 /nfs/dbraw/zinc/10/97/52/795109752.db2.gz GZASASLCVXZARH-IRXDYDNUSA-N 2 1 307.482 2.006 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179824095 795190407 /nfs/dbraw/zinc/19/04/07/795190407.db2.gz QMGQGDDRHWBPGK-UHFFFAOYSA-N 2 1 318.465 2.261 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440901 795460934 /nfs/dbraw/zinc/46/09/34/795460934.db2.gz UXJMUOQBGQOBES-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470196 795467678 /nfs/dbraw/zinc/46/76/78/795467678.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470196 795467680 /nfs/dbraw/zinc/46/76/80/795467680.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470196 795467682 /nfs/dbraw/zinc/46/76/82/795467682.db2.gz PAYWHMNJAZKNNG-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240943 795836823 /nfs/dbraw/zinc/83/68/23/795836823.db2.gz WJHUCZYEKUWLRZ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183399255 795865184 /nfs/dbraw/zinc/86/51/84/795865184.db2.gz QNARDEVFLBQNIB-CRAIPNDOSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648629 795906031 /nfs/dbraw/zinc/90/60/31/795906031.db2.gz WJLBLWKSSMAKLP-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183869129 795956252 /nfs/dbraw/zinc/95/62/52/795956252.db2.gz RZNIQUXFAGUYNA-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809435 796130532 /nfs/dbraw/zinc/13/05/32/796130532.db2.gz GNEXUVBXGJRKNR-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185546400 796288928 /nfs/dbraw/zinc/28/89/28/796288928.db2.gz BLWAMPYJTQQCLO-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202941197 796387908 /nfs/dbraw/zinc/38/79/08/796387908.db2.gz YIMPLWBXZQRWLI-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186363230 796394519 /nfs/dbraw/zinc/39/45/19/796394519.db2.gz VXUJXKUJRJJSQN-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001139869216 796438565 /nfs/dbraw/zinc/43/85/65/796438565.db2.gz AYRGWNJODWVMFZ-OAHLLOKOSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001139869216 796438567 /nfs/dbraw/zinc/43/85/67/796438567.db2.gz AYRGWNJODWVMFZ-OAHLLOKOSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203043783 796533551 /nfs/dbraw/zinc/53/35/51/796533551.db2.gz FGORXZBKRXRUCE-SJORKVTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203103870 796649770 /nfs/dbraw/zinc/64/97/70/796649770.db2.gz NJCUASRBRQCHJZ-GJZGRUSLSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361416 796666881 /nfs/dbraw/zinc/66/68/81/796666881.db2.gz KOHKRIQVGJBBHD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188361416 796666884 /nfs/dbraw/zinc/66/68/84/796666884.db2.gz KOHKRIQVGJBBHD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480769 797008922 /nfs/dbraw/zinc/00/89/22/797008922.db2.gz JCXAMPWLEDNKTO-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742177 797066161 /nfs/dbraw/zinc/06/61/61/797066161.db2.gz BGWHPDFTJSOISZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190742177 797066168 /nfs/dbraw/zinc/06/61/68/797066168.db2.gz BGWHPDFTJSOISZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190742177 797066173 /nfs/dbraw/zinc/06/61/73/797066173.db2.gz BGWHPDFTJSOISZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464744 797539578 /nfs/dbraw/zinc/53/95/78/797539578.db2.gz WEUXGLBLKVRULW-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464744 797539583 /nfs/dbraw/zinc/53/95/83/797539583.db2.gz WEUXGLBLKVRULW-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464744 797539588 /nfs/dbraw/zinc/53/95/88/797539588.db2.gz WEUXGLBLKVRULW-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001155600336 797801236 /nfs/dbraw/zinc/80/12/36/797801236.db2.gz VBFLNEMRYPEZEF-RHSMWYFYSA-N 2 1 300.406 2.027 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196162786 798015034 /nfs/dbraw/zinc/01/50/34/798015034.db2.gz ADCGZGKACMUHGO-MRXNPFEDSA-N 2 1 316.449 2.261 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196162786 798015040 /nfs/dbraw/zinc/01/50/40/798015040.db2.gz ADCGZGKACMUHGO-MRXNPFEDSA-N 2 1 316.449 2.261 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367257 798053075 /nfs/dbraw/zinc/05/30/75/798053075.db2.gz VATNQNXRXHCMNO-UHFFFAOYSA-N 2 1 316.449 2.018 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795645 798239321 /nfs/dbraw/zinc/23/93/21/798239321.db2.gz ZDVJTHSFRPBKKV-UHFFFAOYSA-N 2 1 321.509 2.446 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795645 798239323 /nfs/dbraw/zinc/23/93/23/798239323.db2.gz ZDVJTHSFRPBKKV-UHFFFAOYSA-N 2 1 321.509 2.446 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951325 798312312 /nfs/dbraw/zinc/31/23/12/798312312.db2.gz UJVYPDPCIZLYOH-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951325 798312317 /nfs/dbraw/zinc/31/23/17/798312317.db2.gz UJVYPDPCIZLYOH-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157951325 798312323 /nfs/dbraw/zinc/31/23/23/798312323.db2.gz UJVYPDPCIZLYOH-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973539 798319331 /nfs/dbraw/zinc/31/93/31/798319331.db2.gz HJFZXDLIIQPTIA-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082322 798339890 /nfs/dbraw/zinc/33/98/90/798339890.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082322 798339897 /nfs/dbraw/zinc/33/98/97/798339897.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082322 798339902 /nfs/dbraw/zinc/33/99/02/798339902.db2.gz BRLYJQNIFBGLRY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090356 798341211 /nfs/dbraw/zinc/34/12/11/798341211.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090356 798341215 /nfs/dbraw/zinc/34/12/15/798341215.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090356 798341219 /nfs/dbraw/zinc/34/12/19/798341219.db2.gz WYLDPMNPEMSLEO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186771 798356110 /nfs/dbraw/zinc/35/61/10/798356110.db2.gz XATASJXZFZDJIR-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636232 798660258 /nfs/dbraw/zinc/66/02/58/798660258.db2.gz HKFOSOIWKMWBPA-ZMSDIMECSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160353544 798678878 /nfs/dbraw/zinc/67/88/78/798678878.db2.gz XFIRFBCHOLKHEJ-KRWDZBQOSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406230 798684202 /nfs/dbraw/zinc/68/42/02/798684202.db2.gz KPZQNOOIORGULB-KRWDZBQOSA-N 2 1 307.482 2.287 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446081 798861052 /nfs/dbraw/zinc/86/10/52/798861052.db2.gz WKGDKSMEPKWUNJ-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161446081 798861062 /nfs/dbraw/zinc/86/10/62/798861062.db2.gz WKGDKSMEPKWUNJ-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161446081 798861071 /nfs/dbraw/zinc/86/10/71/798861071.db2.gz WKGDKSMEPKWUNJ-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491776 798869288 /nfs/dbraw/zinc/86/92/88/798869288.db2.gz ONDYBTYWOXUKLF-GOSISDBHSA-N 2 1 319.493 2.124 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164578602 799626408 /nfs/dbraw/zinc/62/64/08/799626408.db2.gz JFTFYQFGYTYJGA-JKSUJKDBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668238 799687157 /nfs/dbraw/zinc/68/71/57/799687157.db2.gz MXTVNDKVLFBZED-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668238 799687164 /nfs/dbraw/zinc/68/71/64/799687164.db2.gz MXTVNDKVLFBZED-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668238 799687167 /nfs/dbraw/zinc/68/71/67/799687167.db2.gz MXTVNDKVLFBZED-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165509356 799739741 /nfs/dbraw/zinc/73/97/41/799739741.db2.gz YSZHSPBWBUMLOM-UHFFFAOYSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202519 799843000 /nfs/dbraw/zinc/84/30/00/799843000.db2.gz SEAOBMQUGVUWFG-UHFFFAOYSA-N 2 1 304.438 2.034 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649317 800099329 /nfs/dbraw/zinc/09/93/29/800099329.db2.gz AJRCLHOOMXRZRH-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730723 800112774 /nfs/dbraw/zinc/11/27/74/800112774.db2.gz MCXWRBLSTJHFTR-HZPDHXFCSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903048 800144773 /nfs/dbraw/zinc/14/47/73/800144773.db2.gz JNDUTKSGPOAUMK-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204793842 800258014 /nfs/dbraw/zinc/25/80/14/800258014.db2.gz PHDFAJYUDGWVMW-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287911 800337037 /nfs/dbraw/zinc/33/70/37/800337037.db2.gz DACYTRYCTJQDHK-QGZVFWFLSA-N 2 1 304.413 2.467 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287911 800337048 /nfs/dbraw/zinc/33/70/48/800337048.db2.gz DACYTRYCTJQDHK-QGZVFWFLSA-N 2 1 304.413 2.467 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284931 800337121 /nfs/dbraw/zinc/33/71/21/800337121.db2.gz UGJMJKLIDJKYLX-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461375 800359864 /nfs/dbraw/zinc/35/98/64/800359864.db2.gz HSDNLWXUOLESCB-SFHVURJKSA-N 2 1 319.493 2.408 20 30 DEEDMP Cn1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2cc(C#N)ccc21 ZINC001206200075 800488709 /nfs/dbraw/zinc/48/87/09/800488709.db2.gz QBDTXQJSGCETRA-CVEARBPZSA-N 2 1 300.381 2.311 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1OC ZINC001206615501 800565813 /nfs/dbraw/zinc/56/58/13/800565813.db2.gz GJCXYBRNOHZEJS-MRXNPFEDSA-N 2 1 302.418 2.268 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001208352624 800962555 /nfs/dbraw/zinc/96/25/55/800962555.db2.gz JYTMYDXEKSMHPO-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001208352624 800962558 /nfs/dbraw/zinc/96/25/58/800962558.db2.gz JYTMYDXEKSMHPO-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473791 800990877 /nfs/dbraw/zinc/99/08/77/800990877.db2.gz DXSGGPCFABECFL-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206126 801150993 /nfs/dbraw/zinc/15/09/93/801150993.db2.gz YAIDKWKZBABBND-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209660627 801249146 /nfs/dbraw/zinc/24/91/46/801249146.db2.gz QZZJISKUYCVKSJ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1c(F)ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1F ZINC001210269144 801365209 /nfs/dbraw/zinc/36/52/09/801365209.db2.gz OSTPPAYUKZQBQJ-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618396 801438756 /nfs/dbraw/zinc/43/87/56/801438756.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618396 801438759 /nfs/dbraw/zinc/43/87/59/801438759.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618396 801438765 /nfs/dbraw/zinc/43/87/65/801438765.db2.gz MLCJUMIKUCORAY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038726 801502574 /nfs/dbraw/zinc/50/25/74/801502574.db2.gz LDWZLBOKRYIDBX-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211038726 801502579 /nfs/dbraw/zinc/50/25/79/801502579.db2.gz LDWZLBOKRYIDBX-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063984 801507021 /nfs/dbraw/zinc/50/70/21/801507021.db2.gz FVMASDHQVBTDRR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090245 801510666 /nfs/dbraw/zinc/51/06/66/801510666.db2.gz ILMYQBXFMJTYNB-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256383 801537765 /nfs/dbraw/zinc/53/77/65/801537765.db2.gz FDWKTPCVNBZRDD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231216661 801608864 /nfs/dbraw/zinc/60/88/64/801608864.db2.gz MOXMPGFQEWIFNG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231216661 801608869 /nfs/dbraw/zinc/60/88/69/801608869.db2.gz MOXMPGFQEWIFNG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231216661 801608871 /nfs/dbraw/zinc/60/88/71/801608871.db2.gz MOXMPGFQEWIFNG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215727788 801898391 /nfs/dbraw/zinc/89/83/91/801898391.db2.gz HOXHLQDVVLOTAC-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620807 802598687 /nfs/dbraw/zinc/59/86/87/802598687.db2.gz ZJCBEDDVKSAIDE-JFIYKMOQSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620807 802598690 /nfs/dbraw/zinc/59/86/90/802598690.db2.gz ZJCBEDDVKSAIDE-JFIYKMOQSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620807 802598693 /nfs/dbraw/zinc/59/86/93/802598693.db2.gz ZJCBEDDVKSAIDE-JFIYKMOQSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521573 802700552 /nfs/dbraw/zinc/70/05/52/802700552.db2.gz WJGILXZSCOGVBW-IBGZPJMESA-N 2 1 319.493 2.315 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512394 802797404 /nfs/dbraw/zinc/79/74/04/802797404.db2.gz FWMRPPNRJMLONM-CVEARBPZSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512394 802797410 /nfs/dbraw/zinc/79/74/10/802797410.db2.gz FWMRPPNRJMLONM-CVEARBPZSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223512394 802797415 /nfs/dbraw/zinc/79/74/15/802797415.db2.gz FWMRPPNRJMLONM-CVEARBPZSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223846631 802818720 /nfs/dbraw/zinc/81/87/20/802818720.db2.gz PSEYGJAWFVSPQN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846631 802818724 /nfs/dbraw/zinc/81/87/24/802818724.db2.gz PSEYGJAWFVSPQN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846631 802818730 /nfs/dbraw/zinc/81/87/30/802818730.db2.gz PSEYGJAWFVSPQN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223840004 802819177 /nfs/dbraw/zinc/81/91/77/802819177.db2.gz VZMVGISMROSYBV-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223840004 802819182 /nfs/dbraw/zinc/81/91/82/802819182.db2.gz VZMVGISMROSYBV-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223840004 802819184 /nfs/dbraw/zinc/81/91/84/802819184.db2.gz VZMVGISMROSYBV-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223840004 802819188 /nfs/dbraw/zinc/81/91/88/802819188.db2.gz VZMVGISMROSYBV-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224538566 802880321 /nfs/dbraw/zinc/88/03/21/802880321.db2.gz XZIYENOLQUWSNA-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001227669051 803264829 /nfs/dbraw/zinc/26/48/29/803264829.db2.gz KHNYGSMKGMTRDB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228593844 803378237 /nfs/dbraw/zinc/37/82/37/803378237.db2.gz FUENQCKIHUSKAR-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001331516006 1149497279 /nfs/dbraw/zinc/49/72/79/1149497279.db2.gz JQAGYJGIFXXPGT-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001328731775 1148829164 /nfs/dbraw/zinc/82/91/64/1148829164.db2.gz ABQBMKDLJKNCEO-KRWDZBQOSA-N 2 1 324.428 2.202 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001328765705 1148833097 /nfs/dbraw/zinc/83/30/97/1148833097.db2.gz NPHJHCXQDPBDEM-HOCLYGCPSA-N 2 1 304.438 2.230 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001501701320 1059652880 /nfs/dbraw/zinc/65/28/80/1059652880.db2.gz VTAXCCUBUWTLLY-QAQDUYKDSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001502147129 1060000120 /nfs/dbraw/zinc/00/01/20/1060000120.db2.gz CURCSKUTAIZSRK-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001502245934 1060046427 /nfs/dbraw/zinc/04/64/27/1060046427.db2.gz KDHIHHNJXMGFKF-HNNXBMFYSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001502245934 1060046452 /nfs/dbraw/zinc/04/64/52/1060046452.db2.gz KDHIHHNJXMGFKF-HNNXBMFYSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001502245934 1060046478 /nfs/dbraw/zinc/04/64/78/1060046478.db2.gz KDHIHHNJXMGFKF-HNNXBMFYSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001502245934 1060046503 /nfs/dbraw/zinc/04/65/03/1060046503.db2.gz KDHIHHNJXMGFKF-HNNXBMFYSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435188 1060592820 /nfs/dbraw/zinc/59/28/20/1060592820.db2.gz DETASDXIMHKFQI-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001505435188 1060592837 /nfs/dbraw/zinc/59/28/37/1060592837.db2.gz DETASDXIMHKFQI-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001505435188 1060592858 /nfs/dbraw/zinc/59/28/58/1060592858.db2.gz DETASDXIMHKFQI-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001479777678 1061735540 /nfs/dbraw/zinc/73/55/40/1061735540.db2.gz AMSIFDXYLSPSBX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001479777678 1061735555 /nfs/dbraw/zinc/73/55/55/1061735555.db2.gz AMSIFDXYLSPSBX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001479777678 1061735582 /nfs/dbraw/zinc/73/55/82/1061735582.db2.gz AMSIFDXYLSPSBX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835598 1061867810 /nfs/dbraw/zinc/86/78/10/1061867810.db2.gz XWKCVJAOJMXHNZ-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001506621396 1062200091 /nfs/dbraw/zinc/20/00/91/1062200091.db2.gz LIDFCLQUQRRRGJ-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480724651 1063251352 /nfs/dbraw/zinc/25/13/52/1063251352.db2.gz KVNZTGVNNVTHCC-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001493837285 1063984466 /nfs/dbraw/zinc/98/44/66/1063984466.db2.gz RYLOBKXFPSOZAR-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001494198738 1064169108 /nfs/dbraw/zinc/16/91/08/1064169108.db2.gz UAEJQFNJXNREJT-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCn2ccnc2)CC1 ZINC001494202490 1064170100 /nfs/dbraw/zinc/17/01/00/1064170100.db2.gz VNVOFPLFFUMZGZ-UHFFFAOYSA-N 2 1 324.856 2.196 20 30 DEEDMP C=C(Cl)CN(C)CC1CCN(C(=O)CCn2ccnc2)CC1 ZINC001494202490 1064170106 /nfs/dbraw/zinc/17/01/06/1064170106.db2.gz VNVOFPLFFUMZGZ-UHFFFAOYSA-N 2 1 324.856 2.196 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567406031 1064184750 /nfs/dbraw/zinc/18/47/50/1064184750.db2.gz NCBMDBADIBLSFQ-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001567648081 1064314293 /nfs/dbraw/zinc/31/42/93/1064314293.db2.gz YUGOWYHLCMYTBQ-SFHVURJKSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+](CCC)C1)C(C)C ZINC001567648081 1064314297 /nfs/dbraw/zinc/31/42/97/1064314297.db2.gz YUGOWYHLCMYTBQ-SFHVURJKSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+](CCC)C1)C(C)C ZINC001567648081 1064314302 /nfs/dbraw/zinc/31/43/02/1064314302.db2.gz YUGOWYHLCMYTBQ-SFHVURJKSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@H](c1ccccc1)N(C)C)C(C)C ZINC001567653074 1064317167 /nfs/dbraw/zinc/31/71/67/1064317167.db2.gz DGGXMQCGOLXBOH-SFHVURJKSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001567653074 1064317180 /nfs/dbraw/zinc/31/71/80/1064317180.db2.gz DGGXMQCGOLXBOH-SFHVURJKSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001567653074 1064317190 /nfs/dbraw/zinc/31/71/90/1064317190.db2.gz DGGXMQCGOLXBOH-SFHVURJKSA-N 2 1 315.461 2.139 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567688982 1064345044 /nfs/dbraw/zinc/34/50/44/1064345044.db2.gz OWTZVHQPLBMIMD-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001567752426 1064403802 /nfs/dbraw/zinc/40/38/02/1064403802.db2.gz RYIJMQLBOVXGOU-UHFFFAOYSA-N 2 1 304.438 2.007 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494739145 1064443957 /nfs/dbraw/zinc/44/39/57/1064443957.db2.gz BVIYTISIAYJUMI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494917568 1064573063 /nfs/dbraw/zinc/57/30/63/1064573063.db2.gz MPSYQOMFQSAJHF-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494917568 1064573075 /nfs/dbraw/zinc/57/30/75/1064573075.db2.gz MPSYQOMFQSAJHF-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001567973638 1064573644 /nfs/dbraw/zinc/57/36/44/1064573644.db2.gz JYGVXXBIULDNQF-JKSUJKDBSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001568043886 1064614675 /nfs/dbraw/zinc/61/46/75/1064614675.db2.gz QEVFAFQCGMPICH-WMZOPIPTSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001568057376 1064623562 /nfs/dbraw/zinc/62/35/62/1064623562.db2.gz SHHUBHNUULZQLM-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001495519883 1064960925 /nfs/dbraw/zinc/96/09/25/1064960925.db2.gz JROCHFXQICVDTF-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001495554796 1064981078 /nfs/dbraw/zinc/98/10/78/1064981078.db2.gz WIPDBPMCJOTSLS-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001621362750 1078173215 /nfs/dbraw/zinc/17/32/15/1078173215.db2.gz PRIBCYITSPODEF-UHFFFAOYSA-N 2 1 311.470 2.082 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001621362750 1078173218 /nfs/dbraw/zinc/17/32/18/1078173218.db2.gz PRIBCYITSPODEF-UHFFFAOYSA-N 2 1 311.470 2.082 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C ZINC001568866104 1065165164 /nfs/dbraw/zinc/16/51/64/1065165164.db2.gz QHWQSZITPCCBHU-TUYSUELWSA-N 2 1 319.493 2.172 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C ZINC001568866104 1065165171 /nfs/dbraw/zinc/16/51/71/1065165171.db2.gz QHWQSZITPCCBHU-TUYSUELWSA-N 2 1 319.493 2.172 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001569018249 1065243920 /nfs/dbraw/zinc/24/39/20/1065243920.db2.gz BNAAUGXJGPTKAC-NXHRZFHOSA-N 2 1 315.461 2.002 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001569175394 1065340396 /nfs/dbraw/zinc/34/03/96/1065340396.db2.gz QNJCPYRNLZPFBK-IAGOWNOFSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569552404 1065586373 /nfs/dbraw/zinc/58/63/73/1065586373.db2.gz DMZXJXLBSMCBEP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569715736 1065688303 /nfs/dbraw/zinc/68/83/03/1065688303.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569715736 1065688305 /nfs/dbraw/zinc/68/83/05/1065688305.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569715736 1065688308 /nfs/dbraw/zinc/68/83/08/1065688308.db2.gz QCYNQOVRKYEKKH-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569820836 1065741825 /nfs/dbraw/zinc/74/18/25/1065741825.db2.gz LAUGZZOEMUPNKA-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001496871513 1065769941 /nfs/dbraw/zinc/76/99/41/1065769941.db2.gz ZJBIENXRJHEATP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569909898 1065811786 /nfs/dbraw/zinc/81/17/86/1065811786.db2.gz KATRUALQNYKFKA-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909898 1065811796 /nfs/dbraw/zinc/81/17/96/1065811796.db2.gz KATRUALQNYKFKA-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909898 1065811806 /nfs/dbraw/zinc/81/18/06/1065811806.db2.gz KATRUALQNYKFKA-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914426 1065820768 /nfs/dbraw/zinc/82/07/68/1065820768.db2.gz FKOQMYBGFCMVEL-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914426 1065820786 /nfs/dbraw/zinc/82/07/86/1065820786.db2.gz FKOQMYBGFCMVEL-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001570123345 1065932679 /nfs/dbraw/zinc/93/26/79/1065932679.db2.gz QHNJYKZNKYCFLA-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001570312723 1066012137 /nfs/dbraw/zinc/01/21/37/1066012137.db2.gz JMSINKGVNNDQEY-QGZVFWFLSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](CC)[NH+](C)C)cc2C1 ZINC001570312723 1066012148 /nfs/dbraw/zinc/01/21/48/1066012148.db2.gz JMSINKGVNNDQEY-QGZVFWFLSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2C1 ZINC001570314049 1066015111 /nfs/dbraw/zinc/01/51/11/1066015111.db2.gz VPEFRDTZVJYLLB-UHFFFAOYSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2C1 ZINC001570314049 1066015119 /nfs/dbraw/zinc/01/51/19/1066015119.db2.gz VPEFRDTZVJYLLB-UHFFFAOYSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001570314049 1066015127 /nfs/dbraw/zinc/01/51/27/1066015127.db2.gz VPEFRDTZVJYLLB-UHFFFAOYSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001570314049 1066015136 /nfs/dbraw/zinc/01/51/36/1066015136.db2.gz VPEFRDTZVJYLLB-UHFFFAOYSA-N 2 1 301.434 2.145 20 30 DEEDMP CCCCCCCC[C@H]([NH3+])C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001577426298 1066840158 /nfs/dbraw/zinc/84/01/58/1066840158.db2.gz LDXAHCNRYUTABI-HNNXBMFYSA-N 2 1 321.469 2.136 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001498999840 1067011975 /nfs/dbraw/zinc/01/19/75/1067011975.db2.gz ICEPQTKLRYEPOH-HOTGVXAUSA-N 2 1 304.438 2.237 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001498999845 1067012346 /nfs/dbraw/zinc/01/23/46/1067012346.db2.gz ICEPQTKLRYEPOH-JKSUJKDBSA-N 2 1 304.438 2.237 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001499514939 1067241553 /nfs/dbraw/zinc/24/15/53/1067241553.db2.gz KQODQBVXBBYKQP-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001499514939 1067241558 /nfs/dbraw/zinc/24/15/58/1067241558.db2.gz KQODQBVXBBYKQP-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001499514939 1067241562 /nfs/dbraw/zinc/24/15/62/1067241562.db2.gz KQODQBVXBBYKQP-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001671309161 1078524573 /nfs/dbraw/zinc/52/45/73/1078524573.db2.gz ZRJHEGSFVYIVGK-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001580057227 1067485024 /nfs/dbraw/zinc/48/50/24/1067485024.db2.gz QCHYNCCETMAZEI-MAUKXSAKSA-N 2 1 317.408 2.416 20 30 DEEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570813971 1068126346 /nfs/dbraw/zinc/12/63/46/1068126346.db2.gz JTNURODPJMRERF-HZPDHXFCSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571683582 1068478697 /nfs/dbraw/zinc/47/86/97/1068478697.db2.gz KDQRWCYGFSIRBW-RDJZCZTQSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571683582 1068478700 /nfs/dbraw/zinc/47/87/00/1068478700.db2.gz KDQRWCYGFSIRBW-RDJZCZTQSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571683582 1068478702 /nfs/dbraw/zinc/47/87/02/1068478702.db2.gz KDQRWCYGFSIRBW-RDJZCZTQSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267295256 1078742244 /nfs/dbraw/zinc/74/22/44/1078742244.db2.gz SILUXYVGXSXXGM-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267295256 1078742250 /nfs/dbraw/zinc/74/22/50/1078742250.db2.gz SILUXYVGXSXXGM-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267295256 1078742254 /nfs/dbraw/zinc/74/22/54/1078742254.db2.gz SILUXYVGXSXXGM-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267297645 1078743150 /nfs/dbraw/zinc/74/31/50/1078743150.db2.gz DYWMDDMLYAIDIK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357863 1078790296 /nfs/dbraw/zinc/79/02/96/1078790296.db2.gz SQZVSYJVPPYPCO-MSOLQXFVSA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267536379 1078966324 /nfs/dbraw/zinc/96/63/24/1078966324.db2.gz RSECNPJLGSICIQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267536379 1078966327 /nfs/dbraw/zinc/96/63/27/1078966327.db2.gz RSECNPJLGSICIQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267536379 1078966330 /nfs/dbraw/zinc/96/63/30/1078966330.db2.gz RSECNPJLGSICIQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274721 1078989293 /nfs/dbraw/zinc/98/92/93/1078989293.db2.gz RFDUNTLSIZNTLK-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267591127 1079103731 /nfs/dbraw/zinc/10/37/31/1079103731.db2.gz AIVULHSOOYRDCW-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001483846243 1079147531 /nfs/dbraw/zinc/14/75/31/1079147531.db2.gz FWDLOSFUOUXEHO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846243 1079147542 /nfs/dbraw/zinc/14/75/42/1079147542.db2.gz FWDLOSFUOUXEHO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846243 1079147544 /nfs/dbraw/zinc/14/75/44/1079147544.db2.gz FWDLOSFUOUXEHO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685136 1079372991 /nfs/dbraw/zinc/37/29/91/1079372991.db2.gz YYAYWHFOIFTFBW-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566490801 1075259122 /nfs/dbraw/zinc/25/91/22/1075259122.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001566490801 1075259126 /nfs/dbraw/zinc/25/91/26/1075259126.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001566490801 1075259129 /nfs/dbraw/zinc/25/91/29/1075259129.db2.gz CYOGDQWTGFUJEQ-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267697670 1079385068 /nfs/dbraw/zinc/38/50/68/1079385068.db2.gz TYSSJCCURUSZSM-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682263 1075315778 /nfs/dbraw/zinc/31/57/78/1075315778.db2.gz SYNGYPDAUBFNRP-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001566735748 1075328991 /nfs/dbraw/zinc/32/89/91/1075328991.db2.gz KGZDIJDVBHXAEH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566735748 1075328998 /nfs/dbraw/zinc/32/89/98/1075328998.db2.gz KGZDIJDVBHXAEH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566735748 1075329002 /nfs/dbraw/zinc/32/90/02/1075329002.db2.gz KGZDIJDVBHXAEH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566739741 1075330815 /nfs/dbraw/zinc/33/08/15/1075330815.db2.gz IKDNOPRZKUEZQR-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267703649 1079391547 /nfs/dbraw/zinc/39/15/47/1079391547.db2.gz SOGNSBDRJHNOBP-IRXDYDNUSA-N 2 1 309.498 2.319 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203775 1075463039 /nfs/dbraw/zinc/46/30/39/1075463039.db2.gz ZUVFJPJBTKTSIC-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203775 1075463040 /nfs/dbraw/zinc/46/30/40/1075463040.db2.gz ZUVFJPJBTKTSIC-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203776 1075463044 /nfs/dbraw/zinc/46/30/44/1075463044.db2.gz ZUVFJPJBTKTSIC-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567203776 1075463046 /nfs/dbraw/zinc/46/30/46/1075463046.db2.gz ZUVFJPJBTKTSIC-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267896999 1079583108 /nfs/dbraw/zinc/58/31/08/1079583108.db2.gz HLAFTBYOZAHPOH-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001484388781 1079583878 /nfs/dbraw/zinc/58/38/78/1079583878.db2.gz KIHXLXNSRHFBKC-ACHSLPGTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001484388781 1079583886 /nfs/dbraw/zinc/58/38/86/1079583886.db2.gz KIHXLXNSRHFBKC-ACHSLPGTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001484388781 1079583895 /nfs/dbraw/zinc/58/38/95/1079583895.db2.gz KIHXLXNSRHFBKC-ACHSLPGTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001267938403 1079620276 /nfs/dbraw/zinc/62/02/76/1079620276.db2.gz VQPZPPCGFZMJOI-GOSISDBHSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484718378 1079743445 /nfs/dbraw/zinc/74/34/45/1079743445.db2.gz PDKWBOAUOAQSIL-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484718378 1079743450 /nfs/dbraw/zinc/74/34/50/1079743450.db2.gz PDKWBOAUOAQSIL-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001485029138 1079922076 /nfs/dbraw/zinc/92/20/76/1079922076.db2.gz IIQQCKSBBKIVNP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485029138 1079922086 /nfs/dbraw/zinc/92/20/86/1079922086.db2.gz IIQQCKSBBKIVNP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485029138 1079922092 /nfs/dbraw/zinc/92/20/92/1079922092.db2.gz IIQQCKSBBKIVNP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001268269290 1080249334 /nfs/dbraw/zinc/24/93/34/1080249334.db2.gz LUYUBYRKDKHONN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268269290 1080249337 /nfs/dbraw/zinc/24/93/37/1080249337.db2.gz LUYUBYRKDKHONN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268269290 1080249346 /nfs/dbraw/zinc/24/93/46/1080249346.db2.gz LUYUBYRKDKHONN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268373706 1080386725 /nfs/dbraw/zinc/38/67/25/1080386725.db2.gz RKKYHOQRACPCKU-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753353 1080440911 /nfs/dbraw/zinc/44/09/11/1080440911.db2.gz SVYNURZWHOJDEC-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001268455002 1080499055 /nfs/dbraw/zinc/49/90/55/1080499055.db2.gz ATGIOCDNYDSOLX-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001482018256 1080691280 /nfs/dbraw/zinc/69/12/80/1080691280.db2.gz NHVHGKFRNMCKMH-TVFCKZIOSA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001663415562 1080743481 /nfs/dbraw/zinc/74/34/81/1080743481.db2.gz KKAYIWPUOVRXRK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001663415562 1080743488 /nfs/dbraw/zinc/74/34/88/1080743488.db2.gz KKAYIWPUOVRXRK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001664667902 1080938597 /nfs/dbraw/zinc/93/85/97/1080938597.db2.gz SBTBZHOSRICQKT-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001664667902 1080938601 /nfs/dbraw/zinc/93/86/01/1080938601.db2.gz SBTBZHOSRICQKT-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001664667902 1080938604 /nfs/dbraw/zinc/93/86/04/1080938604.db2.gz SBTBZHOSRICQKT-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001664859302 1080973818 /nfs/dbraw/zinc/97/38/18/1080973818.db2.gz QRKWZEPXJACBEU-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665545896 1081038670 /nfs/dbraw/zinc/03/86/70/1081038670.db2.gz WWHUCTYWFJZSHL-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665545896 1081038681 /nfs/dbraw/zinc/03/86/81/1081038681.db2.gz WWHUCTYWFJZSHL-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665632489 1081054104 /nfs/dbraw/zinc/05/41/04/1081054104.db2.gz WAYQGTQLWWIFTO-GJZGRUSLSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665632489 1081054111 /nfs/dbraw/zinc/05/41/11/1081054111.db2.gz WAYQGTQLWWIFTO-GJZGRUSLSA-N 2 1 304.438 2.115 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646628 1081056152 /nfs/dbraw/zinc/05/61/52/1081056152.db2.gz AZYNTKYGUHOLNT-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001665731378 1081072577 /nfs/dbraw/zinc/07/25/77/1081072577.db2.gz LFZWVEXMUFAANN-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001665731378 1081072585 /nfs/dbraw/zinc/07/25/85/1081072585.db2.gz LFZWVEXMUFAANN-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001665731378 1081072593 /nfs/dbraw/zinc/07/25/93/1081072593.db2.gz LFZWVEXMUFAANN-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666619627 1081167530 /nfs/dbraw/zinc/16/75/30/1081167530.db2.gz HJZQAYZMQZCNLF-WMLDXEAASA-N 2 1 313.461 2.117 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667133850 1081215267 /nfs/dbraw/zinc/21/52/67/1081215267.db2.gz ACVWXIVINDFFAP-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001482213735 1081217475 /nfs/dbraw/zinc/21/74/75/1081217475.db2.gz XOXHBPJBYZKQFP-CVEARBPZSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001667285476 1081233754 /nfs/dbraw/zinc/23/37/54/1081233754.db2.gz SBIPJVFWAGRPGN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001667695306 1081275104 /nfs/dbraw/zinc/27/51/04/1081275104.db2.gz VZNCGDHBYYKUNB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695306 1081275106 /nfs/dbraw/zinc/27/51/06/1081275106.db2.gz VZNCGDHBYYKUNB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695306 1081275109 /nfs/dbraw/zinc/27/51/09/1081275109.db2.gz VZNCGDHBYYKUNB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001269575784 1081295257 /nfs/dbraw/zinc/29/52/57/1081295257.db2.gz PAVLVLXGXBCBPK-UHFFFAOYSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812634 1081409518 /nfs/dbraw/zinc/40/95/18/1081409518.db2.gz PMLBSDZOLAKHEQ-VSZNYVQBSA-N 2 1 317.477 2.158 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001669811667 1081471499 /nfs/dbraw/zinc/47/14/99/1081471499.db2.gz PDMOIPGKKMQZKW-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001669811667 1081471502 /nfs/dbraw/zinc/47/15/02/1081471502.db2.gz PDMOIPGKKMQZKW-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482283069 1081510203 /nfs/dbraw/zinc/51/02/03/1081510203.db2.gz CDOPKQOIIAWEAU-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001672434297 1081598305 /nfs/dbraw/zinc/59/83/05/1081598305.db2.gz XIOPECWFQJVQTM-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444509 1081714043 /nfs/dbraw/zinc/71/40/43/1081714043.db2.gz UKRPIEYMFGWDNJ-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444509 1081714046 /nfs/dbraw/zinc/71/40/46/1081714046.db2.gz UKRPIEYMFGWDNJ-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444509 1081714050 /nfs/dbraw/zinc/71/40/50/1081714050.db2.gz UKRPIEYMFGWDNJ-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001672915481 1081721940 /nfs/dbraw/zinc/72/19/40/1081721940.db2.gz HVFZSKOOWKAMHO-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001672975038 1081728438 /nfs/dbraw/zinc/72/84/38/1081728438.db2.gz VBMSGJZSIFHJCV-WKILWMFISA-N 2 1 304.438 2.032 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001673449592 1081772408 /nfs/dbraw/zinc/77/24/08/1081772408.db2.gz HGOPGZUHJUCZGP-UHFFFAOYSA-N 2 1 321.509 2.443 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001673449592 1081772414 /nfs/dbraw/zinc/77/24/14/1081772414.db2.gz HGOPGZUHJUCZGP-UHFFFAOYSA-N 2 1 321.509 2.443 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001673449592 1081772422 /nfs/dbraw/zinc/77/24/22/1081772422.db2.gz HGOPGZUHJUCZGP-UHFFFAOYSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001673650574 1081788679 /nfs/dbraw/zinc/78/86/79/1081788679.db2.gz LATMBMHNWKKZHQ-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270965106 1081856771 /nfs/dbraw/zinc/85/67/71/1081856771.db2.gz AEYGEHCOSLVGPU-FUHWJXTLSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001266469723 1082056390 /nfs/dbraw/zinc/05/63/90/1082056390.db2.gz QXGNSIOWLVDGHO-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001266469723 1082056393 /nfs/dbraw/zinc/05/63/93/1082056393.db2.gz QXGNSIOWLVDGHO-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001266469723 1082056400 /nfs/dbraw/zinc/05/64/00/1082056400.db2.gz QXGNSIOWLVDGHO-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266472664 1082060222 /nfs/dbraw/zinc/06/02/22/1082060222.db2.gz OPOGWUHZDSATTJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266472664 1082060228 /nfs/dbraw/zinc/06/02/28/1082060228.db2.gz OPOGWUHZDSATTJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266472664 1082060234 /nfs/dbraw/zinc/06/02/34/1082060234.db2.gz OPOGWUHZDSATTJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001271770036 1082149916 /nfs/dbraw/zinc/14/99/16/1082149916.db2.gz FFIQUAWJDGTYFH-QAQDUYKDSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001670490315 1082151600 /nfs/dbraw/zinc/15/16/00/1082151600.db2.gz JBUIZFKRNBMMFZ-MRXNPFEDSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001271790158 1082154992 /nfs/dbraw/zinc/15/49/92/1082154992.db2.gz HHUHJDJWSGDQAO-GOSISDBHSA-N 2 1 321.509 2.156 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001266613736 1082210795 /nfs/dbraw/zinc/21/07/95/1082210795.db2.gz DMQRYOLLAOVEIB-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001671599606 1082249021 /nfs/dbraw/zinc/24/90/21/1082249021.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001671599606 1082249027 /nfs/dbraw/zinc/24/90/27/1082249027.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001671599606 1082249034 /nfs/dbraw/zinc/24/90/34/1082249034.db2.gz ZCJVNVNRGFSCHC-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658881 1082254316 /nfs/dbraw/zinc/25/43/16/1082254316.db2.gz JMXXPQCEQKKMDO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658882 1082254363 /nfs/dbraw/zinc/25/43/63/1082254363.db2.gz JMXXPQCEQKKMDO-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001266663232 1082257525 /nfs/dbraw/zinc/25/75/25/1082257525.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663232 1082257529 /nfs/dbraw/zinc/25/75/29/1082257529.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663232 1082257533 /nfs/dbraw/zinc/25/75/33/1082257533.db2.gz MACCQBQKZYIJJC-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001266662263 1082258095 /nfs/dbraw/zinc/25/80/95/1082258095.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662263 1082258099 /nfs/dbraw/zinc/25/80/99/1082258099.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662263 1082258102 /nfs/dbraw/zinc/25/81/02/1082258102.db2.gz DEKUVTIYBDAFSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769727 1082332535 /nfs/dbraw/zinc/33/25/35/1082332535.db2.gz GRLMINOUQCLEQM-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769727 1082332539 /nfs/dbraw/zinc/33/25/39/1082332539.db2.gz GRLMINOUQCLEQM-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266903740 1082443592 /nfs/dbraw/zinc/44/35/92/1082443592.db2.gz VUOSTTULTLRTQZ-UXJCHEOYSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266903740 1082443597 /nfs/dbraw/zinc/44/35/97/1082443597.db2.gz VUOSTTULTLRTQZ-UXJCHEOYSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266903740 1082443599 /nfs/dbraw/zinc/44/35/99/1082443599.db2.gz VUOSTTULTLRTQZ-UXJCHEOYSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001272084993 1082444900 /nfs/dbraw/zinc/44/49/00/1082444900.db2.gz GFBIMJXZSUDQRI-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001482669280 1082451862 /nfs/dbraw/zinc/45/18/62/1082451862.db2.gz YYAKGPDIIVCKKG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001482669280 1082451863 /nfs/dbraw/zinc/45/18/63/1082451863.db2.gz YYAKGPDIIVCKKG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001482669280 1082451864 /nfs/dbraw/zinc/45/18/64/1082451864.db2.gz YYAKGPDIIVCKKG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001480904486 1082470903 /nfs/dbraw/zinc/47/09/03/1082470903.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480904486 1082470905 /nfs/dbraw/zinc/47/09/05/1082470905.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001480904486 1082470906 /nfs/dbraw/zinc/47/09/06/1082470906.db2.gz HVURHMSSYDXDAT-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841764 1083641536 /nfs/dbraw/zinc/64/15/36/1083641536.db2.gz YFTDZVKESXMMRU-BBWFWOEESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841764 1083641541 /nfs/dbraw/zinc/64/15/41/1083641541.db2.gz YFTDZVKESXMMRU-BBWFWOEESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001276841764 1083641545 /nfs/dbraw/zinc/64/15/45/1083641545.db2.gz YFTDZVKESXMMRU-BBWFWOEESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001277092759 1083771143 /nfs/dbraw/zinc/77/11/43/1083771143.db2.gz MNYDFCIWGYXZGK-SZMVWBNQSA-N 2 1 315.461 2.350 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277225062 1083855627 /nfs/dbraw/zinc/85/56/27/1083855627.db2.gz QLZYQBNTBJKKMD-VQIMIIECSA-N 2 1 321.509 2.489 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001272762617 1083957496 /nfs/dbraw/zinc/95/74/96/1083957496.db2.gz BCARNWVPWSCTAQ-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001670924372 1084146878 /nfs/dbraw/zinc/14/68/78/1084146878.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924372 1084146883 /nfs/dbraw/zinc/14/68/83/1084146883.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924372 1084146889 /nfs/dbraw/zinc/14/68/89/1084146889.db2.gz XELXSEPMTYFYCZ-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491222927 1084166293 /nfs/dbraw/zinc/16/62/93/1084166293.db2.gz SZWDLZVRUJBGGV-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235330219 1084390739 /nfs/dbraw/zinc/39/07/39/1084390739.db2.gz LBKYPKVQIJXXJQ-HPFXQQBRSA-N 2 1 308.466 2.287 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001272870138 1084400269 /nfs/dbraw/zinc/40/02/69/1084400269.db2.gz IRYLHJMYCSPMLH-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001272870138 1084400273 /nfs/dbraw/zinc/40/02/73/1084400273.db2.gz IRYLHJMYCSPMLH-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486159347 1085099726 /nfs/dbraw/zinc/09/97/26/1085099726.db2.gz GEEKABIMYMGHJR-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001486206034 1085111310 /nfs/dbraw/zinc/11/13/10/1085111310.db2.gz NKBKBJOVJLUVKS-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001494137702 1085162502 /nfs/dbraw/zinc/16/25/02/1085162502.db2.gz NRSLERGPIUGJFD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494137702 1085162504 /nfs/dbraw/zinc/16/25/04/1085162504.db2.gz NRSLERGPIUGJFD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494137702 1085162510 /nfs/dbraw/zinc/16/25/10/1085162510.db2.gz NRSLERGPIUGJFD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1(C)C ZINC001486246312 1085163208 /nfs/dbraw/zinc/16/32/08/1085163208.db2.gz ITLLRACDQRMHQS-APWZRJJASA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001494152264 1085287962 /nfs/dbraw/zinc/28/79/62/1085287962.db2.gz BHQOVLQMOUMUQG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494152264 1085287972 /nfs/dbraw/zinc/28/79/72/1085287972.db2.gz BHQOVLQMOUMUQG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494152264 1085287981 /nfs/dbraw/zinc/28/79/81/1085287981.db2.gz BHQOVLQMOUMUQG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443854 1085735909 /nfs/dbraw/zinc/73/59/09/1085735909.db2.gz XJYZPVHGZOGKIE-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415303 1088049978 /nfs/dbraw/zinc/04/99/78/1088049978.db2.gz KGWIFLYGOMOFTQ-ZACQAIPSSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001114502063 1088180785 /nfs/dbraw/zinc/18/07/85/1088180785.db2.gz NFEAHQPLXHTEOF-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502063 1088180795 /nfs/dbraw/zinc/18/07/95/1088180795.db2.gz NFEAHQPLXHTEOF-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502063 1088180801 /nfs/dbraw/zinc/18/08/01/1088180801.db2.gz NFEAHQPLXHTEOF-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957560988 1088411111 /nfs/dbraw/zinc/41/11/11/1088411111.db2.gz CEZRNJOVTVKLPA-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079845149 1088446299 /nfs/dbraw/zinc/44/62/99/1088446299.db2.gz OJGSXOPPEYSQTG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845149 1088446307 /nfs/dbraw/zinc/44/63/07/1088446307.db2.gz OJGSXOPPEYSQTG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845149 1088446316 /nfs/dbraw/zinc/44/63/16/1088446316.db2.gz OJGSXOPPEYSQTG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849206 1088472556 /nfs/dbraw/zinc/47/25/56/1088472556.db2.gz PZLIVNDIPSKZBD-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849206 1088472559 /nfs/dbraw/zinc/47/25/59/1088472559.db2.gz PZLIVNDIPSKZBD-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849206 1088472567 /nfs/dbraw/zinc/47/25/67/1088472567.db2.gz PZLIVNDIPSKZBD-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310978 1088809360 /nfs/dbraw/zinc/80/93/60/1088809360.db2.gz LWEGQIWLSOXOAP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310978 1088809378 /nfs/dbraw/zinc/80/93/78/1088809378.db2.gz LWEGQIWLSOXOAP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310978 1088809387 /nfs/dbraw/zinc/80/93/87/1088809387.db2.gz LWEGQIWLSOXOAP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828364 1088876704 /nfs/dbraw/zinc/87/67/04/1088876704.db2.gz BKBZHQNNMVCGFP-VVLHAWIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903747 1089085416 /nfs/dbraw/zinc/08/54/16/1089085416.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903747 1089085433 /nfs/dbraw/zinc/08/54/33/1089085433.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903747 1089085448 /nfs/dbraw/zinc/08/54/48/1089085448.db2.gz KGJLUIYWXATARA-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345157 1090272114 /nfs/dbraw/zinc/27/21/14/1090272114.db2.gz WYPWQQOAPDDRCC-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP CCCCCCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275131305 1091571499 /nfs/dbraw/zinc/57/14/99/1091571499.db2.gz OUJKPXASOSPOGJ-ROUUACIJSA-N 2 1 311.514 2.294 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599707 1091901880 /nfs/dbraw/zinc/90/18/80/1091901880.db2.gz JUDMYFGESWFKAX-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001273566357 1091927294 /nfs/dbraw/zinc/92/72/94/1091927294.db2.gz RDGIOYPDINFRGK-UHFFFAOYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001273566357 1091927300 /nfs/dbraw/zinc/92/73/00/1091927300.db2.gz RDGIOYPDINFRGK-UHFFFAOYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775711 1091928586 /nfs/dbraw/zinc/92/85/86/1091928586.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775711 1091928596 /nfs/dbraw/zinc/92/85/96/1091928596.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775711 1091928605 /nfs/dbraw/zinc/92/86/05/1091928605.db2.gz PCUPNPNQGDTURM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197249 1093243477 /nfs/dbraw/zinc/24/34/77/1093243477.db2.gz WUHXUKRKNZHCQK-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001278079094 1138560743 /nfs/dbraw/zinc/56/07/43/1138560743.db2.gz CNJGGZKWCRCYHB-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CCCC)CC1 ZINC001278194737 1138826900 /nfs/dbraw/zinc/82/69/00/1138826900.db2.gz SRYJLUXRCQAZRV-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001319394157 1140562288 /nfs/dbraw/zinc/56/22/88/1140562288.db2.gz CGKCWWAMYIHVOR-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001278432660 1140865211 /nfs/dbraw/zinc/86/52/11/1140865211.db2.gz GSJLJRIOXITBJO-RHSMWYFYSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001278432660 1140865212 /nfs/dbraw/zinc/86/52/12/1140865212.db2.gz GSJLJRIOXITBJO-RHSMWYFYSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001278432660 1140865214 /nfs/dbraw/zinc/86/52/14/1140865214.db2.gz GSJLJRIOXITBJO-RHSMWYFYSA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709184 1141039564 /nfs/dbraw/zinc/03/95/64/1141039564.db2.gz SIQNPVWSSXOJRL-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322347446 1141536982 /nfs/dbraw/zinc/53/69/82/1141536982.db2.gz SRLSXKXQMXDYGX-IAGOWNOFSA-N 2 1 318.465 2.422 20 30 DEEDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCC#N)cc2F)CC1 ZINC001322611313 1141647043 /nfs/dbraw/zinc/64/70/43/1141647043.db2.gz QJSUBEGTZAPJIV-UHFFFAOYSA-N 2 1 304.413 2.361 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001323946064 1141913235 /nfs/dbraw/zinc/91/32/35/1141913235.db2.gz JPUFTNFHTDWTSU-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001323946064 1141913273 /nfs/dbraw/zinc/91/32/73/1141913273.db2.gz JPUFTNFHTDWTSU-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C[C@@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001253586737 1142882931 /nfs/dbraw/zinc/88/29/31/1142882931.db2.gz QWXUBHCURXNILB-UURKPOQGSA-N 2 1 302.462 2.428 20 30 DEEDMP C=C[C@@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001253586737 1142882932 /nfs/dbraw/zinc/88/29/32/1142882932.db2.gz QWXUBHCURXNILB-UURKPOQGSA-N 2 1 302.462 2.428 20 30 DEEDMP C=C[C@@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001253586737 1142882935 /nfs/dbraw/zinc/88/29/35/1142882935.db2.gz QWXUBHCURXNILB-UURKPOQGSA-N 2 1 302.462 2.428 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254514321 1143172781 /nfs/dbraw/zinc/17/27/81/1143172781.db2.gz KIOBBQPQSRIYMJ-INIZCTEOSA-N 2 1 309.454 2.095 20 30 DEEDMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[C@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657674 1143301163 /nfs/dbraw/zinc/30/11/63/1143301163.db2.gz FAIRSBMEORORCP-UONOGXRCSA-N 2 1 301.438 2.234 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001340882338 1143480565 /nfs/dbraw/zinc/48/05/65/1143480565.db2.gz XTAYWBDDYOJBGR-NJAFHUGGSA-N 2 1 315.461 2.449 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001278911776 1143830293 /nfs/dbraw/zinc/83/02/93/1143830293.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001278911776 1143830295 /nfs/dbraw/zinc/83/02/95/1143830295.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001278911776 1143830297 /nfs/dbraw/zinc/83/02/97/1143830297.db2.gz DYGPGFRQQOZFJD-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805949 1144396543 /nfs/dbraw/zinc/39/65/43/1144396543.db2.gz ZAMOZCIFCCRRKX-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805949 1144396544 /nfs/dbraw/zinc/39/65/44/1144396544.db2.gz ZAMOZCIFCCRRKX-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001263863774 1144415831 /nfs/dbraw/zinc/41/58/31/1144415831.db2.gz DGWFPIAFKDCXHZ-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264482291 1144545505 /nfs/dbraw/zinc/54/55/05/1144545505.db2.gz GZPWBGJLKFTLQN-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265670872 1144725646 /nfs/dbraw/zinc/72/56/46/1144725646.db2.gz WQJLHCQSJKLFLQ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266041452 1144798906 /nfs/dbraw/zinc/79/89/06/1144798906.db2.gz VRJWKCCBHFBDSN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCC=C ZINC001266220063 1144815839 /nfs/dbraw/zinc/81/58/39/1144815839.db2.gz MQOTUXZKSRAYCH-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCC=C ZINC001266220063 1144815841 /nfs/dbraw/zinc/81/58/41/1144815841.db2.gz MQOTUXZKSRAYCH-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC=C ZINC001266220063 1144815842 /nfs/dbraw/zinc/81/58/42/1144815842.db2.gz MQOTUXZKSRAYCH-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC=C ZINC001266220063 1144815843 /nfs/dbraw/zinc/81/58/43/1144815843.db2.gz MQOTUXZKSRAYCH-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279387904 1144821591 /nfs/dbraw/zinc/82/15/91/1144821591.db2.gz FBVNQPKRDRDYSG-BDXSIMOUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279387904 1144821592 /nfs/dbraw/zinc/82/15/92/1144821592.db2.gz FBVNQPKRDRDYSG-BDXSIMOUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279387904 1144821593 /nfs/dbraw/zinc/82/15/93/1144821593.db2.gz FBVNQPKRDRDYSG-BDXSIMOUSA-N 2 1 319.493 2.216 20 30 DEEDMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CC[N@H+](C)CC)cc1 ZINC001280355236 1144836491 /nfs/dbraw/zinc/83/64/91/1144836491.db2.gz ZLKUQQQOJFBJGU-MRXNPFEDSA-N 2 1 315.461 2.319 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001281833400 1144915736 /nfs/dbraw/zinc/91/57/36/1144915736.db2.gz LFMQVBUQZOBGNX-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001281833400 1144915740 /nfs/dbraw/zinc/91/57/40/1144915740.db2.gz LFMQVBUQZOBGNX-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001281833400 1144915742 /nfs/dbraw/zinc/91/57/42/1144915742.db2.gz LFMQVBUQZOBGNX-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001282260701 1145025668 /nfs/dbraw/zinc/02/56/68/1145025668.db2.gz LBEAPBOTJNDYEX-ZGUYJTEBSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001282558126 1145087667 /nfs/dbraw/zinc/08/76/67/1145087667.db2.gz MQQNTBQTGCGXHC-ZWKOTPCHSA-N 2 1 321.509 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001282693789 1145129057 /nfs/dbraw/zinc/12/90/57/1145129057.db2.gz RICGLEWQFVQNKJ-RDJZCZTQSA-N 2 1 309.498 2.488 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001283702967 1145601443 /nfs/dbraw/zinc/60/14/43/1145601443.db2.gz PIMRHHSFLSJMEV-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480656466 1146019071 /nfs/dbraw/zinc/01/90/71/1146019071.db2.gz BTGQTYMELINXIX-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965898 1147023882 /nfs/dbraw/zinc/02/38/82/1147023882.db2.gz VLWWLYBUJUDZPS-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317327579 1147336621 /nfs/dbraw/zinc/33/66/21/1147336621.db2.gz VSFUVHFZBPMKFK-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001366715673 1147508487 /nfs/dbraw/zinc/50/84/87/1147508487.db2.gz PFSAHYIVBWVDIN-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001366715673 1147508490 /nfs/dbraw/zinc/50/84/90/1147508490.db2.gz PFSAHYIVBWVDIN-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001366715673 1147508493 /nfs/dbraw/zinc/50/84/93/1147508493.db2.gz PFSAHYIVBWVDIN-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001366715673 1147508485 /nfs/dbraw/zinc/50/84/85/1147508485.db2.gz PFSAHYIVBWVDIN-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204303 1147675997 /nfs/dbraw/zinc/67/59/97/1147675997.db2.gz MGFLFQWUKNYBHP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206978 1147676895 /nfs/dbraw/zinc/67/68/95/1147676895.db2.gz HTAGOVRDCGDNIU-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317373929 1147698553 /nfs/dbraw/zinc/69/85/53/1147698553.db2.gz AQLSNBQMZXAAJY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317373929 1147698555 /nfs/dbraw/zinc/69/85/55/1147698555.db2.gz AQLSNBQMZXAAJY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317373929 1147698557 /nfs/dbraw/zinc/69/85/57/1147698557.db2.gz AQLSNBQMZXAAJY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317436460 1147708235 /nfs/dbraw/zinc/70/82/35/1147708235.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317436460 1147708236 /nfs/dbraw/zinc/70/82/36/1147708236.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317436460 1147708237 /nfs/dbraw/zinc/70/82/37/1147708237.db2.gz RMJNJFOURLMNKA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1=CCCCC1 ZINC001317450010 1147710607 /nfs/dbraw/zinc/71/06/07/1147710607.db2.gz OCIOZFZBKPLQFF-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1=CCCCC1 ZINC001317450010 1147710609 /nfs/dbraw/zinc/71/06/09/1147710609.db2.gz OCIOZFZBKPLQFF-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1=CCCCC1 ZINC001317450010 1147710611 /nfs/dbraw/zinc/71/06/11/1147710611.db2.gz OCIOZFZBKPLQFF-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1=CCCCC1 ZINC001317450010 1147710614 /nfs/dbraw/zinc/71/06/14/1147710614.db2.gz OCIOZFZBKPLQFF-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317509299 1147717658 /nfs/dbraw/zinc/71/76/58/1147717658.db2.gz HTUVVFBDEVIOQJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317762235 1147750307 /nfs/dbraw/zinc/75/03/07/1147750307.db2.gz VMAVKIPERUHNIB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317762235 1147750309 /nfs/dbraw/zinc/75/03/09/1147750309.db2.gz VMAVKIPERUHNIB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317854240 1147757833 /nfs/dbraw/zinc/75/78/33/1147757833.db2.gz OFBGEJZQAABPDC-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP CC[C@]1(C)CCN(C(NC[C@@]2([NH+](C)C)CCSC2)=[NH+]C)C1 ZINC000261859619 529395927 /nfs/dbraw/zinc/39/59/27/529395927.db2.gz ZDOJAGRSWMEIEY-CVEARBPZSA-N 2 1 312.527 2.121 20 30 DEEDMP CNC(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)=[NH+]C ZINC000060169131 354609109 /nfs/dbraw/zinc/60/91/09/354609109.db2.gz BCWKFTWVANKDBV-INIZCTEOSA-N 2 1 304.438 2.017 20 30 DEEDMP COCCNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000066242953 354705706 /nfs/dbraw/zinc/70/57/06/354705706.db2.gz GZEARJREPWCPIC-HNNXBMFYSA-N 2 1 324.856 2.028 20 30 DEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000447545532 239013033 /nfs/dbraw/zinc/01/30/33/239013033.db2.gz XLMUDISJVODNEH-CEXWTWQISA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000447545532 239013040 /nfs/dbraw/zinc/01/30/40/239013040.db2.gz XLMUDISJVODNEH-CEXWTWQISA-N 2 1 313.445 2.295 20 30 DEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000113333506 401776985 /nfs/dbraw/zinc/77/69/85/401776985.db2.gz UVBZQEPAVZMWNQ-UHFFFAOYSA-N 2 1 316.445 2.289 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC(C)C ZINC000130836557 401840026 /nfs/dbraw/zinc/84/00/26/401840026.db2.gz POIPCKHFUANMMW-MRXNPFEDSA-N 2 1 318.465 2.220 20 30 DEEDMP COc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCCC2)cc1 ZINC000060169138 402104907 /nfs/dbraw/zinc/10/49/07/402104907.db2.gz WKBLLCNQRQEJJO-KRWDZBQOSA-N 2 1 316.449 2.289 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393398 402142290 /nfs/dbraw/zinc/14/22/90/402142290.db2.gz GTRIQELOUUHRJN-ZDUSSCGKSA-N 2 1 324.856 2.237 20 30 DEEDMP C[N@@H+](CCCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285512784 403314640 /nfs/dbraw/zinc/31/46/40/403314640.db2.gz RAAMNVJSXUQFDH-UHFFFAOYSA-N 2 1 314.477 2.430 20 30 DEEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000361804672 403874975 /nfs/dbraw/zinc/87/49/75/403874975.db2.gz SZYPGUBMXPQPOA-QGZVFWFLSA-N 2 1 302.466 2.378 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000328108584 404104340 /nfs/dbraw/zinc/10/43/40/404104340.db2.gz NIZOHNIZWSPGPZ-HZPDHXFCSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000328108584 404104346 /nfs/dbraw/zinc/10/43/46/404104346.db2.gz NIZOHNIZWSPGPZ-HZPDHXFCSA-N 2 1 323.481 2.367 20 30 DEEDMP N#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344529817 404207867 /nfs/dbraw/zinc/20/78/67/404207867.db2.gz MVTLBAWKBKOTKE-HXUWFJFHSA-N 2 1 321.424 2.285 20 30 DEEDMP N#Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344529817 404207872 /nfs/dbraw/zinc/20/78/72/404207872.db2.gz MVTLBAWKBKOTKE-HXUWFJFHSA-N 2 1 321.424 2.285 20 30 DEEDMP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000330159176 404568577 /nfs/dbraw/zinc/56/85/77/404568577.db2.gz QSFUTOLPNVWIHB-OAHLLOKOSA-N 2 1 323.481 2.054 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357751052 404743104 /nfs/dbraw/zinc/74/31/04/404743104.db2.gz SQEFEJPLVIVAER-HNNXBMFYSA-N 2 1 310.486 2.055 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358797775 404776261 /nfs/dbraw/zinc/77/62/61/404776261.db2.gz XTXQLUZFVYDXRN-CVEARBPZSA-N 2 1 322.497 2.199 20 30 DEEDMP C=CCNC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000561945212 405952337 /nfs/dbraw/zinc/95/23/37/405952337.db2.gz NILLLAMFOJFFBH-HNNXBMFYSA-N 2 1 321.490 2.112 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805089 406896742 /nfs/dbraw/zinc/89/67/42/406896742.db2.gz MOTMSIYQZMJMSO-NWANDNLSSA-N 2 1 321.490 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328260215 1148756551 /nfs/dbraw/zinc/75/65/51/1148756551.db2.gz RUKIPJARYYJYBU-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654986653 425478470 /nfs/dbraw/zinc/47/84/70/425478470.db2.gz ODBZUOHUODDGFW-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2=[NH+]CCN2C)C1 ZINC000262683705 533694898 /nfs/dbraw/zinc/69/48/98/533694898.db2.gz XMBXIEZFUGTAEG-OAHLLOKOSA-N 2 1 300.450 2.310 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365234227 333399636 /nfs/dbraw/zinc/39/96/36/333399636.db2.gz MWIBUNCLNLZYSG-HXUWFJFHSA-N 2 1 311.473 2.138 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365234227 333399637 /nfs/dbraw/zinc/39/96/37/333399637.db2.gz MWIBUNCLNLZYSG-HXUWFJFHSA-N 2 1 311.473 2.138 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702535 335148275 /nfs/dbraw/zinc/14/82/75/335148275.db2.gz IRTVIPUOKVNLAF-SJORKVTESA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702535 335148276 /nfs/dbraw/zinc/14/82/76/335148276.db2.gz IRTVIPUOKVNLAF-SJORKVTESA-N 2 1 319.493 2.430 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001329826307 1149000235 /nfs/dbraw/zinc/00/02/35/1149000235.db2.gz YBLZZJMTZPXOOY-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955176 1149023431 /nfs/dbraw/zinc/02/34/31/1149023431.db2.gz ZGKCHODTACIKPP-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001330210463 1149070354 /nfs/dbraw/zinc/07/03/54/1149070354.db2.gz POPDXHXRNCLUJH-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001330297934 1149088381 /nfs/dbraw/zinc/08/83/81/1149088381.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001330297934 1149088390 /nfs/dbraw/zinc/08/83/90/1149088390.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001330297934 1149088398 /nfs/dbraw/zinc/08/83/98/1149088398.db2.gz RJZWNHAECIBDCZ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337222263 522041977 /nfs/dbraw/zinc/04/19/77/522041977.db2.gz FMCSCMCNODWFGS-UHFFFAOYSA-N 2 1 317.433 2.363 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337222263 522041988 /nfs/dbraw/zinc/04/19/88/522041988.db2.gz FMCSCMCNODWFGS-UHFFFAOYSA-N 2 1 317.433 2.363 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947045 526393694 /nfs/dbraw/zinc/39/36/94/526393694.db2.gz GFNROBDVXVZFHH-GXTWGEPZSA-N 2 1 306.479 2.204 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC)c1O ZINC000261969963 527238438 /nfs/dbraw/zinc/23/84/38/527238438.db2.gz ICNPQELSWBIMHE-SFHVURJKSA-N 2 1 302.418 2.315 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC)c1O ZINC000261969963 527238444 /nfs/dbraw/zinc/23/84/44/527238444.db2.gz ICNPQELSWBIMHE-SFHVURJKSA-N 2 1 302.418 2.315 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267600 625314884 /nfs/dbraw/zinc/31/48/84/625314884.db2.gz QQGQMWSHJFCQEC-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]12 ZINC001026369158 625367340 /nfs/dbraw/zinc/36/73/40/625367340.db2.gz ULSOZMRFUMYCHM-BZUAXINKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505392 625486639 /nfs/dbraw/zinc/48/66/39/625486639.db2.gz BYHBJJUWNSXKAY-KLAILNCOSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144900 622589439 /nfs/dbraw/zinc/58/94/39/622589439.db2.gz WCDZEKWQYSPZBX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144900 622589441 /nfs/dbraw/zinc/58/94/41/622589441.db2.gz WCDZEKWQYSPZBX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144900 622589443 /nfs/dbraw/zinc/58/94/43/622589443.db2.gz WCDZEKWQYSPZBX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969832840 622942334 /nfs/dbraw/zinc/94/23/34/622942334.db2.gz JWDUBRBUHLMMRX-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970028729 623063058 /nfs/dbraw/zinc/06/30/58/623063058.db2.gz WKOZVMRMKVWIQJ-RDJZCZTQSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970717639 623640229 /nfs/dbraw/zinc/64/02/29/623640229.db2.gz FNWSVJZCIFJBIS-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000970803479 623691336 /nfs/dbraw/zinc/69/13/36/623691336.db2.gz JIMWMBLIIIMCSB-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666388 623922125 /nfs/dbraw/zinc/92/21/25/623922125.db2.gz TVECMKGIJXJAIF-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739090 624021833 /nfs/dbraw/zinc/02/18/33/624021833.db2.gz GKNQYXFVLAJKDJ-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681705 624503373 /nfs/dbraw/zinc/50/33/73/624503373.db2.gz FSGLSUVSJWPXBM-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681705 624503375 /nfs/dbraw/zinc/50/33/75/624503375.db2.gz FSGLSUVSJWPXBM-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681705 624503377 /nfs/dbraw/zinc/50/33/77/624503377.db2.gz FSGLSUVSJWPXBM-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818560 625785033 /nfs/dbraw/zinc/78/50/33/625785033.db2.gz ORZYARZXYADDEM-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818560 625785040 /nfs/dbraw/zinc/78/50/40/625785040.db2.gz ORZYARZXYADDEM-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818560 625785046 /nfs/dbraw/zinc/78/50/46/625785046.db2.gz ORZYARZXYADDEM-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000999308099 634556698 /nfs/dbraw/zinc/55/66/98/634556698.db2.gz PIOALHIPJUVQAM-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999669848 634655194 /nfs/dbraw/zinc/65/51/94/634655194.db2.gz BFNALFCWQQBEJC-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578870 633156364 /nfs/dbraw/zinc/15/63/64/633156364.db2.gz QFMITFHZMGOACM-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578870 633156368 /nfs/dbraw/zinc/15/63/68/633156368.db2.gz QFMITFHZMGOACM-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974660776 633204984 /nfs/dbraw/zinc/20/49/84/633204984.db2.gz WACIEURZFRANGY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996479076 633265500 /nfs/dbraw/zinc/26/55/00/633265500.db2.gz VMVWATQYMGOXTK-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975107333 633422250 /nfs/dbraw/zinc/42/22/50/633422250.db2.gz ZMYDCZLZWVEFAI-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975107333 633422253 /nfs/dbraw/zinc/42/22/53/633422253.db2.gz ZMYDCZLZWVEFAI-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997368584 633719211 /nfs/dbraw/zinc/71/92/11/633719211.db2.gz HJMOJXSKKVCIKP-KRWDZBQOSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027433189 633774983 /nfs/dbraw/zinc/77/49/83/633774983.db2.gz UOGQPMKOGMXWMH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433189 633774988 /nfs/dbraw/zinc/77/49/88/633774988.db2.gz UOGQPMKOGMXWMH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433189 633774996 /nfs/dbraw/zinc/77/49/96/633774996.db2.gz UOGQPMKOGMXWMH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027436754 633783432 /nfs/dbraw/zinc/78/34/32/633783432.db2.gz FIIRJNIWDIJUGM-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436754 633783434 /nfs/dbraw/zinc/78/34/34/633783434.db2.gz FIIRJNIWDIJUGM-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436754 633783438 /nfs/dbraw/zinc/78/34/38/633783438.db2.gz FIIRJNIWDIJUGM-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214369 633880327 /nfs/dbraw/zinc/88/03/27/633880327.db2.gz CPFGLKBJILWCGD-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027547590 634086785 /nfs/dbraw/zinc/08/67/85/634086785.db2.gz TZPDGCKKXMRGFB-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027547590 634086790 /nfs/dbraw/zinc/08/67/90/634086790.db2.gz TZPDGCKKXMRGFB-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027547590 634086796 /nfs/dbraw/zinc/08/67/96/634086796.db2.gz TZPDGCKKXMRGFB-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998013178 634111811 /nfs/dbraw/zinc/11/18/11/634111811.db2.gz PTXRAQDSMTYPMH-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998013178 634111817 /nfs/dbraw/zinc/11/18/17/634111817.db2.gz PTXRAQDSMTYPMH-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(CC)CC ZINC001027944085 635031913 /nfs/dbraw/zinc/03/19/13/635031913.db2.gz SZXGECOLTKJZAH-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001000351737 635153217 /nfs/dbraw/zinc/15/32/17/635153217.db2.gz FDPYKPIXWVJFCE-AWEZNQCLSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950064396 635299140 /nfs/dbraw/zinc/29/91/40/635299140.db2.gz ZQVRGKDXTCNXGJ-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000950064396 635299142 /nfs/dbraw/zinc/29/91/42/635299142.db2.gz ZQVRGKDXTCNXGJ-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001000779092 635308098 /nfs/dbraw/zinc/30/80/98/635308098.db2.gz VULPLXBVWIOARN-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779092 635308103 /nfs/dbraw/zinc/30/81/03/635308103.db2.gz VULPLXBVWIOARN-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779092 635308109 /nfs/dbraw/zinc/30/81/09/635308109.db2.gz VULPLXBVWIOARN-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521826 635521270 /nfs/dbraw/zinc/52/12/70/635521270.db2.gz JTSNHLDAWPEDFF-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001001539606 635525203 /nfs/dbraw/zinc/52/52/03/635525203.db2.gz NQGAOYQTURDREU-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001028144754 635697913 /nfs/dbraw/zinc/69/79/13/635697913.db2.gz BNQDSRQMZMWHKZ-ARFHVFGLSA-N 2 1 316.449 2.070 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002813014 635804583 /nfs/dbraw/zinc/80/45/83/635804583.db2.gz VWUWNYMBZGBOQZ-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013281 635810615 /nfs/dbraw/zinc/81/06/15/635810615.db2.gz PPMHSZOZQIQLFZ-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013281 635810619 /nfs/dbraw/zinc/81/06/19/635810619.db2.gz PPMHSZOZQIQLFZ-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013281 635810621 /nfs/dbraw/zinc/81/06/21/635810621.db2.gz PPMHSZOZQIQLFZ-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC000982042267 635840937 /nfs/dbraw/zinc/84/09/37/635840937.db2.gz JYEFQCOREUWVAM-MRXNPFEDSA-N 2 1 316.449 2.335 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982058088 635848185 /nfs/dbraw/zinc/84/81/85/635848185.db2.gz CVCNXVBSROLJGN-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982058088 635848188 /nfs/dbraw/zinc/84/81/88/635848188.db2.gz CVCNXVBSROLJGN-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000922098316 635863120 /nfs/dbraw/zinc/86/31/20/635863120.db2.gz JFCUFYGHNCIMBA-UHFFFAOYSA-N 2 1 314.477 2.291 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253922 635964483 /nfs/dbraw/zinc/96/44/83/635964483.db2.gz JHVBVGUHAYQAOZ-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267785 635985352 /nfs/dbraw/zinc/98/53/52/635985352.db2.gz OFVIWQLWMUPCCF-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267785 635985355 /nfs/dbraw/zinc/98/53/55/635985355.db2.gz OFVIWQLWMUPCCF-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982672086 636361654 /nfs/dbraw/zinc/36/16/54/636361654.db2.gz RGSYJMSIGAWYPE-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894229072 636506269 /nfs/dbraw/zinc/50/62/69/636506269.db2.gz LZKYQXLELJLFEO-UHFFFAOYSA-N 2 1 309.454 2.093 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642925 636517516 /nfs/dbraw/zinc/51/75/16/636517516.db2.gz VXEPOJHVBRBMNM-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946809159 636664146 /nfs/dbraw/zinc/66/41/46/636664146.db2.gz XEJSMBQISZUCKQ-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303775991 639443103 /nfs/dbraw/zinc/44/31/03/639443103.db2.gz HIXYVCOKJTZIMF-KRWDZBQOSA-N 2 1 318.465 2.332 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956113 640024415 /nfs/dbraw/zinc/02/44/15/640024415.db2.gz JUEYZZHTDUFHEG-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240212 640521029 /nfs/dbraw/zinc/52/10/29/640521029.db2.gz DMBUFSWTGLAQGX-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240212 640521035 /nfs/dbraw/zinc/52/10/35/640521035.db2.gz DMBUFSWTGLAQGX-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240212 640521040 /nfs/dbraw/zinc/52/10/40/640521040.db2.gz DMBUFSWTGLAQGX-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240212 640521044 /nfs/dbraw/zinc/52/10/44/640521044.db2.gz DMBUFSWTGLAQGX-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000764462594 640640077 /nfs/dbraw/zinc/64/00/77/640640077.db2.gz SAQMTNQDCJSLAC-HNNXBMFYSA-N 2 1 321.490 2.194 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433507 641207656 /nfs/dbraw/zinc/20/76/56/641207656.db2.gz KQTYDZXCYXEXEG-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433507 641207657 /nfs/dbraw/zinc/20/76/57/641207657.db2.gz KQTYDZXCYXEXEG-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433507 641207658 /nfs/dbraw/zinc/20/76/58/641207658.db2.gz KQTYDZXCYXEXEG-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000900655410 642435247 /nfs/dbraw/zinc/43/52/47/642435247.db2.gz IZNHYXCSXHDDDT-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C[C@@H]1CNC(NN=CC(C)(C)C[N@@H+](C)Cc2ccccc2)=[NH+]1 ZINC000779791181 642538298 /nfs/dbraw/zinc/53/82/98/642538298.db2.gz GOXQTZNUQRUDBV-CQSZACIVSA-N 2 1 301.438 2.068 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000901233438 642601357 /nfs/dbraw/zinc/60/13/57/642601357.db2.gz LYKUPKIBLFSJAT-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905098095 643799584 /nfs/dbraw/zinc/79/95/84/643799584.db2.gz QDPYLSXPLNGYRJ-NSHDSACASA-N 2 1 316.314 2.175 20 30 DEEDMP C=CC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000792193430 644087453 /nfs/dbraw/zinc/08/74/53/644087453.db2.gz VLXJJXBOHMWXDI-UHFFFAOYSA-N 2 1 303.450 2.073 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913100097 646268733 /nfs/dbraw/zinc/26/87/33/646268733.db2.gz PMWUPVBDOGKSSI-QAPCUYQASA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991866046 646675965 /nfs/dbraw/zinc/67/59/65/646675965.db2.gz ZFXPDDWQTOUYDE-IEBWSBKVSA-N 2 1 322.412 2.084 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819024821 647566646 /nfs/dbraw/zinc/56/66/46/647566646.db2.gz WGGNJYYHKNQYQF-QGZVFWFLSA-N 2 1 319.405 2.258 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994128950 647791078 /nfs/dbraw/zinc/79/10/78/647791078.db2.gz FDPUHYHRNNXRCZ-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883134 648588894 /nfs/dbraw/zinc/58/88/94/648588894.db2.gz YYFIFVAKDXTQFH-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745720 648932941 /nfs/dbraw/zinc/93/29/41/648932941.db2.gz SVRRKAOZDCWSPG-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372288 649096484 /nfs/dbraw/zinc/09/64/84/649096484.db2.gz BHNIIZPLDFJNEN-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598437 649257178 /nfs/dbraw/zinc/25/71/78/649257178.db2.gz XNBJSBVVDYSIRS-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373292656 1156940214 /nfs/dbraw/zinc/94/02/14/1156940214.db2.gz MIXKATKTSWLQGF-LSDHHAIUSA-N 2 1 315.889 2.105 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCCCC1 ZINC000304753604 685260005 /nfs/dbraw/zinc/26/00/05/685260005.db2.gz LEPNFXVGUFZIID-QGZVFWFLSA-N 2 1 300.450 2.452 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304757658 685260165 /nfs/dbraw/zinc/26/01/65/685260165.db2.gz PBHMBAHOCQXRSE-QGZVFWFLSA-N 2 1 324.513 2.362 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781494 685261182 /nfs/dbraw/zinc/26/11/82/685261182.db2.gz GITKTWUBPKABPB-DOTOQJQBSA-N 2 1 302.466 2.487 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000304813451 685262252 /nfs/dbraw/zinc/26/22/52/685262252.db2.gz YZGUCZHSEAIORY-CVEARBPZSA-N 2 1 318.465 2.151 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317711 684297106 /nfs/dbraw/zinc/29/71/06/684297106.db2.gz TTZIPIJUSVJQFE-GOSISDBHSA-N 2 1 314.477 2.180 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177651 693872771 /nfs/dbraw/zinc/87/27/71/693872771.db2.gz PLSVTOPQHQNHPF-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303768139 685233193 /nfs/dbraw/zinc/23/31/93/685233193.db2.gz ACBZNWOZRNIKTB-QGZVFWFLSA-N 2 1 318.465 2.332 20 30 DEEDMP CC(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000303896658 685239125 /nfs/dbraw/zinc/23/91/25/685239125.db2.gz QCKBDYJLBJFHIB-UHFFFAOYSA-N 2 1 302.466 2.384 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215694 685683277 /nfs/dbraw/zinc/68/32/77/685683277.db2.gz ONOFGNUXHWVPQW-UHFFFAOYSA-N 2 1 315.461 2.381 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215694 685683278 /nfs/dbraw/zinc/68/32/78/685683278.db2.gz ONOFGNUXHWVPQW-UHFFFAOYSA-N 2 1 315.461 2.381 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054826560 694054453 /nfs/dbraw/zinc/05/44/53/694054453.db2.gz MPPFFESWVYUMRU-ZBFHGGJFSA-N 2 1 307.482 2.262 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCC(C#N)CC1 ZINC000930062746 694081756 /nfs/dbraw/zinc/08/17/56/694081756.db2.gz YHTBNGHCPXLAOF-ILEACXBISA-N 2 1 305.466 2.500 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611592 687664596 /nfs/dbraw/zinc/66/45/96/687664596.db2.gz DTLCRPCOSLKMDR-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828195 687711892 /nfs/dbraw/zinc/71/18/92/687711892.db2.gz DLOTVFPLKGBYDT-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016972997 687746726 /nfs/dbraw/zinc/74/67/26/687746726.db2.gz ADCLGICOTYCWFR-INIZCTEOSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001017613656 687924300 /nfs/dbraw/zinc/92/43/00/687924300.db2.gz AYYJHOBCTFEJBB-IYBDPMFKSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310877 688107465 /nfs/dbraw/zinc/10/74/65/688107465.db2.gz TXFGDEFNYRBMFC-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310877 688107466 /nfs/dbraw/zinc/10/74/66/688107466.db2.gz TXFGDEFNYRBMFC-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672524 688978038 /nfs/dbraw/zinc/97/80/38/688978038.db2.gz IXJXYXUEYVIZFL-QGZVFWFLSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877596 689648237 /nfs/dbraw/zinc/64/82/37/689648237.db2.gz KJALIUFFIVVGDG-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034008174 689690766 /nfs/dbraw/zinc/69/07/66/689690766.db2.gz SJUXRRGPGZTSFF-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290427 689797151 /nfs/dbraw/zinc/79/71/51/689797151.db2.gz GHPOIBPWQWOEJJ-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000876503486 689841481 /nfs/dbraw/zinc/84/14/81/689841481.db2.gz KZFSPXVORSDYHO-INIZCTEOSA-N 2 1 321.852 2.191 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538513 689891050 /nfs/dbraw/zinc/89/10/50/689891050.db2.gz NZMCNYVMJVUGMW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538513 689891051 /nfs/dbraw/zinc/89/10/51/689891051.db2.gz NZMCNYVMJVUGMW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538513 689891053 /nfs/dbraw/zinc/89/10/53/689891053.db2.gz NZMCNYVMJVUGMW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000876740344 689923000 /nfs/dbraw/zinc/92/30/00/689923000.db2.gz LTCQWBBZOOHOKU-KBPBESRZSA-N 2 1 301.862 2.227 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196239 690056457 /nfs/dbraw/zinc/05/64/57/690056457.db2.gz ZACRELXAGMHSFC-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196239 690056460 /nfs/dbraw/zinc/05/64/60/690056460.db2.gz ZACRELXAGMHSFC-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196239 690056463 /nfs/dbraw/zinc/05/64/63/690056463.db2.gz ZACRELXAGMHSFC-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035247272 690072395 /nfs/dbraw/zinc/07/23/95/690072395.db2.gz VNUCAHGOPYHMOX-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247272 690072397 /nfs/dbraw/zinc/07/23/97/690072397.db2.gz VNUCAHGOPYHMOX-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247272 690072400 /nfs/dbraw/zinc/07/24/00/690072400.db2.gz VNUCAHGOPYHMOX-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708619 690157249 /nfs/dbraw/zinc/15/72/49/690157249.db2.gz XUWRXPCVPGEPJL-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035732574 690163781 /nfs/dbraw/zinc/16/37/81/690163781.db2.gz DZDJDWVYFUWQHA-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP COCC[N@H+](Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000877663870 690182780 /nfs/dbraw/zinc/18/27/80/690182780.db2.gz CFTMUBIVZKTXFE-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037925085 690641829 /nfs/dbraw/zinc/64/18/29/690641829.db2.gz JYVGBQLCMHQSCJ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701027 690900831 /nfs/dbraw/zinc/90/08/31/690900831.db2.gz UTSIUASWDWTGPD-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905749 690962100 /nfs/dbraw/zinc/96/21/00/690962100.db2.gz QZTQGCZVLOFLEQ-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137109 691030553 /nfs/dbraw/zinc/03/05/53/691030553.db2.gz MKKNHEHGDBNQBO-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136673 691030984 /nfs/dbraw/zinc/03/09/84/691030984.db2.gz NGYKCYSGTBCILK-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140455 691031409 /nfs/dbraw/zinc/03/14/09/691031409.db2.gz VGTYGOBBBRZVAZ-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140455 691031412 /nfs/dbraw/zinc/03/14/12/691031412.db2.gz VGTYGOBBBRZVAZ-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140455 691031414 /nfs/dbraw/zinc/03/14/14/691031414.db2.gz VGTYGOBBBRZVAZ-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039297860 691076847 /nfs/dbraw/zinc/07/68/47/691076847.db2.gz BYIMPZIELXZZOF-XYTVBORESA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386867 691094753 /nfs/dbraw/zinc/09/47/53/691094753.db2.gz IXQBPPWDKLZBRV-PMPSAXMXSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001039386867 691094756 /nfs/dbraw/zinc/09/47/56/691094756.db2.gz IXQBPPWDKLZBRV-PMPSAXMXSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405586 691099824 /nfs/dbraw/zinc/09/98/24/691099824.db2.gz BKRYWKPDFMSMDU-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405586 691099827 /nfs/dbraw/zinc/09/98/27/691099827.db2.gz BKRYWKPDFMSMDU-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040211732 691214485 /nfs/dbraw/zinc/21/44/85/691214485.db2.gz YXPNETCOAWNONE-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211732 691214488 /nfs/dbraw/zinc/21/44/88/691214488.db2.gz YXPNETCOAWNONE-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040211732 691214491 /nfs/dbraw/zinc/21/44/91/691214491.db2.gz YXPNETCOAWNONE-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241560 691219254 /nfs/dbraw/zinc/21/92/54/691219254.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241560 691219257 /nfs/dbraw/zinc/21/92/57/691219257.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241560 691219259 /nfs/dbraw/zinc/21/92/59/691219259.db2.gz PDKHARCWYJAAFW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746752 691284724 /nfs/dbraw/zinc/28/47/24/691284724.db2.gz GZJYLMYSLUMSJE-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040939111 691299509 /nfs/dbraw/zinc/29/95/09/691299509.db2.gz MYWFOEVFWDYTTO-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358894 691367334 /nfs/dbraw/zinc/36/73/34/691367334.db2.gz RGHINESMZAACDA-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358894 691367337 /nfs/dbraw/zinc/36/73/37/691367337.db2.gz RGHINESMZAACDA-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358894 691367340 /nfs/dbraw/zinc/36/73/40/691367340.db2.gz RGHINESMZAACDA-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373802 691368095 /nfs/dbraw/zinc/36/80/95/691368095.db2.gz XSKJRRVEJWJPHN-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373802 691368098 /nfs/dbraw/zinc/36/80/98/691368098.db2.gz XSKJRRVEJWJPHN-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373802 691368101 /nfs/dbraw/zinc/36/81/01/691368101.db2.gz XSKJRRVEJWJPHN-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380555 691370123 /nfs/dbraw/zinc/37/01/23/691370123.db2.gz ZUARFIPDHLYSRN-FUHWJXTLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598767 691398975 /nfs/dbraw/zinc/39/89/75/691398975.db2.gz CFHFNXDQBSSOKV-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598767 691398977 /nfs/dbraw/zinc/39/89/77/691398977.db2.gz CFHFNXDQBSSOKV-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598767 691398981 /nfs/dbraw/zinc/39/89/81/691398981.db2.gz CFHFNXDQBSSOKV-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604370 691399539 /nfs/dbraw/zinc/39/95/39/691399539.db2.gz COPYJWLLRDCOAK-SFHVURJKSA-N 2 1 317.433 2.065 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604370 691399543 /nfs/dbraw/zinc/39/95/43/691399543.db2.gz COPYJWLLRDCOAK-SFHVURJKSA-N 2 1 317.433 2.065 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC000883131048 691435854 /nfs/dbraw/zinc/43/58/54/691435854.db2.gz DFKJARXLSOHDLW-UHFFFAOYSA-N 2 1 308.397 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122415 691513990 /nfs/dbraw/zinc/51/39/90/691513990.db2.gz NHRUOOCBUAHJEX-QAPCUYQASA-N 2 1 324.428 2.365 20 30 DEEDMP N#CC1(C[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000885959344 691971772 /nfs/dbraw/zinc/97/17/72/691971772.db2.gz YWKLCLVBMNXFBI-QGZVFWFLSA-N 2 1 305.466 2.382 20 30 DEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738924 692279198 /nfs/dbraw/zinc/27/91/98/692279198.db2.gz FWZBPVDABRSCGE-LJQANCHMSA-N 2 1 322.412 2.090 20 30 DEEDMP CC#CCN1CC[C@@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738924 692279201 /nfs/dbraw/zinc/27/92/01/692279201.db2.gz FWZBPVDABRSCGE-LJQANCHMSA-N 2 1 322.412 2.090 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048589485 692654264 /nfs/dbraw/zinc/65/42/64/692654264.db2.gz JVROGCDYOKIHKF-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589485 692654267 /nfs/dbraw/zinc/65/42/67/692654267.db2.gz JVROGCDYOKIHKF-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589485 692654271 /nfs/dbraw/zinc/65/42/71/692654271.db2.gz JVROGCDYOKIHKF-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049234055 692796562 /nfs/dbraw/zinc/79/65/62/692796562.db2.gz XJIUIYVKOZCUIG-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234055 692796566 /nfs/dbraw/zinc/79/65/66/692796566.db2.gz XJIUIYVKOZCUIG-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234055 692796571 /nfs/dbraw/zinc/79/65/71/692796571.db2.gz XJIUIYVKOZCUIG-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724811 692977046 /nfs/dbraw/zinc/97/70/46/692977046.db2.gz UCCDVLMJLVWWSU-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724811 692977052 /nfs/dbraw/zinc/97/70/52/692977052.db2.gz UCCDVLMJLVWWSU-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724811 692977055 /nfs/dbraw/zinc/97/70/55/692977055.db2.gz UCCDVLMJLVWWSU-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898045 693040615 /nfs/dbraw/zinc/04/06/15/693040615.db2.gz WKXDIHXWFWGHFR-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903816 693043381 /nfs/dbraw/zinc/04/33/81/693043381.db2.gz ZUOVXAUEVXQPSZ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903816 693043384 /nfs/dbraw/zinc/04/33/84/693043384.db2.gz ZUOVXAUEVXQPSZ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444611 693536486 /nfs/dbraw/zinc/53/64/86/693536486.db2.gz GSEDQDOISGBPAX-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444611 693536490 /nfs/dbraw/zinc/53/64/90/693536490.db2.gz GSEDQDOISGBPAX-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444611 693536494 /nfs/dbraw/zinc/53/64/94/693536494.db2.gz GSEDQDOISGBPAX-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052446300 693537099 /nfs/dbraw/zinc/53/70/99/693537099.db2.gz YNNLKVBNIOHOJQ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446300 693537104 /nfs/dbraw/zinc/53/71/04/693537104.db2.gz YNNLKVBNIOHOJQ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446300 693537108 /nfs/dbraw/zinc/53/71/08/693537108.db2.gz YNNLKVBNIOHOJQ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052712522 693600837 /nfs/dbraw/zinc/60/08/37/693600837.db2.gz JPNGEHSCSGJQBQ-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712522 693600842 /nfs/dbraw/zinc/60/08/42/693600842.db2.gz JPNGEHSCSGJQBQ-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712522 693600846 /nfs/dbraw/zinc/60/08/46/693600846.db2.gz JPNGEHSCSGJQBQ-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859272 693634961 /nfs/dbraw/zinc/63/49/61/693634961.db2.gz KRDAKAYAQCYJAS-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859272 693634964 /nfs/dbraw/zinc/63/49/64/693634964.db2.gz KRDAKAYAQCYJAS-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859272 693634965 /nfs/dbraw/zinc/63/49/65/693634965.db2.gz KRDAKAYAQCYJAS-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001331934487 1149781548 /nfs/dbraw/zinc/78/15/48/1149781548.db2.gz XZWGPWCGYVLSAC-UHFFFAOYSA-N 2 1 320.506 2.487 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001331934487 1149781572 /nfs/dbraw/zinc/78/15/72/1149781572.db2.gz XZWGPWCGYVLSAC-UHFFFAOYSA-N 2 1 320.506 2.487 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001333141915 1150006270 /nfs/dbraw/zinc/00/62/70/1150006270.db2.gz QZAHEZNGBYQTAY-ABHNRTSZSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001392074091 1156862504 /nfs/dbraw/zinc/86/25/04/1156862504.db2.gz JBOUEZUVHWRZQN-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001568438709 1157418011 /nfs/dbraw/zinc/41/80/11/1157418011.db2.gz QYTAMEAVWKCDGP-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001375541161 1158807025 /nfs/dbraw/zinc/80/70/25/1158807025.db2.gz CQTCWDYXBXHJEX-HDJSIYSDSA-N 2 1 324.856 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001376621890 1159608016 /nfs/dbraw/zinc/60/80/16/1159608016.db2.gz VUGGVPHWMKNDIN-CQSZACIVSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001376936415 1159850922 /nfs/dbraw/zinc/85/09/22/1159850922.db2.gz OUMDSZKRLNQUDU-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001399389233 1161374657 /nfs/dbraw/zinc/37/46/57/1161374657.db2.gz MNDXXEMVUJQPHQ-LSDHHAIUSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001408129341 1165490155 /nfs/dbraw/zinc/49/01/55/1165490155.db2.gz QZVLPKXNTPGEFZ-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458272 1178586473 /nfs/dbraw/zinc/58/64/73/1178586473.db2.gz XPXOSLRMIHYJSK-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458272 1178586487 /nfs/dbraw/zinc/58/64/87/1178586487.db2.gz XPXOSLRMIHYJSK-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458272 1178586497 /nfs/dbraw/zinc/58/64/97/1178586497.db2.gz XPXOSLRMIHYJSK-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458272 1178586506 /nfs/dbraw/zinc/58/65/06/1178586506.db2.gz XPXOSLRMIHYJSK-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001436498384 1179152245 /nfs/dbraw/zinc/15/22/45/1179152245.db2.gz JHIQFUHJVQMJIC-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886192 790287688 /nfs/dbraw/zinc/28/76/88/790287688.db2.gz JOESZWSBHIXPQO-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886192 790287695 /nfs/dbraw/zinc/28/76/95/790287695.db2.gz JOESZWSBHIXPQO-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886192 790287701 /nfs/dbraw/zinc/28/77/01/790287701.db2.gz JOESZWSBHIXPQO-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001333193341 1150013679 /nfs/dbraw/zinc/01/36/79/1150013679.db2.gz RFOSFKHOHJOBHT-UHFFFAOYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440477 783108671 /nfs/dbraw/zinc/10/86/71/783108671.db2.gz AMFXSBLJKHLILZ-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440477 783108677 /nfs/dbraw/zinc/10/86/77/783108677.db2.gz AMFXSBLJKHLILZ-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1C ZINC000947435684 783134976 /nfs/dbraw/zinc/13/49/76/783134976.db2.gz BGQCGZCJMKXLNE-HOTGVXAUSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536258 783188970 /nfs/dbraw/zinc/18/89/70/783188970.db2.gz ANHFELMVAHAGSL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536258 783188979 /nfs/dbraw/zinc/18/89/79/783188979.db2.gz ANHFELMVAHAGSL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536258 783188989 /nfs/dbraw/zinc/18/89/89/783188989.db2.gz ANHFELMVAHAGSL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208603545 776597560 /nfs/dbraw/zinc/59/75/60/776597560.db2.gz DIEDNIOYGDSKRY-INIZCTEOSA-N 2 1 321.465 2.049 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240389 776792828 /nfs/dbraw/zinc/79/28/28/776792828.db2.gz KGPSUDSYKQZOSL-UHFFFAOYSA-N 2 1 307.482 2.171 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425125 777018717 /nfs/dbraw/zinc/01/87/17/777018717.db2.gz CALQPJAPUMJUQN-IRXDYDNUSA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc2c1CC[C@H]2[NH3+] ZINC001171072666 790563155 /nfs/dbraw/zinc/56/31/55/790563155.db2.gz QOPLDCOBDFCNLV-CVEARBPZSA-N 2 1 317.433 2.271 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682577 778020809 /nfs/dbraw/zinc/02/08/09/778020809.db2.gz WQOQFWUUAHNCPH-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713433 778759725 /nfs/dbraw/zinc/75/97/25/778759725.db2.gz LHFVOWARDBPBEX-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602620 779375079 /nfs/dbraw/zinc/37/50/79/779375079.db2.gz WSFPMGKXXBXIDN-YESZJQIVSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634606 779387495 /nfs/dbraw/zinc/38/74/95/779387495.db2.gz JUOLRBPYENXWAR-DLBZAZTESA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798783 779456086 /nfs/dbraw/zinc/45/60/86/779456086.db2.gz MCGNPEBCXUQWPR-JKSUJKDBSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798783 779456088 /nfs/dbraw/zinc/45/60/88/779456088.db2.gz MCGNPEBCXUQWPR-JKSUJKDBSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088326644 779957833 /nfs/dbraw/zinc/95/78/33/779957833.db2.gz UKFFMYXQGKERMP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441187 780078650 /nfs/dbraw/zinc/07/86/50/780078650.db2.gz NAZALNUMCFKGHR-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441187 780078660 /nfs/dbraw/zinc/07/86/60/780078660.db2.gz NAZALNUMCFKGHR-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441187 780078667 /nfs/dbraw/zinc/07/86/67/780078667.db2.gz NAZALNUMCFKGHR-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088429958 780113776 /nfs/dbraw/zinc/11/37/76/780113776.db2.gz DZGSEVHANPTTMP-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768916 780969116 /nfs/dbraw/zinc/96/91/16/780969116.db2.gz JVPTZEBMFXXXCG-PVAVHDDUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001091112234 790910892 /nfs/dbraw/zinc/91/08/92/790910892.db2.gz MMVDKIURUHHPOQ-JCYILVPMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657201 783329897 /nfs/dbraw/zinc/32/98/97/783329897.db2.gz AXMBDGKGZUHUIY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657201 783329906 /nfs/dbraw/zinc/32/99/06/783329906.db2.gz AXMBDGKGZUHUIY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657201 783329917 /nfs/dbraw/zinc/32/99/17/783329917.db2.gz AXMBDGKGZUHUIY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657201 783329927 /nfs/dbraw/zinc/32/99/27/783329927.db2.gz AXMBDGKGZUHUIY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085638878 783914494 /nfs/dbraw/zinc/91/44/94/783914494.db2.gz CEXZOVYRPOAZDI-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085638878 783914499 /nfs/dbraw/zinc/91/44/99/783914499.db2.gz CEXZOVYRPOAZDI-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085638878 783914508 /nfs/dbraw/zinc/91/45/08/783914508.db2.gz CEXZOVYRPOAZDI-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639816 783918061 /nfs/dbraw/zinc/91/80/61/783918061.db2.gz WPRCLXSGEYARBF-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639816 783918065 /nfs/dbraw/zinc/91/80/65/783918065.db2.gz WPRCLXSGEYARBF-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639816 783918069 /nfs/dbraw/zinc/91/80/69/783918069.db2.gz WPRCLXSGEYARBF-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639816 783918076 /nfs/dbraw/zinc/91/80/76/783918076.db2.gz WPRCLXSGEYARBF-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867057 784626760 /nfs/dbraw/zinc/62/67/60/784626760.db2.gz RCBCFFLKUPGQGG-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867057 784626765 /nfs/dbraw/zinc/62/67/65/784626765.db2.gz RCBCFFLKUPGQGG-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867057 784626771 /nfs/dbraw/zinc/62/67/71/784626771.db2.gz RCBCFFLKUPGQGG-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001086400099 784672565 /nfs/dbraw/zinc/67/25/65/784672565.db2.gz VZFDREUMDXKIFS-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969058896 784709019 /nfs/dbraw/zinc/70/90/19/784709019.db2.gz CHZXSGMBLUWOJC-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058896 784709021 /nfs/dbraw/zinc/70/90/21/784709021.db2.gz CHZXSGMBLUWOJC-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058896 784709026 /nfs/dbraw/zinc/70/90/26/784709026.db2.gz CHZXSGMBLUWOJC-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001007368335 784900874 /nfs/dbraw/zinc/90/08/74/784900874.db2.gz FXZRLAVBTUADNW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368335 784900876 /nfs/dbraw/zinc/90/08/76/784900876.db2.gz FXZRLAVBTUADNW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368335 784900883 /nfs/dbraw/zinc/90/08/83/784900883.db2.gz FXZRLAVBTUADNW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166778 785401252 /nfs/dbraw/zinc/40/12/52/785401252.db2.gz HAIYPQNFWIBJKZ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166778 785401256 /nfs/dbraw/zinc/40/12/56/785401256.db2.gz HAIYPQNFWIBJKZ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530339 785661682 /nfs/dbraw/zinc/66/16/82/785661682.db2.gz UBLUNQMGSMGFON-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555276 785930766 /nfs/dbraw/zinc/93/07/66/785930766.db2.gz JWPJYXLWUZBALQ-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860116 786088520 /nfs/dbraw/zinc/08/85/20/786088520.db2.gz LZYRQILQHFZDEX-VSZNYVQBSA-N 2 1 319.493 2.098 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112837806 786250294 /nfs/dbraw/zinc/25/02/94/786250294.db2.gz WGPSEJNBOWZHLH-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001113257655 786478677 /nfs/dbraw/zinc/47/86/77/786478677.db2.gz DTYZYGNGOUTDNS-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113536247 786666840 /nfs/dbraw/zinc/66/68/40/786666840.db2.gz KCIOFAZKSLDTCY-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015377572 787022336 /nfs/dbraw/zinc/02/23/36/787022336.db2.gz QLZVDZKLLRBYNB-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114299854 787204055 /nfs/dbraw/zinc/20/40/55/787204055.db2.gz YQCJTFVWYOEZHU-DZVNLGKHSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299854 787204059 /nfs/dbraw/zinc/20/40/59/787204059.db2.gz YQCJTFVWYOEZHU-DZVNLGKHSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299854 787204062 /nfs/dbraw/zinc/20/40/62/787204062.db2.gz YQCJTFVWYOEZHU-DZVNLGKHSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304246 787206068 /nfs/dbraw/zinc/20/60/68/787206068.db2.gz NFFZWOCXFYZNAX-OIPACUDHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304246 787206073 /nfs/dbraw/zinc/20/60/73/787206073.db2.gz NFFZWOCXFYZNAX-OIPACUDHSA-N 2 1 316.449 2.019 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210585 787965507 /nfs/dbraw/zinc/96/55/07/787965507.db2.gz IGQZGBDGOYGNCQ-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132486272 788100500 /nfs/dbraw/zinc/10/05/00/788100500.db2.gz MRGLPUUIIAGHIW-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132486272 788100501 /nfs/dbraw/zinc/10/05/01/788100501.db2.gz MRGLPUUIIAGHIW-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC001097590836 788141763 /nfs/dbraw/zinc/14/17/63/788141763.db2.gz LPCCHDRJNPWEKZ-KURKYZTESA-N 2 1 322.412 2.393 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345929 788375350 /nfs/dbraw/zinc/37/53/50/788375350.db2.gz IHABEUKTCLYWJQ-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170872520 789567218 /nfs/dbraw/zinc/56/72/18/789567218.db2.gz XQJLYQWIIPGPCS-YESZJQIVSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974658 789585882 /nfs/dbraw/zinc/58/58/82/789585882.db2.gz SNAVTDOIVOYWFW-ZIAGYGMSSA-N 2 1 303.878 2.344 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071866018 789949706 /nfs/dbraw/zinc/94/97/06/789949706.db2.gz PTJOUFUWXNKGPS-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071866018 789949708 /nfs/dbraw/zinc/94/97/08/789949708.db2.gz PTJOUFUWXNKGPS-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973229 789994625 /nfs/dbraw/zinc/99/46/25/789994625.db2.gz FLBBTTYJMQPHST-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811800 790255949 /nfs/dbraw/zinc/25/59/49/790255949.db2.gz HLCSZTRUXWTFCD-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811800 790255951 /nfs/dbraw/zinc/25/59/51/790255951.db2.gz HLCSZTRUXWTFCD-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811800 790255955 /nfs/dbraw/zinc/25/59/55/790255955.db2.gz HLCSZTRUXWTFCD-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706224 791344249 /nfs/dbraw/zinc/34/42/49/791344249.db2.gz BNXNABLZNJIVMJ-SJORKVTESA-N 2 1 315.461 2.015 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706224 791344256 /nfs/dbraw/zinc/34/42/56/791344256.db2.gz BNXNABLZNJIVMJ-SJORKVTESA-N 2 1 315.461 2.015 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706536 791344312 /nfs/dbraw/zinc/34/43/12/791344312.db2.gz GKXRXGSVXJFETE-SJORKVTESA-N 2 1 315.461 2.015 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706536 791344319 /nfs/dbraw/zinc/34/43/19/791344319.db2.gz GKXRXGSVXJFETE-SJORKVTESA-N 2 1 315.461 2.015 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147657908 791590504 /nfs/dbraw/zinc/59/05/04/791590504.db2.gz HCUXTCAARLVLMJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147657908 791590509 /nfs/dbraw/zinc/59/05/09/791590509.db2.gz HCUXTCAARLVLMJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147657908 791590519 /nfs/dbraw/zinc/59/05/19/791590519.db2.gz HCUXTCAARLVLMJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716558 791742596 /nfs/dbraw/zinc/74/25/96/791742596.db2.gz SGAYOQMCRGDVMO-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716558 791742598 /nfs/dbraw/zinc/74/25/98/791742598.db2.gz SGAYOQMCRGDVMO-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716558 791742603 /nfs/dbraw/zinc/74/26/03/791742603.db2.gz SGAYOQMCRGDVMO-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590402 791778279 /nfs/dbraw/zinc/77/82/79/791778279.db2.gz DQLPYJKGCSFEQL-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091807845 791884532 /nfs/dbraw/zinc/88/45/32/791884532.db2.gz RZKKXHHPEVNQPI-BEFAXECRSA-N 2 1 324.428 2.223 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059530 792066909 /nfs/dbraw/zinc/06/69/09/792066909.db2.gz KXTFMEPGDNHUEK-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092762646 792126224 /nfs/dbraw/zinc/12/62/24/792126224.db2.gz GNSDIFJTPXPMSX-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092762646 792126228 /nfs/dbraw/zinc/12/62/28/792126228.db2.gz GNSDIFJTPXPMSX-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092762646 792126233 /nfs/dbraw/zinc/12/62/33/792126233.db2.gz GNSDIFJTPXPMSX-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321361 792170292 /nfs/dbraw/zinc/17/02/92/792170292.db2.gz VKABONZHFXZQIT-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321361 792170302 /nfs/dbraw/zinc/17/03/02/792170302.db2.gz VKABONZHFXZQIT-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321361 792170313 /nfs/dbraw/zinc/17/03/13/792170313.db2.gz VKABONZHFXZQIT-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099553882 792239384 /nfs/dbraw/zinc/23/93/84/792239384.db2.gz WLSLEGYJGVLOKE-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553882 792239390 /nfs/dbraw/zinc/23/93/90/792239390.db2.gz WLSLEGYJGVLOKE-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553882 792239398 /nfs/dbraw/zinc/23/93/98/792239398.db2.gz WLSLEGYJGVLOKE-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099553706 792240222 /nfs/dbraw/zinc/24/02/22/792240222.db2.gz VRAPZZXNQCDTMT-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553706 792240227 /nfs/dbraw/zinc/24/02/27/792240227.db2.gz VRAPZZXNQCDTMT-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553706 792240230 /nfs/dbraw/zinc/24/02/30/792240230.db2.gz VRAPZZXNQCDTMT-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243563 793083611 /nfs/dbraw/zinc/08/36/11/793083611.db2.gz MWHOUUCWIWXIMD-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243563 793083623 /nfs/dbraw/zinc/08/36/23/793083623.db2.gz MWHOUUCWIWXIMD-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243563 793083633 /nfs/dbraw/zinc/08/36/33/793083633.db2.gz MWHOUUCWIWXIMD-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101361908 793134034 /nfs/dbraw/zinc/13/40/34/793134034.db2.gz LBDUFAZPBGTPBX-AOIWGVFYSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430007 793156598 /nfs/dbraw/zinc/15/65/98/793156598.db2.gz KILTYYNTIJCHJA-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430007 793156604 /nfs/dbraw/zinc/15/66/04/793156604.db2.gz KILTYYNTIJCHJA-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430007 793156609 /nfs/dbraw/zinc/15/66/09/793156609.db2.gz KILTYYNTIJCHJA-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044789 793486049 /nfs/dbraw/zinc/48/60/49/793486049.db2.gz FNQSSNPLZZBUNG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044789 793486053 /nfs/dbraw/zinc/48/60/53/793486053.db2.gz FNQSSNPLZZBUNG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044789 793486058 /nfs/dbraw/zinc/48/60/58/793486058.db2.gz FNQSSNPLZZBUNG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475383 793625487 /nfs/dbraw/zinc/62/54/87/793625487.db2.gz LZJILPBAKSITQE-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882809 794082166 /nfs/dbraw/zinc/08/21/66/794082166.db2.gz XNQVEIABMWPJEN-ROUUACIJSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438650 794092819 /nfs/dbraw/zinc/09/28/19/794092819.db2.gz URJILEKUFGPCMC-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438650 794092828 /nfs/dbraw/zinc/09/28/28/794092828.db2.gz URJILEKUFGPCMC-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438650 794092839 /nfs/dbraw/zinc/09/28/39/794092839.db2.gz URJILEKUFGPCMC-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103445137 794096092 /nfs/dbraw/zinc/09/60/92/794096092.db2.gz ZQKNSAIWVVBUPN-ZACQAIPSSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263464 794171959 /nfs/dbraw/zinc/17/19/59/794171959.db2.gz PXIXXBQQTHCJRI-HIFRSBDPSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658575 794450344 /nfs/dbraw/zinc/45/03/44/794450344.db2.gz GQNVKFPHFDLKTA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658575 794450348 /nfs/dbraw/zinc/45/03/48/794450348.db2.gz GQNVKFPHFDLKTA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658575 794450353 /nfs/dbraw/zinc/45/03/53/794450353.db2.gz GQNVKFPHFDLKTA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658575 794450360 /nfs/dbraw/zinc/45/03/60/794450360.db2.gz GQNVKFPHFDLKTA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016172 794557129 /nfs/dbraw/zinc/55/71/29/794557129.db2.gz FDFURKXVBYLSTR-HNNXBMFYSA-N 2 1 309.841 2.138 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115110981 794681792 /nfs/dbraw/zinc/68/17/92/794681792.db2.gz HXDRYRJNQIWDKJ-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729683 794898205 /nfs/dbraw/zinc/89/82/05/794898205.db2.gz PFCBPWNSDHHITN-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115759372 794910306 /nfs/dbraw/zinc/91/03/06/794910306.db2.gz APHKSYDYTDNUQP-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527541 794941191 /nfs/dbraw/zinc/94/11/91/794941191.db2.gz ODHAHJDELKOPTH-DLBZAZTESA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(=C)C ZINC001178722860 794973460 /nfs/dbraw/zinc/97/34/60/794973460.db2.gz RFAKDUBAXRSWJJ-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(=C)C ZINC001178722860 794973468 /nfs/dbraw/zinc/97/34/68/794973468.db2.gz RFAKDUBAXRSWJJ-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811387 795002510 /nfs/dbraw/zinc/00/25/10/795002510.db2.gz UEARESFVMZLCBD-ZWKOTPCHSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179353135 795097784 /nfs/dbraw/zinc/09/77/84/795097784.db2.gz ASGPUCNLSGQWSL-QGZVFWFLSA-N 2 1 307.482 2.008 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)[C@H]1C ZINC001179688710 795152991 /nfs/dbraw/zinc/15/29/91/795152991.db2.gz FPCVGRWNFIOBRG-YCPHGPKFSA-N 2 1 304.438 2.134 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714041 795162921 /nfs/dbraw/zinc/16/29/21/795162921.db2.gz CLBDDEXTKYCHGS-UHFFFAOYSA-N 2 1 306.454 2.459 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180900057 795387538 /nfs/dbraw/zinc/38/75/38/795387538.db2.gz UGYCJKCOLJFLJY-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120448884 795462323 /nfs/dbraw/zinc/46/23/23/795462323.db2.gz HYPPAFYAWXUTCH-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001121897888 795700924 /nfs/dbraw/zinc/70/09/24/795700924.db2.gz QDKGXVORVUSEPF-QGZVFWFLSA-N 2 1 301.434 2.014 20 30 DEEDMP C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001183497297 795881239 /nfs/dbraw/zinc/88/12/39/795881239.db2.gz VWRZUEKVYNPZRD-HUUCEWRRSA-N 2 1 324.856 2.413 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185090829 796178780 /nfs/dbraw/zinc/17/87/80/796178780.db2.gz NSWAFOWLHMCEKN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185445161 796258749 /nfs/dbraw/zinc/25/87/49/796258749.db2.gz FFWOZRAVMUSERU-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1C#N ZINC001206633530 796931437 /nfs/dbraw/zinc/93/14/37/796931437.db2.gz XNNRAAQMFWJIJZ-ZDUSSCGKSA-N 2 1 304.413 2.324 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1C#N ZINC001206633530 796931440 /nfs/dbraw/zinc/93/14/40/796931440.db2.gz XNNRAAQMFWJIJZ-ZDUSSCGKSA-N 2 1 304.413 2.324 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655136 797050669 /nfs/dbraw/zinc/05/06/69/797050669.db2.gz NSIFHERZXWDKNJ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655136 797050676 /nfs/dbraw/zinc/05/06/76/797050676.db2.gz NSIFHERZXWDKNJ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633443 797232822 /nfs/dbraw/zinc/23/28/22/797232822.db2.gz QTEQTDKZJLKUHT-HOTGVXAUSA-N 2 1 304.438 2.161 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192865443 797457476 /nfs/dbraw/zinc/45/74/76/797457476.db2.gz ASYFFOGZYSMBBV-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192865443 797457479 /nfs/dbraw/zinc/45/74/79/797457479.db2.gz ASYFFOGZYSMBBV-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580118 797566590 /nfs/dbraw/zinc/56/65/90/797566590.db2.gz POPLUVWOFKPTET-CQSZACIVSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580118 797566592 /nfs/dbraw/zinc/56/65/92/797566592.db2.gz POPLUVWOFKPTET-CQSZACIVSA-N 2 1 315.889 2.440 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275734 797697333 /nfs/dbraw/zinc/69/73/33/797697333.db2.gz XOENUWHJHFOYQJ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246930 797699546 /nfs/dbraw/zinc/69/95/46/797699546.db2.gz TUUSPAHWCYEWEC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718100 798096056 /nfs/dbraw/zinc/09/60/56/798096056.db2.gz PSBUKTXCDQZXLY-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158082654 798339515 /nfs/dbraw/zinc/33/95/15/798339515.db2.gz HSRIPRZEOWYHEG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158082654 798339521 /nfs/dbraw/zinc/33/95/21/798339521.db2.gz HSRIPRZEOWYHEG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158082654 798339528 /nfs/dbraw/zinc/33/95/28/798339528.db2.gz HSRIPRZEOWYHEG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186502 798355694 /nfs/dbraw/zinc/35/56/94/798355694.db2.gz SCZLQWXLBFYGMI-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228281 798364402 /nfs/dbraw/zinc/36/44/02/798364402.db2.gz XUYFUCZUFJTLMB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228281 798364407 /nfs/dbraw/zinc/36/44/07/798364407.db2.gz XUYFUCZUFJTLMB-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001158295863 798377308 /nfs/dbraw/zinc/37/73/08/798377308.db2.gz ANCLRGGYAWSFBV-MRXNPFEDSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115153780 798444757 /nfs/dbraw/zinc/44/47/57/798444757.db2.gz ARLJSVWJFYFHPQ-LISAXSMJSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153780 798444762 /nfs/dbraw/zinc/44/47/62/798444762.db2.gz ARLJSVWJFYFHPQ-LISAXSMJSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115153780 798444767 /nfs/dbraw/zinc/44/47/67/798444767.db2.gz ARLJSVWJFYFHPQ-LISAXSMJSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnccc1N1CCCC1 ZINC001199371294 798476089 /nfs/dbraw/zinc/47/60/89/798476089.db2.gz QDMAKRNBEVXHHG-HNNXBMFYSA-N 2 1 314.433 2.062 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371294 798476098 /nfs/dbraw/zinc/47/60/98/798476098.db2.gz QDMAKRNBEVXHHG-HNNXBMFYSA-N 2 1 314.433 2.062 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371294 798476100 /nfs/dbraw/zinc/47/61/00/798476100.db2.gz QDMAKRNBEVXHHG-HNNXBMFYSA-N 2 1 314.433 2.062 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160360637 798678939 /nfs/dbraw/zinc/67/89/39/798678939.db2.gz TZJYQDSFRKWUJV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519240 798698900 /nfs/dbraw/zinc/69/89/00/798698900.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519240 798698904 /nfs/dbraw/zinc/69/89/04/798698904.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519240 798698906 /nfs/dbraw/zinc/69/89/06/798698906.db2.gz XIPGNJBKWIDDQM-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593445 798710373 /nfs/dbraw/zinc/71/03/73/798710373.db2.gz TZYFCOQPJBAMGV-UHFFFAOYSA-N 2 1 317.477 2.329 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001160951530 798769062 /nfs/dbraw/zinc/76/90/62/798769062.db2.gz FZFUWAKXUZOANS-HNNXBMFYSA-N 2 1 311.433 2.051 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030116 798782762 /nfs/dbraw/zinc/78/27/62/798782762.db2.gz WWSPYYXHPQAAMY-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP CCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201776787 798801195 /nfs/dbraw/zinc/80/11/95/798801195.db2.gz LJCVRKUEPMPCRV-UHFFFAOYSA-N 2 1 320.481 2.481 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161207245 798809158 /nfs/dbraw/zinc/80/91/58/798809158.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161207245 798809162 /nfs/dbraw/zinc/80/91/62/798809162.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161207245 798809167 /nfs/dbraw/zinc/80/91/67/798809167.db2.gz RFUGWFVLZFFFPF-KRWDZBQOSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161446075 798861161 /nfs/dbraw/zinc/86/11/61/798861161.db2.gz WKGDKSMEPKWUNJ-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161446075 798861166 /nfs/dbraw/zinc/86/11/66/798861166.db2.gz WKGDKSMEPKWUNJ-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161446075 798861172 /nfs/dbraw/zinc/86/11/72/798861172.db2.gz WKGDKSMEPKWUNJ-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734270 798925781 /nfs/dbraw/zinc/92/57/81/798925781.db2.gz XCEWILGBKVPDTF-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817193 799044022 /nfs/dbraw/zinc/04/40/22/799044022.db2.gz QYCIUACIXNIKOW-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817193 799044030 /nfs/dbraw/zinc/04/40/30/799044030.db2.gz QYCIUACIXNIKOW-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817193 799044038 /nfs/dbraw/zinc/04/40/38/799044038.db2.gz QYCIUACIXNIKOW-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP COc1c(C#N)c(F)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217097 799542575 /nfs/dbraw/zinc/54/25/75/799542575.db2.gz QFFNSOMHGFGUKV-UHFFFAOYSA-N 2 1 320.412 2.144 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424208 799589131 /nfs/dbraw/zinc/58/91/31/799589131.db2.gz IMBORPSUAPJCMQ-BDXSIMOUSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165471859 799734731 /nfs/dbraw/zinc/73/47/31/799734731.db2.gz BYVBAFOEACEXNN-KRWDZBQOSA-N 2 1 321.509 2.417 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421175 800044382 /nfs/dbraw/zinc/04/43/82/800044382.db2.gz ZNDHSIRLOLNYIJ-HOTGVXAUSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586439 800381080 /nfs/dbraw/zinc/38/10/80/800381080.db2.gz SBAZKAPUUDSYMH-UHFFFAOYSA-N 2 1 319.493 2.101 20 30 DEEDMP N#Cc1cccc2c(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001205770447 800416731 /nfs/dbraw/zinc/41/67/31/800416731.db2.gz MYGSNUOMKKTZQP-ZDUSSCGKSA-N 2 1 304.344 2.455 20 30 DEEDMP N#Cc1cccc2c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001205770447 800416737 /nfs/dbraw/zinc/41/67/37/800416737.db2.gz MYGSNUOMKKTZQP-ZDUSSCGKSA-N 2 1 304.344 2.455 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444548 800534275 /nfs/dbraw/zinc/53/42/75/800534275.db2.gz CTZLOPSNQRNTQR-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206586088 800558954 /nfs/dbraw/zinc/55/89/54/800558954.db2.gz NJAXIQMXUVBFMZ-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001206586088 800558958 /nfs/dbraw/zinc/55/89/58/800558958.db2.gz NJAXIQMXUVBFMZ-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001206586088 800558963 /nfs/dbraw/zinc/55/89/63/800558963.db2.gz NJAXIQMXUVBFMZ-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206928939 800631569 /nfs/dbraw/zinc/63/15/69/800631569.db2.gz NZIMHCUWXRHXDW-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206127 801151531 /nfs/dbraw/zinc/15/15/31/801151531.db2.gz YAIDKWKZBABBND-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001209424458 801190887 /nfs/dbraw/zinc/19/08/87/801190887.db2.gz QLROXXJDILPSAK-QZTJIDSGSA-N 2 1 310.482 2.402 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001209424458 801190890 /nfs/dbraw/zinc/19/08/90/801190890.db2.gz QLROXXJDILPSAK-QZTJIDSGSA-N 2 1 310.482 2.402 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001209424458 801190893 /nfs/dbraw/zinc/19/08/93/801190893.db2.gz QLROXXJDILPSAK-QZTJIDSGSA-N 2 1 310.482 2.402 20 30 DEEDMP C=C(Cl)CN1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229200929 801240507 /nfs/dbraw/zinc/24/05/07/801240507.db2.gz YWAXJZIGESMPEC-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229200929 801240514 /nfs/dbraw/zinc/24/05/14/801240514.db2.gz YWAXJZIGESMPEC-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374248 801395500 /nfs/dbraw/zinc/39/55/00/801395500.db2.gz LNNOBEBUPXNCMA-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585633 801426406 /nfs/dbraw/zinc/42/64/06/801426406.db2.gz RNQUMCYGWSAQAD-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211031582 801501198 /nfs/dbraw/zinc/50/11/98/801501198.db2.gz JRQDPIFDJDEPFY-IXDOHACOSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211031582 801501201 /nfs/dbraw/zinc/50/12/01/801501201.db2.gz JRQDPIFDJDEPFY-IXDOHACOSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211031582 801501207 /nfs/dbraw/zinc/50/12/07/801501207.db2.gz JRQDPIFDJDEPFY-IXDOHACOSA-N 2 1 309.498 2.345 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817089 802617434 /nfs/dbraw/zinc/61/74/34/802617434.db2.gz KDUUPBBUAIQGLP-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817089 802617438 /nfs/dbraw/zinc/61/74/38/802617438.db2.gz KDUUPBBUAIQGLP-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817089 802617443 /nfs/dbraw/zinc/61/74/43/802617443.db2.gz KDUUPBBUAIQGLP-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP CCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521339 802700329 /nfs/dbraw/zinc/70/03/29/802700329.db2.gz QTUGZHXFKTXZTG-GOSISDBHSA-N 2 1 307.482 2.149 20 30 DEEDMP C[N+](C)(C)CCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224624500 802887747 /nfs/dbraw/zinc/88/77/47/802887747.db2.gz WSYQFWWUUOPVDH-GOSISDBHSA-N 2 1 302.442 2.245 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225426741 802963996 /nfs/dbraw/zinc/96/39/96/802963996.db2.gz GDHZYLPCKJPFLS-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001227849441 803288220 /nfs/dbraw/zinc/28/82/20/803288220.db2.gz UMJRKPAVSQPGNW-AEFFLSMTSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001227849441 803288226 /nfs/dbraw/zinc/28/82/26/803288226.db2.gz UMJRKPAVSQPGNW-AEFFLSMTSA-N 2 1 317.477 2.019 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228851704 803420960 /nfs/dbraw/zinc/42/09/60/803420960.db2.gz AKTNULGAEZEQCJ-HZPDHXFCSA-N 2 1 316.449 2.047 20 30 DEEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001331016764 1149360313 /nfs/dbraw/zinc/36/03/13/1149360313.db2.gz SHNWVCVZXBSZBF-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001331016764 1149360321 /nfs/dbraw/zinc/36/03/21/1149360321.db2.gz SHNWVCVZXBSZBF-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001331016764 1149360328 /nfs/dbraw/zinc/36/03/28/1149360328.db2.gz SHNWVCVZXBSZBF-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001328097737 1148719307 /nfs/dbraw/zinc/71/93/07/1148719307.db2.gz IMZZICVKAMRRKJ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097737 1148719315 /nfs/dbraw/zinc/71/93/15/1148719315.db2.gz IMZZICVKAMRRKJ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097737 1148719320 /nfs/dbraw/zinc/71/93/20/1148719320.db2.gz IMZZICVKAMRRKJ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001500131179 1058514648 /nfs/dbraw/zinc/51/46/48/1058514648.db2.gz KRIKJVWFANYRKA-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001501140321 1059323656 /nfs/dbraw/zinc/32/36/56/1059323656.db2.gz SXHRUFWIBPCWDB-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001501188430 1059360486 /nfs/dbraw/zinc/36/04/86/1059360486.db2.gz IUWZVCBXGUKUIP-ULQDDVLXSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240623 1059400417 /nfs/dbraw/zinc/40/04/17/1059400417.db2.gz PDLGXYCSLCBPKJ-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001501719962 1059662786 /nfs/dbraw/zinc/66/27/86/1059662786.db2.gz AMCCWSZUYROANF-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001502389277 1060099129 /nfs/dbraw/zinc/09/91/29/1060099129.db2.gz YZYMVDMPLHAIFM-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001502389277 1060099151 /nfs/dbraw/zinc/09/91/51/1060099151.db2.gz YZYMVDMPLHAIFM-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001502389277 1060099172 /nfs/dbraw/zinc/09/91/72/1060099172.db2.gz YZYMVDMPLHAIFM-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001502545758 1060174115 /nfs/dbraw/zinc/17/41/15/1060174115.db2.gz GVIPZAJSDOLEKB-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001502744641 1060267527 /nfs/dbraw/zinc/26/75/27/1060267527.db2.gz HOXHLQDVVLOTAC-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479690295 1061603708 /nfs/dbraw/zinc/60/37/08/1061603708.db2.gz ZWLKVGBOOUKCKI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001506176796 1061712077 /nfs/dbraw/zinc/71/20/77/1061712077.db2.gz IDNAVZXYTGPTHQ-MSOLQXFVSA-N 2 1 321.509 2.345 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480265332 1062562224 /nfs/dbraw/zinc/56/22/24/1062562224.db2.gz IXIGBBWMNWHVKM-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386512 1063209388 /nfs/dbraw/zinc/20/93/88/1063209388.db2.gz LZSIESDYPVKJER-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742719 1063279490 /nfs/dbraw/zinc/27/94/90/1063279490.db2.gz QXDYEDFBMXOKGY-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001493832701 1063981618 /nfs/dbraw/zinc/98/16/18/1063981618.db2.gz YRQUDHKYIQQHAB-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001567643018 1064305936 /nfs/dbraw/zinc/30/59/36/1064305936.db2.gz FLYJBRIXWWGQHS-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001567689978 1064347913 /nfs/dbraw/zinc/34/79/13/1064347913.db2.gz ZVOKGBINEVOPJE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567706400 1064363390 /nfs/dbraw/zinc/36/33/90/1064363390.db2.gz VHEKWJDYNXDLFF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567706400 1064363407 /nfs/dbraw/zinc/36/34/07/1064363407.db2.gz VHEKWJDYNXDLFF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567706400 1064363427 /nfs/dbraw/zinc/36/34/27/1064363427.db2.gz VHEKWJDYNXDLFF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567742520 1064396015 /nfs/dbraw/zinc/39/60/15/1064396015.db2.gz SWCXXSPMILRGJQ-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875368 1064534701 /nfs/dbraw/zinc/53/47/01/1064534701.db2.gz HIRZDRKYLMBKML-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494909498 1064567108 /nfs/dbraw/zinc/56/71/08/1064567108.db2.gz GWVDUDXSGJCNMH-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001494909498 1064567123 /nfs/dbraw/zinc/56/71/23/1064567123.db2.gz GWVDUDXSGJCNMH-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494909498 1064567137 /nfs/dbraw/zinc/56/71/37/1064567137.db2.gz GWVDUDXSGJCNMH-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568139421 1064666804 /nfs/dbraw/zinc/66/68/04/1064666804.db2.gz YOZWRBIHXGTUSD-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001495388555 1064874232 /nfs/dbraw/zinc/87/42/32/1064874232.db2.gz RKVKRWPCETWCEE-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925667 /nfs/dbraw/zinc/92/56/67/1064925667.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925680 /nfs/dbraw/zinc/92/56/80/1064925680.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001568513432 1064925692 /nfs/dbraw/zinc/92/56/92/1064925692.db2.gz LFQDKXKGNAUDQM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928333 /nfs/dbraw/zinc/92/83/33/1064928333.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928350 /nfs/dbraw/zinc/92/83/50/1064928350.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514913 1064928359 /nfs/dbraw/zinc/92/83/59/1064928359.db2.gz DNAMSTKLWUAAMU-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001495602025 1065000384 /nfs/dbraw/zinc/00/03/84/1065000384.db2.gz XNCSLIMBDDDMNE-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001496312825 1065401719 /nfs/dbraw/zinc/40/17/19/1065401719.db2.gz URWUKLCHVLRWLS-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001496312825 1065401727 /nfs/dbraw/zinc/40/17/27/1065401727.db2.gz URWUKLCHVLRWLS-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001569425682 1065502706 /nfs/dbraw/zinc/50/27/06/1065502706.db2.gz PESPCDVACFAXPL-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001496512354 1065523622 /nfs/dbraw/zinc/52/36/22/1065523622.db2.gz DYOVIYNBERMAMV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001496512354 1065523635 /nfs/dbraw/zinc/52/36/35/1065523635.db2.gz DYOVIYNBERMAMV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001496512354 1065523641 /nfs/dbraw/zinc/52/36/41/1065523641.db2.gz DYOVIYNBERMAMV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569467671 1065525175 /nfs/dbraw/zinc/52/51/75/1065525175.db2.gz QYBCNRURCKXHFM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001569496775 1065544305 /nfs/dbraw/zinc/54/43/05/1065544305.db2.gz ZZJZDAPRQIISBP-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001569546114 1065582844 /nfs/dbraw/zinc/58/28/44/1065582844.db2.gz FGSKVWRLWODERV-QGZVFWFLSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001496862564 1065762273 /nfs/dbraw/zinc/76/22/73/1065762273.db2.gz KGEUWMFWPGSZHB-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001496871516 1065768759 /nfs/dbraw/zinc/76/87/59/1065768759.db2.gz ZJBIENXRJHEATP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001569866770 1065777388 /nfs/dbraw/zinc/77/73/88/1065777388.db2.gz FRFIWAFQZGDKCZ-KZNAEPCWSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001569866831 1065777943 /nfs/dbraw/zinc/77/79/43/1065777943.db2.gz HQSJZXMPNIDLTH-QAQDUYKDSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496911282 1065799197 /nfs/dbraw/zinc/79/91/97/1065799197.db2.gz HOJBKAHZRFOTRL-IAGOWNOFSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570005675 1065878132 /nfs/dbraw/zinc/87/81/32/1065878132.db2.gz MJSAIPSICNNBBW-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001570179527 1065957022 /nfs/dbraw/zinc/95/70/22/1065957022.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001570179527 1065957032 /nfs/dbraw/zinc/95/70/32/1065957032.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001570179527 1065957043 /nfs/dbraw/zinc/95/70/43/1065957043.db2.gz PXHHQABKQFQPIB-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599999 1066643048 /nfs/dbraw/zinc/64/30/48/1066643048.db2.gz WZOBMGAUPLKIJK-SJORKVTESA-N 2 1 312.461 2.458 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107669 1078585053 /nfs/dbraw/zinc/58/50/53/1078585053.db2.gz IUVNSKCPZNOURS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267107669 1078585057 /nfs/dbraw/zinc/58/50/57/1078585057.db2.gz IUVNSKCPZNOURS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267107669 1078585059 /nfs/dbraw/zinc/58/50/59/1078585059.db2.gz IUVNSKCPZNOURS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284072797 1078646732 /nfs/dbraw/zinc/64/67/32/1078646732.db2.gz WCNDLVSEVWDNGX-LZLYRXPVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001570805959 1068121751 /nfs/dbraw/zinc/12/17/51/1068121751.db2.gz PWZXHDVEQMPICD-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571326725 1068222118 /nfs/dbraw/zinc/22/21/18/1068222118.db2.gz ZXVCXMIRTRCSPJ-LSDHHAIUSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503715 1068361687 /nfs/dbraw/zinc/36/16/87/1068361687.db2.gz UXFUKRSIHRYVHQ-YJBOKZPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503715 1068361703 /nfs/dbraw/zinc/36/17/03/1068361703.db2.gz UXFUKRSIHRYVHQ-YJBOKZPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503715 1068361720 /nfs/dbraw/zinc/36/17/20/1068361720.db2.gz UXFUKRSIHRYVHQ-YJBOKZPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@H]12 ZINC001571504865 1068364844 /nfs/dbraw/zinc/36/48/44/1068364844.db2.gz JQIWSPCWVNVWLP-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001571504865 1068364857 /nfs/dbraw/zinc/36/48/57/1068364857.db2.gz JQIWSPCWVNVWLP-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001571504865 1068364866 /nfs/dbraw/zinc/36/48/66/1068364866.db2.gz JQIWSPCWVNVWLP-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267350384 1078784865 /nfs/dbraw/zinc/78/48/65/1078784865.db2.gz DISMUUGSUYEWLM-IAGOWNOFSA-N 2 1 301.434 2.104 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267474524 1078894904 /nfs/dbraw/zinc/89/49/04/1078894904.db2.gz ISBAVWJJIRSGTK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267474524 1078894909 /nfs/dbraw/zinc/89/49/09/1078894909.db2.gz ISBAVWJJIRSGTK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267474524 1078894914 /nfs/dbraw/zinc/89/49/14/1078894914.db2.gz ISBAVWJJIRSGTK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+]1CCCCC1)C(C)C ZINC001267512088 1078941804 /nfs/dbraw/zinc/94/18/04/1078941804.db2.gz AEWKBOKZCYODBD-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267547406 1078977656 /nfs/dbraw/zinc/97/76/56/1078977656.db2.gz XERVRGIHLPJLGT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572241 1079041701 /nfs/dbraw/zinc/04/17/01/1079041701.db2.gz XULQIEBTYWNWJO-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572241 1079041706 /nfs/dbraw/zinc/04/17/06/1079041706.db2.gz XULQIEBTYWNWJO-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481050579 1079126533 /nfs/dbraw/zinc/12/65/33/1079126533.db2.gz QDMAXYVGKGGMHO-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001483968838 1079219643 /nfs/dbraw/zinc/21/96/43/1079219643.db2.gz QJZPVFCPKLPWRB-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@](C)(NC(=O)Cn2ccnc2)C1 ZINC001484074646 1079288864 /nfs/dbraw/zinc/28/88/64/1079288864.db2.gz TWMKCBBOBQWQCB-KRWDZBQOSA-N 2 1 306.454 2.434 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001565848407 1075196080 /nfs/dbraw/zinc/19/60/80/1075196080.db2.gz QOZGFCNQMQILDD-CALCHBBNSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001566053095 1075220953 /nfs/dbraw/zinc/22/09/53/1075220953.db2.gz SDCWWDDOYQBPHJ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001566053095 1075220957 /nfs/dbraw/zinc/22/09/57/1075220957.db2.gz SDCWWDDOYQBPHJ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001566053095 1075220958 /nfs/dbraw/zinc/22/09/58/1075220958.db2.gz SDCWWDDOYQBPHJ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682260 1075315506 /nfs/dbraw/zinc/31/55/06/1075315506.db2.gz SYNGYPDAUBFNRP-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001566711789 1075323998 /nfs/dbraw/zinc/32/39/98/1075323998.db2.gz VEVKADNKNLIMLW-QZTJIDSGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001566733649 1075329197 /nfs/dbraw/zinc/32/91/97/1075329197.db2.gz VFGONJJTKQHBDC-ROUUACIJSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001566755773 1075336746 /nfs/dbraw/zinc/33/67/46/1075336746.db2.gz RIQYKUUSUWTCEU-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001566755773 1075336748 /nfs/dbraw/zinc/33/67/48/1075336748.db2.gz RIQYKUUSUWTCEU-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001566755773 1075336750 /nfs/dbraw/zinc/33/67/50/1075336750.db2.gz RIQYKUUSUWTCEU-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001566755773 1075336751 /nfs/dbraw/zinc/33/67/51/1075336751.db2.gz RIQYKUUSUWTCEU-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001566755975 1075337252 /nfs/dbraw/zinc/33/72/52/1075337252.db2.gz YCZCVGCPZPLSGE-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001566755975 1075337256 /nfs/dbraw/zinc/33/72/56/1075337256.db2.gz YCZCVGCPZPLSGE-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001566755975 1075337260 /nfs/dbraw/zinc/33/72/60/1075337260.db2.gz YCZCVGCPZPLSGE-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567195525 1075461066 /nfs/dbraw/zinc/46/10/66/1075461066.db2.gz QWKKAQXCCIGXKO-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001369300187 1148895259 /nfs/dbraw/zinc/89/52/59/1148895259.db2.gz ZKLYHFIPCQWUGW-CYBMUJFWSA-N 2 1 312.845 2.196 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001329458732 1148897456 /nfs/dbraw/zinc/89/74/56/1148897456.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1=CCCCC1 ZINC001329458732 1148897457 /nfs/dbraw/zinc/89/74/57/1148897457.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1=CCCCC1 ZINC001329458732 1148897460 /nfs/dbraw/zinc/89/74/60/1148897460.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1 ZINC001329458732 1148897463 /nfs/dbraw/zinc/89/74/63/1148897463.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001329458732 1148897464 /nfs/dbraw/zinc/89/74/64/1148897464.db2.gz BOMMXSCOWJNEBJ-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484526508 1079640788 /nfs/dbraw/zinc/64/07/88/1079640788.db2.gz FWKIWIMEGDDABT-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481504016 1079961645 /nfs/dbraw/zinc/96/16/45/1079961645.db2.gz KFYDAKWQWJCWKU-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481504016 1079961653 /nfs/dbraw/zinc/96/16/53/1079961653.db2.gz KFYDAKWQWJCWKU-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481504016 1079961660 /nfs/dbraw/zinc/96/16/60/1079961660.db2.gz KFYDAKWQWJCWKU-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481527211 1080002205 /nfs/dbraw/zinc/00/22/05/1080002205.db2.gz QMSQVXHXKUQDGE-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481527211 1080002214 /nfs/dbraw/zinc/00/22/14/1080002214.db2.gz QMSQVXHXKUQDGE-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001485254256 1080089764 /nfs/dbraw/zinc/08/97/64/1080089764.db2.gz ZDNVBNABUHMXIN-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001268124872 1080092377 /nfs/dbraw/zinc/09/23/77/1080092377.db2.gz ZCAMTWXKFVRKCU-WMZOPIPTSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001268221488 1080205881 /nfs/dbraw/zinc/20/58/81/1080205881.db2.gz CTKZTKUSBANJCY-DLBZAZTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001485707102 1080372495 /nfs/dbraw/zinc/37/24/95/1080372495.db2.gz SLUPBSKRDTVWBA-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001660775794 1080395254 /nfs/dbraw/zinc/39/52/54/1080395254.db2.gz GZSNDZRRHHULEL-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001660787454 1080396584 /nfs/dbraw/zinc/39/65/84/1080396584.db2.gz LUJCRGQOTAASJZ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001661236040 1080461931 /nfs/dbraw/zinc/46/19/31/1080461931.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661236040 1080461934 /nfs/dbraw/zinc/46/19/34/1080461934.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661236040 1080461940 /nfs/dbraw/zinc/46/19/40/1080461940.db2.gz SCLYJKFRMZSWSP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001485815571 1080496994 /nfs/dbraw/zinc/49/69/94/1080496994.db2.gz LYZYXTBNSPCLGG-IRXDYDNUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661752956 1080518059 /nfs/dbraw/zinc/51/80/59/1080518059.db2.gz QXIREPNMFQGPSN-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268458302 1080522792 /nfs/dbraw/zinc/52/27/92/1080522792.db2.gz KRLLFRZHZFWFAV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661870727 1080537165 /nfs/dbraw/zinc/53/71/65/1080537165.db2.gz CJMMZQRMPFADJJ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661870727 1080537171 /nfs/dbraw/zinc/53/71/71/1080537171.db2.gz CJMMZQRMPFADJJ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661895365 1080541771 /nfs/dbraw/zinc/54/17/71/1080541771.db2.gz DLVRXCGPDBXZRS-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268472873 1080575942 /nfs/dbraw/zinc/57/59/42/1080575942.db2.gz IBGKQLPKXSPZJO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862250 1080668948 /nfs/dbraw/zinc/66/89/48/1080668948.db2.gz KGMODMHRKVFGPI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662862250 1080668950 /nfs/dbraw/zinc/66/89/50/1080668950.db2.gz KGMODMHRKVFGPI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662862250 1080668954 /nfs/dbraw/zinc/66/89/54/1080668954.db2.gz KGMODMHRKVFGPI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001482062010 1080767111 /nfs/dbraw/zinc/76/71/11/1080767111.db2.gz WUPVEYFTMDSORU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001664841625 1080970042 /nfs/dbraw/zinc/97/00/42/1080970042.db2.gz JMLAOZMSMXCKNR-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001664841625 1080970047 /nfs/dbraw/zinc/97/00/47/1080970047.db2.gz JMLAOZMSMXCKNR-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001664894374 1080978044 /nfs/dbraw/zinc/97/80/44/1080978044.db2.gz UAEJQFNJXNREJT-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001268828578 1081010533 /nfs/dbraw/zinc/01/05/33/1081010533.db2.gz FMEKXRARGRRLDV-HNNXBMFYSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001665833226 1081087453 /nfs/dbraw/zinc/08/74/53/1081087453.db2.gz FHYSXDHKKCDWFS-SJLPKXTDSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001666330198 1081144664 /nfs/dbraw/zinc/14/46/64/1081144664.db2.gz CBZHEXDXJKVWCF-SFHVURJKSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001667702117 1081276293 /nfs/dbraw/zinc/27/62/93/1081276293.db2.gz UIRXKIFBSKLXIF-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001667702117 1081276301 /nfs/dbraw/zinc/27/63/01/1081276301.db2.gz UIRXKIFBSKLXIF-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)C[NH+](C)CCC)C1CCCCCC1 ZINC001269615848 1081308149 /nfs/dbraw/zinc/30/81/49/1081308149.db2.gz AEEOQYKYTIAEGZ-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)C[NH+](C)CCC)C1CCCCCC1 ZINC001269615848 1081308152 /nfs/dbraw/zinc/30/81/52/1081308152.db2.gz AEEOQYKYTIAEGZ-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001668652974 1081376768 /nfs/dbraw/zinc/37/67/68/1081376768.db2.gz YFAMIXDIEXGVDS-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269991639 1081420617 /nfs/dbraw/zinc/42/06/17/1081420617.db2.gz QPBNFNBLEZYPEJ-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001669312932 1081444801 /nfs/dbraw/zinc/44/48/01/1081444801.db2.gz JSRNGYOFWPTDSQ-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001671842848 1081542681 /nfs/dbraw/zinc/54/26/81/1081542681.db2.gz PNXHOBJHCIAZCR-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001673639241 1081788088 /nfs/dbraw/zinc/78/80/88/1081788088.db2.gz FVRLIIMVRWNHBS-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001673639241 1081788094 /nfs/dbraw/zinc/78/80/94/1081788094.db2.gz FVRLIIMVRWNHBS-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001673639241 1081788099 /nfs/dbraw/zinc/78/80/99/1081788099.db2.gz FVRLIIMVRWNHBS-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001270991913 1081866698 /nfs/dbraw/zinc/86/66/98/1081866698.db2.gz QWOVWKWLSNRIDS-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001674611486 1081894015 /nfs/dbraw/zinc/89/40/15/1081894015.db2.gz HMHWHCMEPPNFGL-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001266275410 1081933188 /nfs/dbraw/zinc/93/31/88/1081933188.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266275410 1081933193 /nfs/dbraw/zinc/93/31/93/1081933193.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266275410 1081933199 /nfs/dbraw/zinc/93/31/99/1081933199.db2.gz YDNBTWXQYBUCSK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271285359 1082004412 /nfs/dbraw/zinc/00/44/12/1082004412.db2.gz FFBIRGSABWCTHE-JKSUJKDBSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271286209 1082005966 /nfs/dbraw/zinc/00/59/66/1082005966.db2.gz QZANOSDZOKUJOG-ULQDDVLXSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001266382251 1082009767 /nfs/dbraw/zinc/00/97/67/1082009767.db2.gz KEVLGACRPXLOGE-MRXNPFEDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271646715 1082099051 /nfs/dbraw/zinc/09/90/51/1082099051.db2.gz YPTSCSMGNRQVDA-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001482507398 1082130628 /nfs/dbraw/zinc/13/06/28/1082130628.db2.gz BSGKGXUTAVVMNO-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539644 1082135337 /nfs/dbraw/zinc/13/53/37/1082135337.db2.gz FVBNKSIPNUYXAM-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539643 1082135370 /nfs/dbraw/zinc/13/53/70/1082135370.db2.gz FVBNKSIPNUYXAM-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001671499810 1082160298 /nfs/dbraw/zinc/16/02/98/1082160298.db2.gz JQQORGXVLKFLPX-UHFFFAOYSA-N 2 1 319.493 2.221 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266565384 1082163194 /nfs/dbraw/zinc/16/31/94/1082163194.db2.gz WAHYFNLORVEYJV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266565384 1082163198 /nfs/dbraw/zinc/16/31/98/1082163198.db2.gz WAHYFNLORVEYJV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266565384 1082163200 /nfs/dbraw/zinc/16/32/00/1082163200.db2.gz WAHYFNLORVEYJV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564605 1082200630 /nfs/dbraw/zinc/20/06/30/1082200630.db2.gz SXMIJNXNUBGUAR-WBVHZDCISA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001266663271 1082257624 /nfs/dbraw/zinc/25/76/24/1082257624.db2.gz NFFCPFWZICKKIY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663271 1082257629 /nfs/dbraw/zinc/25/76/29/1082257629.db2.gz NFFCPFWZICKKIY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663271 1082257637 /nfs/dbraw/zinc/25/76/37/1082257637.db2.gz NFFCPFWZICKKIY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860110 1082404575 /nfs/dbraw/zinc/40/45/75/1082404575.db2.gz XLCFZNZMRXNQLG-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609620 1083515864 /nfs/dbraw/zinc/51/58/64/1083515864.db2.gz ZFOJMFFJHDIZJY-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609620 1083515866 /nfs/dbraw/zinc/51/58/66/1083515866.db2.gz ZFOJMFFJHDIZJY-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609620 1083515877 /nfs/dbraw/zinc/51/58/77/1083515877.db2.gz ZFOJMFFJHDIZJY-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614956 1083521845 /nfs/dbraw/zinc/52/18/45/1083521845.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614956 1083521858 /nfs/dbraw/zinc/52/18/58/1083521858.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614956 1083521864 /nfs/dbraw/zinc/52/18/64/1083521864.db2.gz OQQYHEPMYIDVLK-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001276644214 1083530938 /nfs/dbraw/zinc/53/09/38/1083530938.db2.gz ZSCSBWMHMIJREP-SJORKVTESA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001277053539 1083749650 /nfs/dbraw/zinc/74/96/50/1083749650.db2.gz LOTWHWNXNCRQOD-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130016 1084093980 /nfs/dbraw/zinc/09/39/80/1084093980.db2.gz KNEZJLKWWGELRG-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130016 1084093990 /nfs/dbraw/zinc/09/39/90/1084093990.db2.gz KNEZJLKWWGELRG-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277702246 1084102969 /nfs/dbraw/zinc/10/29/69/1084102969.db2.gz JMTQYVPVSIJCAV-ROUUACIJSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923083 1084147083 /nfs/dbraw/zinc/14/70/83/1084147083.db2.gz IJXFZGZZHOTCQV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001491296693 1084216610 /nfs/dbraw/zinc/21/66/10/1084216610.db2.gz OOGQGMHTYUWCHR-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296693 1084216614 /nfs/dbraw/zinc/21/66/14/1084216614.db2.gz OOGQGMHTYUWCHR-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296693 1084216621 /nfs/dbraw/zinc/21/66/21/1084216621.db2.gz OOGQGMHTYUWCHR-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001491338219 1084241207 /nfs/dbraw/zinc/24/12/07/1084241207.db2.gz RNDIEIGXZYXVRK-IECFSIQFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491338219 1084241219 /nfs/dbraw/zinc/24/12/19/1084241219.db2.gz RNDIEIGXZYXVRK-IECFSIQFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491338219 1084241226 /nfs/dbraw/zinc/24/12/26/1084241226.db2.gz RNDIEIGXZYXVRK-IECFSIQFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960149701 1085129553 /nfs/dbraw/zinc/12/95/53/1085129553.db2.gz MZFDRJWECQDRIS-FICVDOATSA-N 2 1 319.474 2.046 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001494137704 1085162199 /nfs/dbraw/zinc/16/21/99/1085162199.db2.gz NRSLERGPIUGJFD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494137704 1085162205 /nfs/dbraw/zinc/16/22/05/1085162205.db2.gz NRSLERGPIUGJFD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494137704 1085162210 /nfs/dbraw/zinc/16/22/10/1085162210.db2.gz NRSLERGPIUGJFD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001486368994 1085237494 /nfs/dbraw/zinc/23/74/94/1085237494.db2.gz GUVRRWUFZPPXBR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001486368994 1085237505 /nfs/dbraw/zinc/23/75/05/1085237505.db2.gz GUVRRWUFZPPXBR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001486368994 1085237516 /nfs/dbraw/zinc/23/75/16/1085237516.db2.gz GUVRRWUFZPPXBR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001486435955 1085311437 /nfs/dbraw/zinc/31/14/37/1085311437.db2.gz TWIXKDLLROTBQC-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001486519579 1085402344 /nfs/dbraw/zinc/40/23/44/1085402344.db2.gz VGKINGXNVJELRB-INIZCTEOSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001486519581 1085402908 /nfs/dbraw/zinc/40/29/08/1085402908.db2.gz VGKINGXNVJELRB-MRXNPFEDSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001486521048 1085404690 /nfs/dbraw/zinc/40/46/90/1085404690.db2.gz NIDSLNNUIXLIOZ-IYBDPMFKSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001486521048 1085404695 /nfs/dbraw/zinc/40/46/95/1085404695.db2.gz NIDSLNNUIXLIOZ-IYBDPMFKSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315770 1086405426 /nfs/dbraw/zinc/40/54/26/1086405426.db2.gz YMKRXIRCSFUKBP-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000963421438 1086449690 /nfs/dbraw/zinc/44/96/90/1086449690.db2.gz SVLLQGHVDRTGJP-UYSNPLJNSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CN1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144849 1086817774 /nfs/dbraw/zinc/81/77/74/1086817774.db2.gz SXDPJZUPOLNFSR-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276325746 1089002558 /nfs/dbraw/zinc/00/25/58/1089002558.db2.gz BKBKWLRHPHFRCS-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080998689 1089272960 /nfs/dbraw/zinc/27/29/60/1089272960.db2.gz JCNCHVSYSRTIGN-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001082612337 1090021333 /nfs/dbraw/zinc/02/13/33/1090021333.db2.gz ICDMGFWJVRZWCD-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001410246402 1090465668 /nfs/dbraw/zinc/46/56/68/1090465668.db2.gz AMVZDAPEJVBUTI-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001410246402 1090465672 /nfs/dbraw/zinc/46/56/72/1090465672.db2.gz AMVZDAPEJVBUTI-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001410246402 1090465678 /nfs/dbraw/zinc/46/56/78/1090465678.db2.gz AMVZDAPEJVBUTI-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049129 1090614176 /nfs/dbraw/zinc/61/41/76/1090614176.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049129 1090614181 /nfs/dbraw/zinc/61/41/81/1090614181.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049129 1090614185 /nfs/dbraw/zinc/61/41/85/1090614185.db2.gz CXQHOQGVVRKNNQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001274894147 1091466734 /nfs/dbraw/zinc/46/67/34/1091466734.db2.gz HGZHYHZQFIVFNA-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001275114731 1091565758 /nfs/dbraw/zinc/56/57/58/1091565758.db2.gz KQUDPIVVTWAFLS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275114731 1091565768 /nfs/dbraw/zinc/56/57/68/1091565768.db2.gz KQUDPIVVTWAFLS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275114731 1091565773 /nfs/dbraw/zinc/56/57/73/1091565773.db2.gz KQUDPIVVTWAFLS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275131291 1091574314 /nfs/dbraw/zinc/57/43/14/1091574314.db2.gz OJWLGXLJXDUBPC-IRXDYDNUSA-N 2 1 321.509 2.489 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898729 /nfs/dbraw/zinc/89/87/29/1091898729.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898739 /nfs/dbraw/zinc/89/87/39/1091898739.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716800 1091898747 /nfs/dbraw/zinc/89/87/47/1091898747.db2.gz FRJGSVNYHUOFGX-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948769763 1091925274 /nfs/dbraw/zinc/92/52/74/1091925274.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948769763 1091925280 /nfs/dbraw/zinc/92/52/80/1091925280.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948769763 1091925287 /nfs/dbraw/zinc/92/52/87/1091925287.db2.gz DMZWHDCADJQHGJ-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001273591574 1091941258 /nfs/dbraw/zinc/94/12/58/1091941258.db2.gz WSJAQWTVHITIIU-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542265 1091959021 /nfs/dbraw/zinc/95/90/21/1091959021.db2.gz FWOKOTYBJHMJCV-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC001198002854 1092032593 /nfs/dbraw/zinc/03/25/93/1092032593.db2.gz VODQZKFXAMIRRO-MRXNPFEDSA-N 2 1 318.465 2.242 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490586581 1093432663 /nfs/dbraw/zinc/43/26/63/1093432663.db2.gz HUNYVQRIUKCMLN-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Cl ZINC001236319920 1138351377 /nfs/dbraw/zinc/35/13/77/1138351377.db2.gz HWMUYSFOPHCZKQ-AOOOYVTPSA-N 2 1 310.854 2.287 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001491752208 1140296393 /nfs/dbraw/zinc/29/63/93/1140296393.db2.gz VNWVGBKZNHOBEJ-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318567477 1140365743 /nfs/dbraw/zinc/36/57/43/1140365743.db2.gz LNLIQPGGWFXLFR-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318806096 1140424496 /nfs/dbraw/zinc/42/44/96/1140424496.db2.gz REDBUHCLNGPOOU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001319918470 1140803754 /nfs/dbraw/zinc/80/37/54/1140803754.db2.gz PJPKSAXGSQYFPK-IRXDYDNUSA-N 2 1 307.482 2.310 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032354 1140850727 /nfs/dbraw/zinc/85/07/27/1140850727.db2.gz SJKCAEFVPRFRLJ-QGZVFWFLSA-N 2 1 311.514 2.125 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708573 1141041241 /nfs/dbraw/zinc/04/12/41/1141041241.db2.gz QETFJXALKFQBKP-SUTQANCOSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246750642 1141049855 /nfs/dbraw/zinc/04/98/55/1141049855.db2.gz ZYIANWFSNXNCFU-XMTFNYHQSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246750642 1141049864 /nfs/dbraw/zinc/04/98/64/1141049864.db2.gz ZYIANWFSNXNCFU-XMTFNYHQSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246750635 1141049883 /nfs/dbraw/zinc/04/98/83/1141049883.db2.gz ZYIANWFSNXNCFU-VSZNYVQBSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246750635 1141049892 /nfs/dbraw/zinc/04/98/92/1141049892.db2.gz ZYIANWFSNXNCFU-VSZNYVQBSA-N 2 1 308.466 2.201 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001321990295 1141377892 /nfs/dbraw/zinc/37/78/92/1141377892.db2.gz GKMYCUWHIGJBIV-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322345653 1141536274 /nfs/dbraw/zinc/53/62/74/1141536274.db2.gz MCSPHUWSJSTTSC-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640247 1141873026 /nfs/dbraw/zinc/87/30/26/1141873026.db2.gz CQITWIQAXYCBBR-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001278639868 1142568007 /nfs/dbraw/zinc/56/80/07/1142568007.db2.gz MYTYNQWBVQXOLB-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C#C[C@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254039443 1143030845 /nfs/dbraw/zinc/03/08/45/1143030845.db2.gz GRDMRFDKRRSMDJ-SFHVURJKSA-N 2 1 312.457 2.359 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076595 1143827773 /nfs/dbraw/zinc/82/77/73/1143827773.db2.gz KOGONJUHFJVHBL-UHFFFAOYSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001263835140 1144406033 /nfs/dbraw/zinc/40/60/33/1144406033.db2.gz HNRJXIDYMLGOAB-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)C)C1 ZINC001263905401 1144422360 /nfs/dbraw/zinc/42/23/60/1144422360.db2.gz XRNQAVBPOIZXLH-KSZLIROESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)C)C1 ZINC001263905401 1144422366 /nfs/dbraw/zinc/42/23/66/1144422366.db2.gz XRNQAVBPOIZXLH-KSZLIROESA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001264365312 1144514081 /nfs/dbraw/zinc/51/40/81/1144514081.db2.gz VJDUBYORUVSKBQ-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001264365312 1144514083 /nfs/dbraw/zinc/51/40/83/1144514083.db2.gz VJDUBYORUVSKBQ-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001264365312 1144514085 /nfs/dbraw/zinc/51/40/85/1144514085.db2.gz VJDUBYORUVSKBQ-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001264365312 1144514089 /nfs/dbraw/zinc/51/40/89/1144514089.db2.gz VJDUBYORUVSKBQ-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001265333729 1144694790 /nfs/dbraw/zinc/69/47/90/1144694790.db2.gz CIFWVQACFJUGPI-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001265621488 1144718915 /nfs/dbraw/zinc/71/89/15/1144718915.db2.gz KZQKLCAVNADJBB-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001266177574 1144811751 /nfs/dbraw/zinc/81/17/51/1144811751.db2.gz HPDXHLPWLINEFJ-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001266177573 1144811770 /nfs/dbraw/zinc/81/17/70/1144811770.db2.gz HPDXHLPWLINEFJ-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279410521 1144822234 /nfs/dbraw/zinc/82/22/34/1144822234.db2.gz ZIAUOTCASMFMJZ-BDXSIMOUSA-N 2 1 321.509 2.318 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567205 1144824709 /nfs/dbraw/zinc/82/47/09/1144824709.db2.gz WMLZZGJEIBRZHA-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001281878941 1144917739 /nfs/dbraw/zinc/91/77/39/1144917739.db2.gz ZHNONDZKRAQRFU-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001282992698 1145227959 /nfs/dbraw/zinc/22/79/59/1145227959.db2.gz LNEFKEUMCDVRGW-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634614 1145392235 /nfs/dbraw/zinc/39/22/35/1145392235.db2.gz JCCDTGFICPIGAH-FFZOFVMBSA-N 2 1 324.472 2.457 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001365272255 1145834332 /nfs/dbraw/zinc/83/43/32/1145834332.db2.gz VSTAGTTXAUORIR-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001365272255 1145834333 /nfs/dbraw/zinc/83/43/33/1145834333.db2.gz VSTAGTTXAUORIR-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001284846277 1145937331 /nfs/dbraw/zinc/93/73/31/1145937331.db2.gz MJFYBYJVPLXCMT-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492154735 1147101743 /nfs/dbraw/zinc/10/17/43/1147101743.db2.gz SKJHYUSSQKZYMJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001492154735 1147101751 /nfs/dbraw/zinc/10/17/51/1147101751.db2.gz SKJHYUSSQKZYMJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001492154735 1147101763 /nfs/dbraw/zinc/10/17/63/1147101763.db2.gz SKJHYUSSQKZYMJ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001366655243 1147447014 /nfs/dbraw/zinc/44/70/14/1147447014.db2.gz VPVHRDZINDEWJC-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001366655243 1147447022 /nfs/dbraw/zinc/44/70/22/1147447022.db2.gz VPVHRDZINDEWJC-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366655243 1147447030 /nfs/dbraw/zinc/44/70/30/1147447030.db2.gz VPVHRDZINDEWJC-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366655243 1147447042 /nfs/dbraw/zinc/44/70/42/1147447042.db2.gz VPVHRDZINDEWJC-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317373930 1147698505 /nfs/dbraw/zinc/69/85/05/1147698505.db2.gz AQLSNBQMZXAAJY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317373930 1147698508 /nfs/dbraw/zinc/69/85/08/1147698508.db2.gz AQLSNBQMZXAAJY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317373930 1147698510 /nfs/dbraw/zinc/69/85/10/1147698510.db2.gz AQLSNBQMZXAAJY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317436461 1147707999 /nfs/dbraw/zinc/70/79/99/1147707999.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317436461 1147708002 /nfs/dbraw/zinc/70/80/02/1147708002.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317436461 1147708003 /nfs/dbraw/zinc/70/80/03/1147708003.db2.gz RMJNJFOURLMNKA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001317510080 1147717922 /nfs/dbraw/zinc/71/79/22/1147717922.db2.gz LHZVELDLDZHYCQ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001317510080 1147717924 /nfs/dbraw/zinc/71/79/24/1147717924.db2.gz LHZVELDLDZHYCQ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317869937 1147759457 /nfs/dbraw/zinc/75/94/57/1147759457.db2.gz JDRWKFAGTVLDOH-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001317869937 1147759459 /nfs/dbraw/zinc/75/94/59/1147759459.db2.gz JDRWKFAGTVLDOH-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001317869937 1147759460 /nfs/dbraw/zinc/75/94/60/1147759460.db2.gz JDRWKFAGTVLDOH-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317875635 1147759556 /nfs/dbraw/zinc/75/95/56/1147759556.db2.gz JSZOUJZBMFQIFY-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000277046037 213259744 /nfs/dbraw/zinc/25/97/44/213259744.db2.gz CCKCWHFGSVMJCK-QGZVFWFLSA-N 2 1 314.433 2.303 20 30 DEEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCCCC#N)CC1 ZINC000588752770 357420301 /nfs/dbraw/zinc/42/03/01/357420301.db2.gz KBGSGKKELVVVNL-UHFFFAOYSA-N 2 1 315.421 2.246 20 30 DEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060202 199112789 /nfs/dbraw/zinc/11/27/89/199112789.db2.gz ZZLDXSYMOSVZOY-INIZCTEOSA-N 2 1 323.444 2.390 20 30 DEEDMP C=CC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668493826 540673224 /nfs/dbraw/zinc/67/32/24/540673224.db2.gz RVYVUVSSVUXRMG-MRXNPFEDSA-N 2 1 315.465 2.017 20 30 DEEDMP C=CC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668493826 540673228 /nfs/dbraw/zinc/67/32/28/540673228.db2.gz RVYVUVSSVUXRMG-MRXNPFEDSA-N 2 1 315.465 2.017 20 30 DEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000602634981 360470167 /nfs/dbraw/zinc/47/01/67/360470167.db2.gz VIIOUBGFDJPUST-SJORKVTESA-N 2 1 323.481 2.176 20 30 DEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000602634981 360470170 /nfs/dbraw/zinc/47/01/70/360470170.db2.gz VIIOUBGFDJPUST-SJORKVTESA-N 2 1 323.481 2.176 20 30 DEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798504 133308093 /nfs/dbraw/zinc/30/80/93/133308093.db2.gz ICZOYBRHQRODRA-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626218 133338123 /nfs/dbraw/zinc/33/81/23/133338123.db2.gz MBBYGAALUVBOET-HNNXBMFYSA-N 2 1 318.490 2.220 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129309700 401802214 /nfs/dbraw/zinc/80/22/14/401802214.db2.gz SYVXRMZOOOOAKP-MFKMUULPSA-N 2 1 321.494 2.050 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152340364 402090387 /nfs/dbraw/zinc/09/03/87/402090387.db2.gz JGZIGMGCOZAIEW-INIZCTEOSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152340364 402090390 /nfs/dbraw/zinc/09/03/90/402090390.db2.gz JGZIGMGCOZAIEW-INIZCTEOSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152340364 402090392 /nfs/dbraw/zinc/09/03/92/402090392.db2.gz JGZIGMGCOZAIEW-INIZCTEOSA-N 2 1 317.433 2.219 20 30 DEEDMP COc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCCC2)cc1 ZINC000060169135 402104818 /nfs/dbraw/zinc/10/48/18/402104818.db2.gz WKBLLCNQRQEJJO-QGZVFWFLSA-N 2 1 316.449 2.289 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000170908208 402540818 /nfs/dbraw/zinc/54/08/18/402540818.db2.gz YITURMRBEJHMBQ-OAHLLOKOSA-N 2 1 318.465 2.364 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277416770 403215335 /nfs/dbraw/zinc/21/53/35/403215335.db2.gz FAVZKQUUAPDECH-MRXNPFEDSA-N 2 1 316.449 2.116 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500206 403181458 /nfs/dbraw/zinc/18/14/58/403181458.db2.gz WDKZGAUVNIORFW-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276500206 403181460 /nfs/dbraw/zinc/18/14/60/403181460.db2.gz WDKZGAUVNIORFW-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276500206 403181461 /nfs/dbraw/zinc/18/14/61/403181461.db2.gz WDKZGAUVNIORFW-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070478 403750580 /nfs/dbraw/zinc/75/05/80/403750580.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070478 403750584 /nfs/dbraw/zinc/75/05/84/403750584.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070478 403750587 /nfs/dbraw/zinc/75/05/87/403750587.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070478 403750591 /nfs/dbraw/zinc/75/05/91/403750591.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070478 403750596 /nfs/dbraw/zinc/75/05/96/403750596.db2.gz RZVPJWRHBHYGKJ-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@H](C)Cn1ccnc1)CC2 ZINC000329780886 404450689 /nfs/dbraw/zinc/45/06/89/404450689.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 1 319.453 2.133 20 30 DEEDMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@H](C)Cn1ccnc1)CC2 ZINC000329780886 404450697 /nfs/dbraw/zinc/45/06/97/404450697.db2.gz SEKBGKORIGJFHQ-OAGGEKHMSA-N 2 1 319.453 2.133 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000375886583 404765759 /nfs/dbraw/zinc/76/57/59/404765759.db2.gz AEXOHVNNGXTVDE-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000375886583 404765761 /nfs/dbraw/zinc/76/57/61/404765761.db2.gz AEXOHVNNGXTVDE-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP C=C(C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459003092 405687808 /nfs/dbraw/zinc/68/78/08/405687808.db2.gz OJEZJTJBXSTRIW-INIZCTEOSA-N 2 1 310.486 2.010 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000532016128 406034613 /nfs/dbraw/zinc/03/46/13/406034613.db2.gz BIYMZZLENXSPDJ-HZPDHXFCSA-N 2 1 305.447 2.087 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000571875661 406577551 /nfs/dbraw/zinc/57/75/51/406577551.db2.gz VAHHUJUWHYNZHG-INIZCTEOSA-N 2 1 322.424 2.196 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nn1 ZINC000662295565 425616062 /nfs/dbraw/zinc/61/60/62/425616062.db2.gz VFBYUIKDDDKYRW-INIZCTEOSA-N 2 1 303.454 2.066 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC[NH2+]1 ZINC000662804380 425739438 /nfs/dbraw/zinc/73/94/38/425739438.db2.gz FEYCJBXPETXFTH-KVSKMBFKSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)C1=O ZINC000348302970 275429397 /nfs/dbraw/zinc/42/93/97/275429397.db2.gz OFHDRSXRQTVLAJ-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H](C)COC)c1ccccc1 ZINC000264134515 276118499 /nfs/dbraw/zinc/11/84/99/276118499.db2.gz UVVRNFDARNVEBX-GDBMZVCRSA-N 2 1 306.454 2.009 20 30 DEEDMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263096532 277073245 /nfs/dbraw/zinc/07/32/45/277073245.db2.gz JLGWQGIFXLDGPI-GDBMZVCRSA-N 2 1 316.449 2.146 20 30 DEEDMP C[NH+](C)CCCN(CCC#N)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547732440 341229314 /nfs/dbraw/zinc/22/93/14/341229314.db2.gz BHZJHAOSTLNHMD-UHFFFAOYSA-N 2 1 322.497 2.335 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000566107336 341547973 /nfs/dbraw/zinc/54/79/73/341547973.db2.gz IEDIVCVWYYXBLF-QGZVFWFLSA-N 2 1 308.853 2.483 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001378444488 1152331191 /nfs/dbraw/zinc/33/11/91/1152331191.db2.gz NADRFJMXKVTGLE-CABCVRRESA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001330022885 1149035549 /nfs/dbraw/zinc/03/55/49/1149035549.db2.gz VJLOZDRSKZGYRC-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1 ZINC000267406070 533989251 /nfs/dbraw/zinc/98/92/51/533989251.db2.gz GXXOEDAOGUZOEU-UHFFFAOYSA-N 2 1 301.394 2.407 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247177836 527264743 /nfs/dbraw/zinc/26/47/43/527264743.db2.gz KWQRLHDTJHSJSU-FUHWJXTLSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247177836 527264748 /nfs/dbraw/zinc/26/47/48/527264748.db2.gz KWQRLHDTJHSJSU-FUHWJXTLSA-N 2 1 318.461 2.038 20 30 DEEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262680333 528232249 /nfs/dbraw/zinc/23/22/49/528232249.db2.gz VTMFNRZEKPONPW-GOEBONIOSA-N 2 1 316.449 2.289 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCc1nc(C)cs1 ZINC000264248217 529070466 /nfs/dbraw/zinc/07/04/66/529070466.db2.gz GNOKRFGDMSSFPC-CQSZACIVSA-N 2 1 323.510 2.163 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(OC)c1 ZINC000264255650 529070670 /nfs/dbraw/zinc/07/06/70/529070670.db2.gz IDKGTNMUHKATBF-MRXNPFEDSA-N 2 1 318.465 2.016 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436124 529100661 /nfs/dbraw/zinc/10/06/61/529100661.db2.gz NUWWQIIYHHYSKD-KGLIPLIRSA-N 2 1 308.495 2.315 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264093717 529349751 /nfs/dbraw/zinc/34/97/51/529349751.db2.gz LXQQDBBPSZGZLD-CABCVRRESA-N 2 1 318.465 2.110 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264093717 529349753 /nfs/dbraw/zinc/34/97/53/529349753.db2.gz LXQQDBBPSZGZLD-CABCVRRESA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330539334 1149184700 /nfs/dbraw/zinc/18/47/00/1149184700.db2.gz UZNJXPNYIIDRNR-KDURUIRLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]12 ZINC001026359918 625352123 /nfs/dbraw/zinc/35/21/23/625352123.db2.gz HCPPSCRZXQHEIA-IXDOHACOSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632384 625364859 /nfs/dbraw/zinc/36/48/59/625364859.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632384 625364862 /nfs/dbraw/zinc/36/48/62/625364862.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632384 625364865 /nfs/dbraw/zinc/36/48/65/625364865.db2.gz LLHQVZZMZGLQQX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761789 625427164 /nfs/dbraw/zinc/42/71/64/625427164.db2.gz JJDAJYBPJLUNED-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761789 625427166 /nfs/dbraw/zinc/42/71/66/625427166.db2.gz JJDAJYBPJLUNED-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761789 625427169 /nfs/dbraw/zinc/42/71/69/625427169.db2.gz JJDAJYBPJLUNED-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686151 625456971 /nfs/dbraw/zinc/45/69/71/625456971.db2.gz UOQCMIIXHGECJT-ZFWWWQNUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686151 625456974 /nfs/dbraw/zinc/45/69/74/625456974.db2.gz UOQCMIIXHGECJT-ZFWWWQNUSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475850 625467545 /nfs/dbraw/zinc/46/75/45/625467545.db2.gz VLLXPIUPOXOYCR-DOTOQJQBSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001026569642 625532246 /nfs/dbraw/zinc/53/22/46/625532246.db2.gz BBXSOMYZXSGCNL-UHFFFAOYSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602198 625625056 /nfs/dbraw/zinc/62/50/56/625625056.db2.gz ZFZVLHVBJGUNJG-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752365 623660561 /nfs/dbraw/zinc/66/05/61/623660561.db2.gz SOBUPDWHIUAQTQ-CQSZACIVSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735440 624018067 /nfs/dbraw/zinc/01/80/67/624018067.db2.gz FLRLTQXISJZMFN-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735440 624018068 /nfs/dbraw/zinc/01/80/68/624018068.db2.gz FLRLTQXISJZMFN-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971564634 624187613 /nfs/dbraw/zinc/18/76/13/624187613.db2.gz ZGAVYUJZYACMEG-LSDHHAIUSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971564634 624187614 /nfs/dbraw/zinc/18/76/14/624187614.db2.gz ZGAVYUJZYACMEG-LSDHHAIUSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446817 625271393 /nfs/dbraw/zinc/27/13/93/625271393.db2.gz YQUFRWFQNUAGOD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446817 625271394 /nfs/dbraw/zinc/27/13/94/625271394.db2.gz YQUFRWFQNUAGOD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446817 625271395 /nfs/dbraw/zinc/27/13/95/625271395.db2.gz YQUFRWFQNUAGOD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453582 625275395 /nfs/dbraw/zinc/27/53/95/625275395.db2.gz BXYRLIUXFCLIKM-MRXNPFEDSA-N 2 1 324.428 2.108 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024647146 625949041 /nfs/dbraw/zinc/94/90/41/625949041.db2.gz JQMJFYLZHOVQTB-HUUCEWRRSA-N 2 1 316.449 2.376 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979083396 634495832 /nfs/dbraw/zinc/49/58/32/634495832.db2.gz YMPIJIIBIQRLHM-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979083396 634495835 /nfs/dbraw/zinc/49/58/35/634495835.db2.gz YMPIJIIBIQRLHM-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979083396 634495838 /nfs/dbraw/zinc/49/58/38/634495838.db2.gz YMPIJIIBIQRLHM-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999289310 634550552 /nfs/dbraw/zinc/55/05/52/634550552.db2.gz FKRIOMXGSJRCSS-GTPINHCMSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261742 634826259 /nfs/dbraw/zinc/82/62/59/634826259.db2.gz UJLCOSGWCIPMMS-NVXWUHKLSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692571 632924074 /nfs/dbraw/zinc/92/40/74/632924074.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692571 632924083 /nfs/dbraw/zinc/92/40/83/632924083.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692571 632924090 /nfs/dbraw/zinc/92/40/90/632924090.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692571 632924093 /nfs/dbraw/zinc/92/40/93/632924093.db2.gz OYFHFPNRIZETPJ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995888362 633137704 /nfs/dbraw/zinc/13/77/04/633137704.db2.gz XDAVLJHBIVDRPF-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911912 633142487 /nfs/dbraw/zinc/14/24/87/633142487.db2.gz BQFPGYBFHYQPMT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670218 633215434 /nfs/dbraw/zinc/21/54/34/633215434.db2.gz HGTOSYTYDSCQOY-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670218 633215441 /nfs/dbraw/zinc/21/54/41/633215441.db2.gz HGTOSYTYDSCQOY-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996677685 633347457 /nfs/dbraw/zinc/34/74/57/633347457.db2.gz WVSCWDYWVRPEQR-IRXDYDNUSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974900160 633358676 /nfs/dbraw/zinc/35/86/76/633358676.db2.gz NREMNZKZHYAKFN-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996715933 633366591 /nfs/dbraw/zinc/36/65/91/633366591.db2.gz GWDAWWMEVIDLQW-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000996749626 633394401 /nfs/dbraw/zinc/39/44/01/633394401.db2.gz SJIQTKSEGBYDCU-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045654 633396705 /nfs/dbraw/zinc/39/67/05/633396705.db2.gz BNQGYHFZURQXMY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975045654 633396708 /nfs/dbraw/zinc/39/67/08/633396708.db2.gz BNQGYHFZURQXMY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997137578 633620244 /nfs/dbraw/zinc/62/02/44/633620244.db2.gz JXNUGRKOZWHLHZ-ZBFHGGJFSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997514533 633819371 /nfs/dbraw/zinc/81/93/71/633819371.db2.gz GQWXWAWIGPAYFG-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214371 633880479 /nfs/dbraw/zinc/88/04/79/633880479.db2.gz CPFGLKBJILWCGD-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978403395 634304415 /nfs/dbraw/zinc/30/44/15/634304415.db2.gz CIAYHMZOWVXMMV-NNZMDNLPSA-N 2 1 324.428 2.126 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486777 635018547 /nfs/dbraw/zinc/01/85/47/635018547.db2.gz XAJUTMJOERDYON-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001000757375 635298841 /nfs/dbraw/zinc/29/88/41/635298841.db2.gz NBAPIAGYXBMITG-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000757375 635298849 /nfs/dbraw/zinc/29/88/49/635298849.db2.gz NBAPIAGYXBMITG-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000757375 635298854 /nfs/dbraw/zinc/29/88/54/635298854.db2.gz NBAPIAGYXBMITG-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC001000779091 635307895 /nfs/dbraw/zinc/30/78/95/635307895.db2.gz VULPLXBVWIOARN-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779091 635307898 /nfs/dbraw/zinc/30/78/98/635307898.db2.gz VULPLXBVWIOARN-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779091 635307902 /nfs/dbraw/zinc/30/79/02/635307902.db2.gz VULPLXBVWIOARN-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000839395 635318631 /nfs/dbraw/zinc/31/86/31/635318631.db2.gz DUWVBXNUCZNXEO-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001000839395 635318638 /nfs/dbraw/zinc/31/86/38/635318638.db2.gz DUWVBXNUCZNXEO-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001000839395 635318641 /nfs/dbraw/zinc/31/86/41/635318641.db2.gz DUWVBXNUCZNXEO-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165084 635344423 /nfs/dbraw/zinc/34/44/23/635344423.db2.gz PXPFNWXGVCPHKY-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001001010392 635378433 /nfs/dbraw/zinc/37/84/33/635378433.db2.gz TUYVVFHDOPBMHJ-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472656 635504060 /nfs/dbraw/zinc/50/40/60/635504060.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001472656 635504066 /nfs/dbraw/zinc/50/40/66/635504066.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001472656 635504072 /nfs/dbraw/zinc/50/40/72/635504072.db2.gz UDUGUBRFTIFBGD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001539846 635525230 /nfs/dbraw/zinc/52/52/30/635525230.db2.gz VNOOULYOUNJLGX-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001001539846 635525232 /nfs/dbraw/zinc/52/52/32/635525232.db2.gz VNOOULYOUNJLGX-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052482 635845711 /nfs/dbraw/zinc/84/57/11/635845711.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052482 635845716 /nfs/dbraw/zinc/84/57/16/635845716.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052482 635845723 /nfs/dbraw/zinc/84/57/23/635845723.db2.gz MDJOHDWGJJSMFT-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3cnc[nH]3)C2)C1 ZINC000982118292 635876510 /nfs/dbraw/zinc/87/65/10/635876510.db2.gz METQDZHWCGFYHS-UHFFFAOYSA-N 2 1 316.449 2.188 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH]cn3)C2)C1 ZINC000982118292 635876517 /nfs/dbraw/zinc/87/65/17/635876517.db2.gz METQDZHWCGFYHS-UHFFFAOYSA-N 2 1 316.449 2.188 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003012745 635881374 /nfs/dbraw/zinc/88/13/74/635881374.db2.gz ZWSZUGKNLOJEDR-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935507 /nfs/dbraw/zinc/93/55/07/635935507.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935508 /nfs/dbraw/zinc/93/55/08/635935508.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275928 635935510 /nfs/dbraw/zinc/93/55/10/635935510.db2.gz MWGAOLZZAWEUHM-QRQLOZEOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306757 635960482 /nfs/dbraw/zinc/96/04/82/635960482.db2.gz XOHLZTYGPATMSC-QRQLOZEOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003421031 635965013 /nfs/dbraw/zinc/96/50/13/635965013.db2.gz YIMMKYMRQHPUBS-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776068 636051371 /nfs/dbraw/zinc/05/13/71/636051371.db2.gz HJVMGZZQEOIRNP-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388922 636142229 /nfs/dbraw/zinc/14/22/29/636142229.db2.gz RWRTYMSWUJRIJD-QBPKDAKJSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004367423 636394647 /nfs/dbraw/zinc/39/46/47/636394647.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004367423 636394650 /nfs/dbraw/zinc/39/46/50/636394650.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004367423 636394653 /nfs/dbraw/zinc/39/46/53/636394653.db2.gz CMXOMSHXNSJOET-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004454020 636450882 /nfs/dbraw/zinc/45/08/82/636450882.db2.gz ZHPAECRBMHMXBJ-KBAYOESNSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004454020 636450884 /nfs/dbraw/zinc/45/08/84/636450884.db2.gz ZHPAECRBMHMXBJ-KBAYOESNSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004454020 636450890 /nfs/dbraw/zinc/45/08/90/636450890.db2.gz ZHPAECRBMHMXBJ-KBAYOESNSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001004586461 636494524 /nfs/dbraw/zinc/49/45/24/636494524.db2.gz TUEOYGXXVGTWIC-MRXNPFEDSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595834 636497843 /nfs/dbraw/zinc/49/78/43/636497843.db2.gz JKOZHGLEZSPULO-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595834 636497847 /nfs/dbraw/zinc/49/78/47/636497847.db2.gz JKOZHGLEZSPULO-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595834 636497851 /nfs/dbraw/zinc/49/78/51/636497851.db2.gz JKOZHGLEZSPULO-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923347814 637125261 /nfs/dbraw/zinc/12/52/61/637125261.db2.gz XQGDHBJSLOZIDR-GJZGRUSLSA-N 2 1 321.490 2.414 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923347814 637125266 /nfs/dbraw/zinc/12/52/66/637125266.db2.gz XQGDHBJSLOZIDR-GJZGRUSLSA-N 2 1 321.490 2.414 20 30 DEEDMP C[C@@H](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895297479 637901692 /nfs/dbraw/zinc/90/16/92/637901692.db2.gz WXZZJHHKTORQHG-INIZCTEOSA-N 2 1 314.477 2.452 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000985713379 639596207 /nfs/dbraw/zinc/59/62/07/639596207.db2.gz VJTZCJLAUHPKMK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240182 640521502 /nfs/dbraw/zinc/52/15/02/640521502.db2.gz DMBUFSWTGLAQGX-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240182 640521506 /nfs/dbraw/zinc/52/15/06/640521506.db2.gz DMBUFSWTGLAQGX-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240182 640521508 /nfs/dbraw/zinc/52/15/08/640521508.db2.gz DMBUFSWTGLAQGX-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000763240182 640521512 /nfs/dbraw/zinc/52/15/12/640521512.db2.gz DMBUFSWTGLAQGX-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483827 641121880 /nfs/dbraw/zinc/12/18/80/641121880.db2.gz YDAQYEVEEKNDKI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989730179 641209629 /nfs/dbraw/zinc/20/96/29/641209629.db2.gz MWFZSOSMJMOEMV-UHFFFAOYSA-N 2 1 301.434 2.082 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764180 641962050 /nfs/dbraw/zinc/96/20/50/641962050.db2.gz PNIFWPHIXQFNLR-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764180 641962057 /nfs/dbraw/zinc/96/20/57/641962057.db2.gz PNIFWPHIXQFNLR-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764180 641962066 /nfs/dbraw/zinc/96/20/66/641962066.db2.gz PNIFWPHIXQFNLR-DODZYUBVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000900015742 642237829 /nfs/dbraw/zinc/23/78/29/642237829.db2.gz YWCOQZPWFUIXOC-UHFFFAOYSA-N 2 1 303.450 2.133 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911637409 645759022 /nfs/dbraw/zinc/75/90/22/645759022.db2.gz WMQNZPLJWNRNPT-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416348 646376150 /nfs/dbraw/zinc/37/61/50/646376150.db2.gz GXOLQAINDSYBNJ-KRWDZBQOSA-N 2 1 314.477 2.398 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992489387 647063983 /nfs/dbraw/zinc/06/39/83/647063983.db2.gz ONXHUMOJUPOBHP-AEFFLSMTSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992489387 647063986 /nfs/dbraw/zinc/06/39/86/647063986.db2.gz ONXHUMOJUPOBHP-AEFFLSMTSA-N 2 1 305.466 2.162 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261998970 647161387 /nfs/dbraw/zinc/16/13/87/647161387.db2.gz TWJFNMUCYPMOLP-BFYDXBDKSA-N 2 1 304.482 2.381 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000732062366 647537053 /nfs/dbraw/zinc/53/70/53/647537053.db2.gz SXVOWKRLMZCLMC-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000732062366 647537058 /nfs/dbraw/zinc/53/70/58/647537058.db2.gz SXVOWKRLMZCLMC-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316590 647595818 /nfs/dbraw/zinc/59/58/18/647595818.db2.gz RDSUKAIBMSWUMU-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316590 647595821 /nfs/dbraw/zinc/59/58/21/647595821.db2.gz RDSUKAIBMSWUMU-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994119867 647789174 /nfs/dbraw/zinc/78/91/74/647789174.db2.gz GGCSUYOLVHAEDX-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253252 647861509 /nfs/dbraw/zinc/86/15/09/647861509.db2.gz NDXHQIWMRPITEM-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785075 648941446 /nfs/dbraw/zinc/94/14/46/648941446.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785075 648941447 /nfs/dbraw/zinc/94/14/47/648941447.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785075 648941450 /nfs/dbraw/zinc/94/14/50/648941450.db2.gz HBFGFMLNZGVSJO-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896059 648964749 /nfs/dbraw/zinc/96/47/49/648964749.db2.gz RMNYYEYVCLMTLZ-INIZCTEOSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031566 648989697 /nfs/dbraw/zinc/98/96/97/648989697.db2.gz ASHRQTKEWBGJOZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031566 648989699 /nfs/dbraw/zinc/98/96/99/648989699.db2.gz ASHRQTKEWBGJOZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031566 648989700 /nfs/dbraw/zinc/98/97/00/648989700.db2.gz ASHRQTKEWBGJOZ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053854 649145114 /nfs/dbraw/zinc/14/51/14/649145114.db2.gz UYRUQAIAERJBPZ-WMLDXEAASA-N 2 1 324.428 2.106 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558224 649244289 /nfs/dbraw/zinc/24/42/89/649244289.db2.gz TZXUZRRAMKOIJJ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287172 649358641 /nfs/dbraw/zinc/35/86/41/649358641.db2.gz IVKKHPVSWVLRRJ-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290076 649359788 /nfs/dbraw/zinc/35/97/88/649359788.db2.gz UQYHKIBJABLPTF-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290076 649359789 /nfs/dbraw/zinc/35/97/89/649359789.db2.gz UQYHKIBJABLPTF-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C[NH+]=C(NCC1([N@H+](C)Cc2ccccc2)CCC1)NC1CC1 ZINC000849036757 651591083 /nfs/dbraw/zinc/59/10/83/651591083.db2.gz WJXPHDRNNUHNAI-UHFFFAOYSA-N 2 1 300.450 2.369 20 30 DEEDMP C[NH+]=C(NCC1([N@@H+](C)Cc2ccccc2)CCC1)NC1CC1 ZINC000849036757 651591087 /nfs/dbraw/zinc/59/10/87/651591087.db2.gz WJXPHDRNNUHNAI-UHFFFAOYSA-N 2 1 300.450 2.369 20 30 DEEDMP CC(C)(C)[C@]1(CN=NC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000857206757 652077547 /nfs/dbraw/zinc/07/75/47/652077547.db2.gz GFTXCWMYIYWUBW-KRWDZBQOSA-N 2 1 301.438 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747906 1157947073 /nfs/dbraw/zinc/94/70/73/1157947073.db2.gz KGKBJAFSEVTULN-JSGCOSHPSA-N 2 1 315.889 2.153 20 30 DEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304742576 685258619 /nfs/dbraw/zinc/25/86/19/685258619.db2.gz CQAONGAWROEWPU-CVEARBPZSA-N 2 1 312.502 2.074 20 30 DEEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCCC2 ZINC000304757956 685259790 /nfs/dbraw/zinc/25/97/90/685259790.db2.gz PLBDICHZYHPQOR-BZUAXINKSA-N 2 1 322.497 2.113 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193764 685282780 /nfs/dbraw/zinc/28/27/80/685282780.db2.gz VRIWOOCVZRRIAP-INIZCTEOSA-N 2 1 313.449 2.099 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198531 693879672 /nfs/dbraw/zinc/87/96/72/693879672.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198531 693879677 /nfs/dbraw/zinc/87/96/77/693879677.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198531 693879682 /nfs/dbraw/zinc/87/96/82/693879682.db2.gz ZEDIIAHDFVRSTN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245064 693898985 /nfs/dbraw/zinc/89/89/85/693898985.db2.gz NYEDVITWOXXTEH-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000303877668 685236662 /nfs/dbraw/zinc/23/66/62/685236662.db2.gz FMYSXLPBUNEIHA-CVEARBPZSA-N 2 1 302.466 2.396 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000303899346 685238835 /nfs/dbraw/zinc/23/88/35/685238835.db2.gz ROVWLLUYKWFFLT-KRWDZBQOSA-N 2 1 300.450 2.304 20 30 DEEDMP C[N@@H+]1CCC(N=NC(N)=[NH2+])C[C@H]1c1ccc(Br)cc1 ZINC000863079525 686430509 /nfs/dbraw/zinc/43/05/09/686430509.db2.gz PVYKVTFMNKPWNX-LBPRGKRZSA-N 2 1 324.226 2.055 20 30 DEEDMP C[N@H+]1CCC(N=NC(N)=[NH2+])C[C@H]1c1ccc(Br)cc1 ZINC000863079525 686430513 /nfs/dbraw/zinc/43/05/13/686430513.db2.gz PVYKVTFMNKPWNX-LBPRGKRZSA-N 2 1 324.226 2.055 20 30 DEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017616889 687924913 /nfs/dbraw/zinc/92/49/13/687924913.db2.gz FYXZCJDDISASCT-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017616889 687924916 /nfs/dbraw/zinc/92/49/16/687924916.db2.gz FYXZCJDDISASCT-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017616889 687924919 /nfs/dbraw/zinc/92/49/19/687924919.db2.gz FYXZCJDDISASCT-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017616889 687924922 /nfs/dbraw/zinc/92/49/22/687924922.db2.gz FYXZCJDDISASCT-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001017666106 687935762 /nfs/dbraw/zinc/93/57/62/687935762.db2.gz FIBPBZFXJGBTRR-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001017666106 687935769 /nfs/dbraw/zinc/93/57/69/687935769.db2.gz FIBPBZFXJGBTRR-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001017666106 687935776 /nfs/dbraw/zinc/93/57/76/687935776.db2.gz FIBPBZFXJGBTRR-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790408 687962675 /nfs/dbraw/zinc/96/26/75/687962675.db2.gz GTIFQTSAQZLHGD-IYBDPMFKSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790408 687962680 /nfs/dbraw/zinc/96/26/80/687962680.db2.gz GTIFQTSAQZLHGD-IYBDPMFKSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018051883 688040094 /nfs/dbraw/zinc/04/00/94/688040094.db2.gz KWCLUIXEVSSPRE-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051883 688040099 /nfs/dbraw/zinc/04/00/99/688040099.db2.gz KWCLUIXEVSSPRE-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051883 688040105 /nfs/dbraw/zinc/04/01/05/688040105.db2.gz KWCLUIXEVSSPRE-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672930 688977634 /nfs/dbraw/zinc/97/76/34/688977634.db2.gz SIEIVBWEGJFAHX-QGZVFWFLSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557918 689185772 /nfs/dbraw/zinc/18/57/72/689185772.db2.gz WZIBXPQQHWVJBV-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628433 689206442 /nfs/dbraw/zinc/20/64/42/689206442.db2.gz ANSCUBKOERCGIN-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628433 689206444 /nfs/dbraw/zinc/20/64/44/689206444.db2.gz ANSCUBKOERCGIN-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628433 689206446 /nfs/dbraw/zinc/20/64/46/689206446.db2.gz ANSCUBKOERCGIN-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803961 689265990 /nfs/dbraw/zinc/26/59/90/689265990.db2.gz RGMIKYKLNKFWOZ-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803961 689265994 /nfs/dbraw/zinc/26/59/94/689265994.db2.gz RGMIKYKLNKFWOZ-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153503 689406850 /nfs/dbraw/zinc/40/68/50/689406850.db2.gz VSCKJXPRBDFMKY-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153503 689406852 /nfs/dbraw/zinc/40/68/52/689406852.db2.gz VSCKJXPRBDFMKY-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504133 689523860 /nfs/dbraw/zinc/52/38/60/689523860.db2.gz DGVSKOPMSHFRIV-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339437 689814718 /nfs/dbraw/zinc/81/47/18/689814718.db2.gz FRSJCFBFJGNWPW-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000876765019 689930137 /nfs/dbraw/zinc/93/01/37/689930137.db2.gz YHVAAXMSWMOHTR-ZIAGYGMSSA-N 2 1 315.889 2.473 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001034714672 689932909 /nfs/dbraw/zinc/93/29/09/689932909.db2.gz DRUUSIOFEYVQQR-QAETUUGQSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194239 690056736 /nfs/dbraw/zinc/05/67/36/690056736.db2.gz XAOSQTUJPSSCTA-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858261 690194886 /nfs/dbraw/zinc/19/48/86/690194886.db2.gz RGXTYAXIYPCLDS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001036056930 690248541 /nfs/dbraw/zinc/24/85/41/690248541.db2.gz WTNDQCSOKMVEEM-IUODEOHRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036832481 690492080 /nfs/dbraw/zinc/49/20/80/690492080.db2.gz CFXXDJUAVGOJIW-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833444 690492393 /nfs/dbraw/zinc/49/23/93/690492393.db2.gz UFUQEUGKMTTZJU-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859455 690501681 /nfs/dbraw/zinc/50/16/81/690501681.db2.gz QBDKWHJPKYZSSJ-MSOLQXFVSA-N 2 1 319.493 2.216 20 30 DEEDMP COCC[N@H+](Cc1cccc(C#N)c1F)CC1CC[NH+](C)CC1 ZINC000879126547 690573434 /nfs/dbraw/zinc/57/34/34/690573434.db2.gz ZLJMNWNAJIUKLS-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244331 691066550 /nfs/dbraw/zinc/06/65/50/691066550.db2.gz XRBCWVHIWYIBNH-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039269624 691072811 /nfs/dbraw/zinc/07/28/11/691072811.db2.gz TVLWSORIWKKZIB-NPYXIHBLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241713 691219425 /nfs/dbraw/zinc/21/94/25/691219425.db2.gz RPLFHQKQFFKDFN-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040394154 691241393 /nfs/dbraw/zinc/24/13/93/691241393.db2.gz IQYBGZBJDPZCER-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394154 691241395 /nfs/dbraw/zinc/24/13/95/691241395.db2.gz IQYBGZBJDPZCER-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394154 691241399 /nfs/dbraw/zinc/24/13/99/691241399.db2.gz IQYBGZBJDPZCER-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465051 691251288 /nfs/dbraw/zinc/25/12/88/691251288.db2.gz UOOSBDLCMBIOBJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276214 691354777 /nfs/dbraw/zinc/35/47/77/691354777.db2.gz ISXOGSOCKGTWPN-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276214 691354781 /nfs/dbraw/zinc/35/47/81/691354781.db2.gz ISXOGSOCKGTWPN-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276214 691354785 /nfs/dbraw/zinc/35/47/85/691354785.db2.gz ISXOGSOCKGTWPN-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408134 691372517 /nfs/dbraw/zinc/37/25/17/691372517.db2.gz KWZMMPBEFSQZPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408134 691372518 /nfs/dbraw/zinc/37/25/18/691372518.db2.gz KWZMMPBEFSQZPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408134 691372519 /nfs/dbraw/zinc/37/25/19/691372519.db2.gz KWZMMPBEFSQZPR-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675725 691408829 /nfs/dbraw/zinc/40/88/29/691408829.db2.gz RQQFFWVQBUPGHQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675725 691408832 /nfs/dbraw/zinc/40/88/32/691408832.db2.gz RQQFFWVQBUPGHQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675725 691408834 /nfs/dbraw/zinc/40/88/34/691408834.db2.gz RQQFFWVQBUPGHQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691676 691410842 /nfs/dbraw/zinc/41/08/42/691410842.db2.gz FVEOWYSJPNNZQL-GOEBONIOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691676 691410843 /nfs/dbraw/zinc/41/08/43/691410843.db2.gz FVEOWYSJPNNZQL-GOEBONIOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000883220958 691459356 /nfs/dbraw/zinc/45/93/56/691459356.db2.gz RSAVYCIMIVXXSH-DLBZAZTESA-N 2 1 309.498 2.116 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133347 691517289 /nfs/dbraw/zinc/51/72/89/691517289.db2.gz JDTMHNAEVAVORS-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132803 691517359 /nfs/dbraw/zinc/51/73/59/691517359.db2.gz FSBNTFCVHGZIKT-RHSMWYFYSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286541 691557425 /nfs/dbraw/zinc/55/74/25/691557425.db2.gz ARJQADBFYOEFLQ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371148 691584484 /nfs/dbraw/zinc/58/44/84/691584484.db2.gz MBRUUXNTVKVCET-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001044056475 691764219 /nfs/dbraw/zinc/76/42/19/691764219.db2.gz ZUBCQDRDEJEHAP-UHFFFAOYSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966270 692064488 /nfs/dbraw/zinc/06/44/88/692064488.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966270 692064489 /nfs/dbraw/zinc/06/44/89/692064489.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966270 692064490 /nfs/dbraw/zinc/06/44/90/692064490.db2.gz SMKHZXBJXOTLKB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436743 692187361 /nfs/dbraw/zinc/18/73/61/692187361.db2.gz RNTFNDAWYZXWKP-GOSISDBHSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001048510583 692634850 /nfs/dbraw/zinc/63/48/50/692634850.db2.gz ONBLTIFQTUUDAE-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048510583 692634853 /nfs/dbraw/zinc/63/48/53/692634853.db2.gz ONBLTIFQTUUDAE-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048510583 692634856 /nfs/dbraw/zinc/63/48/56/692634856.db2.gz ONBLTIFQTUUDAE-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849646 692709447 /nfs/dbraw/zinc/70/94/47/692709447.db2.gz ORNQKCNEUYYIDF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849646 692709448 /nfs/dbraw/zinc/70/94/48/692709448.db2.gz ORNQKCNEUYYIDF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849646 692709450 /nfs/dbraw/zinc/70/94/50/692709450.db2.gz ORNQKCNEUYYIDF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571573 692925446 /nfs/dbraw/zinc/92/54/46/692925446.db2.gz DVXXROQQUIWTCS-IAGOWNOFSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049718403 692974691 /nfs/dbraw/zinc/97/46/91/692974691.db2.gz IYWOAWGXQPZTJU-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049718403 692974692 /nfs/dbraw/zinc/97/46/92/692974692.db2.gz IYWOAWGXQPZTJU-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049718403 692974694 /nfs/dbraw/zinc/97/46/94/692974694.db2.gz IYWOAWGXQPZTJU-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050804 693092939 /nfs/dbraw/zinc/09/29/39/693092939.db2.gz IBHPJHXWVHERGI-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050804 693092942 /nfs/dbraw/zinc/09/29/42/693092942.db2.gz IBHPJHXWVHERGI-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050804 693092945 /nfs/dbraw/zinc/09/29/45/693092945.db2.gz IBHPJHXWVHERGI-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183865 693131871 /nfs/dbraw/zinc/13/18/71/693131871.db2.gz VYBWELKXEOGLJK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183865 693131873 /nfs/dbraw/zinc/13/18/73/693131873.db2.gz VYBWELKXEOGLJK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183865 693131876 /nfs/dbraw/zinc/13/18/76/693131876.db2.gz VYBWELKXEOGLJK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001050684425 693231573 /nfs/dbraw/zinc/23/15/73/693231573.db2.gz LDUHCLHQJITIFS-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764684 693614986 /nfs/dbraw/zinc/61/49/86/693614986.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764684 693614989 /nfs/dbraw/zinc/61/49/89/693614989.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764684 693614991 /nfs/dbraw/zinc/61/49/91/693614991.db2.gz QRUYOFNGLMNEJV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052864985 693636690 /nfs/dbraw/zinc/63/66/90/693636690.db2.gz BXQHYMZYHOPEGP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052864985 693636693 /nfs/dbraw/zinc/63/66/93/693636693.db2.gz BXQHYMZYHOPEGP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052864985 693636694 /nfs/dbraw/zinc/63/66/94/693636694.db2.gz BXQHYMZYHOPEGP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955329 693656167 /nfs/dbraw/zinc/65/61/67/693656167.db2.gz DAERJEDVUCHZEJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955329 693656169 /nfs/dbraw/zinc/65/61/69/693656169.db2.gz DAERJEDVUCHZEJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955329 693656172 /nfs/dbraw/zinc/65/61/72/693656172.db2.gz DAERJEDVUCHZEJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051545 693677964 /nfs/dbraw/zinc/67/79/64/693677964.db2.gz NSCBEHIPDRWFMO-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286670 1162315134 /nfs/dbraw/zinc/31/51/34/1162315134.db2.gz CWVWQOTYXAEVTK-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001381960787 1153290515 /nfs/dbraw/zinc/29/05/15/1153290515.db2.gz VZXSOEYCBYOURW-SHTZXODSSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001382020038 1153320395 /nfs/dbraw/zinc/32/03/95/1153320395.db2.gz QXUARNGBLDGYAH-HNNXBMFYSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001382338489 1153429048 /nfs/dbraw/zinc/42/90/48/1153429048.db2.gz PCVBFOWYBFPRHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001382338489 1153429053 /nfs/dbraw/zinc/42/90/53/1153429053.db2.gz PCVBFOWYBFPRHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001382338489 1153429057 /nfs/dbraw/zinc/42/90/57/1153429057.db2.gz PCVBFOWYBFPRHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001382338489 1153429059 /nfs/dbraw/zinc/42/90/59/1153429059.db2.gz PCVBFOWYBFPRHJ-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001402944587 1162561063 /nfs/dbraw/zinc/56/10/63/1162561063.db2.gz VZXSOEYCBYOURW-UHFFFAOYSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391353832 1156352519 /nfs/dbraw/zinc/35/25/19/1156352519.db2.gz MIXKATKTSWLQGF-CABCVRRESA-N 2 1 315.889 2.105 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001397230422 1160067571 /nfs/dbraw/zinc/06/75/71/1160067571.db2.gz DFNRNQLHRKUZHV-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001400987636 1161856269 /nfs/dbraw/zinc/85/62/69/1161856269.db2.gz IMQOHVBDMWAYFK-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001408172902 1165502142 /nfs/dbraw/zinc/50/21/42/1165502142.db2.gz IWSZLRDFUZCIOZ-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001408172902 1165502150 /nfs/dbraw/zinc/50/21/50/1165502150.db2.gz IWSZLRDFUZCIOZ-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408172902 1165502161 /nfs/dbraw/zinc/50/21/61/1165502161.db2.gz IWSZLRDFUZCIOZ-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408172902 1165502170 /nfs/dbraw/zinc/50/21/70/1165502170.db2.gz IWSZLRDFUZCIOZ-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001417839350 1167247606 /nfs/dbraw/zinc/24/76/06/1167247606.db2.gz KEEZLBCTRAZUTG-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001418189862 1167471837 /nfs/dbraw/zinc/47/18/37/1167471837.db2.gz RCANVZUKIGLJAT-UHFFFAOYSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420617362 1169831669 /nfs/dbraw/zinc/83/16/69/1169831669.db2.gz XLNNVWQFJCBHJB-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001420617362 1169831671 /nfs/dbraw/zinc/83/16/71/1169831671.db2.gz XLNNVWQFJCBHJB-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423708999 1173506140 /nfs/dbraw/zinc/50/61/40/1173506140.db2.gz XUNWAVRNAXTIFQ-MRXNPFEDSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423708999 1173506145 /nfs/dbraw/zinc/50/61/45/1173506145.db2.gz XUNWAVRNAXTIFQ-MRXNPFEDSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001424724486 1173888385 /nfs/dbraw/zinc/88/83/85/1173888385.db2.gz HNBLIOSEFHJZBE-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001425888803 1174499392 /nfs/dbraw/zinc/49/93/92/1174499392.db2.gz PUKTUCPCTAVAKF-DZGCQCFKSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001426140348 1174613859 /nfs/dbraw/zinc/61/38/59/1174613859.db2.gz UJBZTRRGLBMKKU-JSGCOSHPSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001436936602 1179309710 /nfs/dbraw/zinc/30/97/10/1179309710.db2.gz VQVQJTXVNGVVKT-BZUAXINKSA-N 2 1 321.852 2.279 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001437836866 1180023170 /nfs/dbraw/zinc/02/31/70/1180023170.db2.gz AUWCWYJSOYZLBS-HIFRSBDPSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001438308819 1180337837 /nfs/dbraw/zinc/33/78/37/1180337837.db2.gz FMPYAGKJPSKULR-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001447891861 1184924916 /nfs/dbraw/zinc/92/49/16/1184924916.db2.gz GHAFLMRMWZFQCI-STQMWFEESA-N 2 1 312.845 2.207 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001448556446 1185292627 /nfs/dbraw/zinc/29/26/27/1185292627.db2.gz AMEBPUZQZJNXNM-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc2c[nH+]cn2c1C ZINC001448885712 1185446479 /nfs/dbraw/zinc/44/64/79/1185446479.db2.gz XWIWJHASZVBJQK-UHFFFAOYSA-N 2 1 300.406 2.223 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112030 782259936 /nfs/dbraw/zinc/25/99/36/782259936.db2.gz VTXXOAWZCYIAIR-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257047 782384248 /nfs/dbraw/zinc/38/42/48/782384248.db2.gz VGAFUOOZANDJQI-DLBZAZTESA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210783 782521348 /nfs/dbraw/zinc/52/13/48/782521348.db2.gz FHEWIEPBJGAYJA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332804068 1149894116 /nfs/dbraw/zinc/89/41/16/1149894116.db2.gz ANWFPJCBYXHVTC-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001333354213 1150038479 /nfs/dbraw/zinc/03/84/79/1150038479.db2.gz FZIBOZADYKVGCH-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401074 783068850 /nfs/dbraw/zinc/06/88/50/783068850.db2.gz OMYCEZMAIOSDMV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401074 783068856 /nfs/dbraw/zinc/06/88/56/783068856.db2.gz OMYCEZMAIOSDMV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401074 783068861 /nfs/dbraw/zinc/06/88/61/783068861.db2.gz OMYCEZMAIOSDMV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050383 790418589 /nfs/dbraw/zinc/41/85/89/790418589.db2.gz XMQHXMLKSKISHI-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050383 790418596 /nfs/dbraw/zinc/41/85/96/790418596.db2.gz XMQHXMLKSKISHI-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050383 790418603 /nfs/dbraw/zinc/41/86/03/790418603.db2.gz XMQHXMLKSKISHI-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](C)C(F)(F)F)CC1 ZINC001208903844 776638332 /nfs/dbraw/zinc/63/83/32/776638332.db2.gz ZEVGBNKJIOUAPK-OAHLLOKOSA-N 2 1 319.415 2.476 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237080 776789842 /nfs/dbraw/zinc/78/98/42/776789842.db2.gz UAIOAJNZZWYJMA-JKSUJKDBSA-N 2 1 307.482 2.026 20 30 DEEDMP C#CCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468517 776929286 /nfs/dbraw/zinc/92/92/86/776929286.db2.gz BEVTZDUKQVQQFY-UHFFFAOYSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)[C@H]1CC ZINC001087601991 779374488 /nfs/dbraw/zinc/37/44/88/779374488.db2.gz SVNISGJQNMZWGJ-ARFHVFGLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601991 779374493 /nfs/dbraw/zinc/37/44/93/779374493.db2.gz SVNISGJQNMZWGJ-ARFHVFGLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601991 779374498 /nfs/dbraw/zinc/37/44/98/779374498.db2.gz SVNISGJQNMZWGJ-ARFHVFGLSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602323 779375020 /nfs/dbraw/zinc/37/50/20/779375020.db2.gz KJGMTLHDLCUQPW-OKZBNKHCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602323 779375025 /nfs/dbraw/zinc/37/50/25/779375025.db2.gz KJGMTLHDLCUQPW-OKZBNKHCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602323 779375026 /nfs/dbraw/zinc/37/50/26/779375026.db2.gz KJGMTLHDLCUQPW-OKZBNKHCSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211273 779774029 /nfs/dbraw/zinc/77/40/29/779774029.db2.gz ADKYIDANOCXWKB-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985474570 779857832 /nfs/dbraw/zinc/85/78/32/779857832.db2.gz NYVXXVJAZNYHFU-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985474570 779857834 /nfs/dbraw/zinc/85/78/34/779857834.db2.gz NYVXXVJAZNYHFU-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985474570 779857838 /nfs/dbraw/zinc/85/78/38/779857838.db2.gz NYVXXVJAZNYHFU-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576652 780772598 /nfs/dbraw/zinc/77/25/98/780772598.db2.gz KAAKYYRRQPLQAC-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029722 790840695 /nfs/dbraw/zinc/84/06/95/790840695.db2.gz UDSGGHJMOVGMJA-AQFXKWCLSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C[C@H]1C ZINC000947941214 783274660 /nfs/dbraw/zinc/27/46/60/783274660.db2.gz ZGHHGPXAQJIKGQ-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941214 783274668 /nfs/dbraw/zinc/27/46/68/783274668.db2.gz ZGHHGPXAQJIKGQ-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941214 783274673 /nfs/dbraw/zinc/27/46/73/783274673.db2.gz ZGHHGPXAQJIKGQ-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690052 783355076 /nfs/dbraw/zinc/35/50/76/783355076.db2.gz KOAMPAHOKBQOFX-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948425019 783460333 /nfs/dbraw/zinc/46/03/33/783460333.db2.gz NBUCPLUMSVVUBV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948425019 783460337 /nfs/dbraw/zinc/46/03/37/783460337.db2.gz NBUCPLUMSVVUBV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948425019 783460343 /nfs/dbraw/zinc/46/03/43/783460343.db2.gz NBUCPLUMSVVUBV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085253888 783605117 /nfs/dbraw/zinc/60/51/17/783605117.db2.gz KNZRXLIWRRQVTJ-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000968732529 784562204 /nfs/dbraw/zinc/56/22/04/784562204.db2.gz OCTVQAHWGOXZTP-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863232 784624634 /nfs/dbraw/zinc/62/46/34/784624634.db2.gz BIVQQBMBKKTVLU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863232 784624643 /nfs/dbraw/zinc/62/46/43/784624643.db2.gz BIVQQBMBKKTVLU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863232 784624650 /nfs/dbraw/zinc/62/46/50/784624650.db2.gz BIVQQBMBKKTVLU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086387011 784640421 /nfs/dbraw/zinc/64/04/21/784640421.db2.gz OOLVDZBXWMXNQV-BRWVUGGUSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142093 785061293 /nfs/dbraw/zinc/06/12/93/785061293.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142093 785061299 /nfs/dbraw/zinc/06/12/99/785061299.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142093 785061306 /nfs/dbraw/zinc/06/13/06/785061306.db2.gz ZSGYRZKXJBLRGB-PJVZLEMVSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108778535 785534995 /nfs/dbraw/zinc/53/49/95/785534995.db2.gz VFMWIIQZPBAURB-BBWFWOEESA-N 2 1 316.449 2.127 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563300 786159087 /nfs/dbraw/zinc/15/90/87/786159087.db2.gz PQOQKJSIGINPLQ-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014903464 786799133 /nfs/dbraw/zinc/79/91/33/786799133.db2.gz APHSMTYHWVCJQP-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713273 787196410 /nfs/dbraw/zinc/19/64/10/787196410.db2.gz LVRHDSBSYMJGBQ-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129430731 787213067 /nfs/dbraw/zinc/21/30/67/787213067.db2.gz WTDISUIRLVAYDQ-HNNXBMFYSA-N 2 1 306.454 2.437 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548380 788126240 /nfs/dbraw/zinc/12/62/40/788126240.db2.gz CMPNQCCCMXWHOX-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790804 789087340 /nfs/dbraw/zinc/08/73/40/789087340.db2.gz ITZMMFQDOUXUIS-HUUCEWRRSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584134 789403472 /nfs/dbraw/zinc/40/34/72/789403472.db2.gz KLIBJVIQOQGZJN-HUUCEWRRSA-N 2 1 306.454 2.456 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071954071 789985229 /nfs/dbraw/zinc/98/52/29/789985229.db2.gz JJOYCMGLUCNBDQ-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071973227 789995370 /nfs/dbraw/zinc/99/53/70/789995370.db2.gz FLBBTTYJMQPHST-CRAIPNDOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085302 790046310 /nfs/dbraw/zinc/04/63/10/790046310.db2.gz QUYZAFZMVXEVFY-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085302 790046313 /nfs/dbraw/zinc/04/63/13/790046313.db2.gz QUYZAFZMVXEVFY-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171327782 791721790 /nfs/dbraw/zinc/72/17/90/791721790.db2.gz DPVRHFRPTMBTRT-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716559 791741951 /nfs/dbraw/zinc/74/19/51/791741951.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716559 791741954 /nfs/dbraw/zinc/74/19/54/791741954.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716559 791741956 /nfs/dbraw/zinc/74/19/56/791741956.db2.gz SGAYOQMCRGDVMO-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956552 791864431 /nfs/dbraw/zinc/86/44/31/791864431.db2.gz PWQCXDAMTZQHAH-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092129353 791934898 /nfs/dbraw/zinc/93/48/98/791934898.db2.gz IKULRCNPJYKSLP-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465997 792090759 /nfs/dbraw/zinc/09/07/59/792090759.db2.gz BNOOANLEDRSCDE-VQHPVUNQSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465997 792090773 /nfs/dbraw/zinc/09/07/73/792090773.db2.gz BNOOANLEDRSCDE-VQHPVUNQSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465997 792090786 /nfs/dbraw/zinc/09/07/86/792090786.db2.gz BNOOANLEDRSCDE-VQHPVUNQSA-N 2 1 307.482 2.403 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115349 792102492 /nfs/dbraw/zinc/10/24/92/792102492.db2.gz GXNKWPQSXHIYRP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115349 792102496 /nfs/dbraw/zinc/10/24/96/792102496.db2.gz GXNKWPQSXHIYRP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115349 792102500 /nfs/dbraw/zinc/10/25/00/792102500.db2.gz GXNKWPQSXHIYRP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310550 792167327 /nfs/dbraw/zinc/16/73/27/792167327.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310550 792167334 /nfs/dbraw/zinc/16/73/34/792167334.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310550 792167338 /nfs/dbraw/zinc/16/73/38/792167338.db2.gz PHHSYYMUYFACPU-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319487 792589866 /nfs/dbraw/zinc/58/98/66/792589866.db2.gz OGGSMCQLEWDPEX-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100406072 792631929 /nfs/dbraw/zinc/63/19/29/792631929.db2.gz ZLGZLPHYKLXSAE-UYSNPLJNSA-N 2 1 316.449 2.211 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094469277 792930178 /nfs/dbraw/zinc/93/01/78/792930178.db2.gz OMXNBCGOFULRTR-IEBWSBKVSA-N 2 1 324.428 2.495 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443724 793164534 /nfs/dbraw/zinc/16/45/34/793164534.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443724 793164536 /nfs/dbraw/zinc/16/45/36/793164536.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443724 793164538 /nfs/dbraw/zinc/16/45/38/793164538.db2.gz PTBGFLXODJUQLR-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821636 793209249 /nfs/dbraw/zinc/20/92/49/793209249.db2.gz PDNBUBSBPPDAPZ-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC001172246883 793385940 /nfs/dbraw/zinc/38/59/40/793385940.db2.gz YOANHVZQUAVTKK-UHFFFAOYSA-N 2 1 305.397 2.288 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213526 793531829 /nfs/dbraw/zinc/53/18/29/793531829.db2.gz JTNMFZOYZSHWRG-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419864 793609053 /nfs/dbraw/zinc/60/90/53/793609053.db2.gz XXXUTDPMVBIZEA-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419864 793609058 /nfs/dbraw/zinc/60/90/58/793609058.db2.gz XXXUTDPMVBIZEA-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524860 793640632 /nfs/dbraw/zinc/64/06/32/793640632.db2.gz ZYVXKOHQICJLAR-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524860 793640635 /nfs/dbraw/zinc/64/06/35/793640635.db2.gz ZYVXKOHQICJLAR-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524860 793640639 /nfs/dbraw/zinc/64/06/39/793640639.db2.gz ZYVXKOHQICJLAR-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103234055 793994204 /nfs/dbraw/zinc/99/42/04/793994204.db2.gz YPYKOAGTFVDHKG-HZPDHXFCSA-N 2 1 324.428 2.045 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175573946 794245519 /nfs/dbraw/zinc/24/55/19/794245519.db2.gz RPSUSQCUGYEMLS-SJORKVTESA-N 2 1 307.482 2.147 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820505 794506294 /nfs/dbraw/zinc/50/62/94/794506294.db2.gz OJUNCAHZDRVOTN-KRWDZBQOSA-N 2 1 315.461 2.016 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820505 794506302 /nfs/dbraw/zinc/50/63/02/794506302.db2.gz OJUNCAHZDRVOTN-KRWDZBQOSA-N 2 1 315.461 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926687 794527885 /nfs/dbraw/zinc/52/78/85/794527885.db2.gz CWHCXSONXYKQOD-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926687 794527889 /nfs/dbraw/zinc/52/78/89/794527889.db2.gz CWHCXSONXYKQOD-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926687 794527893 /nfs/dbraw/zinc/52/78/93/794527893.db2.gz CWHCXSONXYKQOD-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368388 794646400 /nfs/dbraw/zinc/64/64/00/794646400.db2.gz FCWQLJKUJQWZOH-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177348448 794651897 /nfs/dbraw/zinc/65/18/97/794651897.db2.gz IDHIZIUIBKGUGF-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115118652 794682857 /nfs/dbraw/zinc/68/28/57/794682857.db2.gz JMGNYQGNBROVIR-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118652 794682859 /nfs/dbraw/zinc/68/28/59/794682859.db2.gz JMGNYQGNBROVIR-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115118652 794682862 /nfs/dbraw/zinc/68/28/62/794682862.db2.gz JMGNYQGNBROVIR-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178816085 795015100 /nfs/dbraw/zinc/01/51/00/795015100.db2.gz TVPBUBYEJZYJPD-SJORKVTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429829 795458856 /nfs/dbraw/zinc/45/88/56/795458856.db2.gz BUGFYZPNHHLRII-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001121991568 795713674 /nfs/dbraw/zinc/71/36/74/795713674.db2.gz UKJAFYZWBUTXDC-INIZCTEOSA-N 2 1 321.490 2.118 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221531 795828715 /nfs/dbraw/zinc/82/87/15/795828715.db2.gz OWZQVADNNXXVHE-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648628 795906175 /nfs/dbraw/zinc/90/61/75/795906175.db2.gz WJLBLWKSSMAKLP-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185547508 796289948 /nfs/dbraw/zinc/28/99/48/796289948.db2.gz IGJGIFKIAPAEFJ-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185680953 796308406 /nfs/dbraw/zinc/30/84/06/796308406.db2.gz HRBBOMZAOATJRB-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C#C[C@@H]1CCC[N@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257425 796350114 /nfs/dbraw/zinc/35/01/14/796350114.db2.gz BDFHNWYPERXNNP-CQSZACIVSA-N 2 1 302.418 2.308 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082723 796357034 /nfs/dbraw/zinc/35/70/34/796357034.db2.gz NVOWFTAQPSOXJB-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186975513 796468407 /nfs/dbraw/zinc/46/84/07/796468407.db2.gz QKNYOCFAKWPVRE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699813 796795705 /nfs/dbraw/zinc/79/57/05/796795705.db2.gz UDPAYYWPXDWPGC-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454662 796833761 /nfs/dbraw/zinc/83/37/61/796833761.db2.gz ZQFMGOJYOPNQGX-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454662 796833763 /nfs/dbraw/zinc/83/37/63/796833763.db2.gz ZQFMGOJYOPNQGX-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454662 796833766 /nfs/dbraw/zinc/83/37/66/796833766.db2.gz ZQFMGOJYOPNQGX-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190655177 797049643 /nfs/dbraw/zinc/04/96/43/797049643.db2.gz OJZCMHKCHSNTFV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655177 797049650 /nfs/dbraw/zinc/04/96/50/797049650.db2.gz OJZCMHKCHSNTFV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655177 797049656 /nfs/dbraw/zinc/04/96/56/797049656.db2.gz OJZCMHKCHSNTFV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1 ZINC001190724327 797063799 /nfs/dbraw/zinc/06/37/99/797063799.db2.gz LYFKJEOIQDLWNM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190724327 797063805 /nfs/dbraw/zinc/06/38/05/797063805.db2.gz LYFKJEOIQDLWNM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190724327 797063810 /nfs/dbraw/zinc/06/38/10/797063810.db2.gz LYFKJEOIQDLWNM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001190724327 797063817 /nfs/dbraw/zinc/06/38/17/797063817.db2.gz LYFKJEOIQDLWNM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989142 797295358 /nfs/dbraw/zinc/29/53/58/797295358.db2.gz QLPDCNSRPVPEDC-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312564 797320358 /nfs/dbraw/zinc/32/03/58/797320358.db2.gz KRJNAQLRVPRYKD-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153312564 797320365 /nfs/dbraw/zinc/32/03/65/797320365.db2.gz KRJNAQLRVPRYKD-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153312564 797320371 /nfs/dbraw/zinc/32/03/71/797320371.db2.gz KRJNAQLRVPRYKD-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153312564 797320377 /nfs/dbraw/zinc/32/03/77/797320377.db2.gz KRJNAQLRVPRYKD-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433545 797338236 /nfs/dbraw/zinc/33/82/36/797338236.db2.gz WPSLCJAKQRFMML-HZPDHXFCSA-N 2 1 318.465 2.247 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433545 797338244 /nfs/dbraw/zinc/33/82/44/797338244.db2.gz WPSLCJAKQRFMML-HZPDHXFCSA-N 2 1 318.465 2.247 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819360 797402921 /nfs/dbraw/zinc/40/29/21/797402921.db2.gz XZVZTXKDUWXPLH-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819360 797402925 /nfs/dbraw/zinc/40/29/25/797402925.db2.gz XZVZTXKDUWXPLH-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154887692 797633491 /nfs/dbraw/zinc/63/34/91/797633491.db2.gz CRUGBDIVOKCBEM-CQSZACIVSA-N 2 1 307.438 2.358 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273911 797696453 /nfs/dbraw/zinc/69/64/53/797696453.db2.gz BSZQTQBPECGPTQ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP Cc1[nH+]c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001155596504 797799630 /nfs/dbraw/zinc/79/96/30/797799630.db2.gz IFQOBAMIIKCNFY-RHSMWYFYSA-N 2 1 300.406 2.027 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883943 797873460 /nfs/dbraw/zinc/87/34/60/797873460.db2.gz RSXIRTSFFYQKPW-IAGOWNOFSA-N 2 1 309.498 2.203 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295994 798036894 /nfs/dbraw/zinc/03/68/94/798036894.db2.gz WVYFACHTFXCKRQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001196295994 798036897 /nfs/dbraw/zinc/03/68/97/798036897.db2.gz WVYFACHTFXCKRQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001196295994 798036903 /nfs/dbraw/zinc/03/69/03/798036903.db2.gz WVYFACHTFXCKRQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641324 798081659 /nfs/dbraw/zinc/08/16/59/798081659.db2.gz AJQDKILRPCONDY-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203901979 798318441 /nfs/dbraw/zinc/31/84/41/798318441.db2.gz ATBJOCWJWIITTB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159838437 798616643 /nfs/dbraw/zinc/61/66/43/798616643.db2.gz MPLDSDJPUXSYNC-DLBZAZTESA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155359 798656526 /nfs/dbraw/zinc/65/65/26/798656526.db2.gz CHYFLUIGPMPSRZ-GOSISDBHSA-N 2 1 317.477 2.043 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636230 798659973 /nfs/dbraw/zinc/65/99/73/798659973.db2.gz HKFOSOIWKMWBPA-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160353546 798679264 /nfs/dbraw/zinc/67/92/64/798679264.db2.gz XFIRFBCHOLKHEJ-QGZVFWFLSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924451 798968893 /nfs/dbraw/zinc/96/88/93/798968893.db2.gz CYPUAZLYNFOKDI-IAGOWNOFSA-N 2 1 317.477 2.021 20 30 DEEDMP Cc1[nH+]c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)ccc1CC#N ZINC001163135810 799257052 /nfs/dbraw/zinc/25/70/52/799257052.db2.gz MDDYAGHRLLKWFD-UHFFFAOYSA-N 2 1 309.417 2.002 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493352 800061191 /nfs/dbraw/zinc/06/11/91/800061191.db2.gz UDDGJNQOXZYXKG-JKSUJKDBSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576882 800084206 /nfs/dbraw/zinc/08/42/06/800084206.db2.gz KOXORTZDYGABDP-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709738 800110287 /nfs/dbraw/zinc/11/02/87/800110287.db2.gz XZJFBXNUDOBRBZ-CQSZACIVSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730722 800112724 /nfs/dbraw/zinc/11/27/24/800112724.db2.gz MCXWRBLSTJHFTR-HOTGVXAUSA-N 2 1 316.449 2.175 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1OC ZINC001205266717 800333248 /nfs/dbraw/zinc/33/32/48/800333248.db2.gz WPGDUWIFCYVPGL-SFHVURJKSA-N 2 1 302.418 2.411 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672745 800398669 /nfs/dbraw/zinc/39/86/69/800398669.db2.gz LKDYJSYVYCNESN-SFHVURJKSA-N 2 1 304.434 2.317 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208073962 800906906 /nfs/dbraw/zinc/90/69/06/800906906.db2.gz QYYLQAKLOVPXFJ-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250354 801158798 /nfs/dbraw/zinc/15/87/98/801158798.db2.gz DDNDZYRDLQZMGB-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229199863 801239670 /nfs/dbraw/zinc/23/96/70/801239670.db2.gz GJDTVXJKMSIMDG-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591606 801430304 /nfs/dbraw/zinc/43/03/04/801430304.db2.gz DHXXOHGBNVMQPI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628932 801442047 /nfs/dbraw/zinc/44/20/47/801442047.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628932 801442049 /nfs/dbraw/zinc/44/20/49/801442049.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628932 801442054 /nfs/dbraw/zinc/44/20/54/801442054.db2.gz LHLVPUTUNLVEKN-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562364 802594245 /nfs/dbraw/zinc/59/42/45/802594245.db2.gz ZJBLAPXHAGDTNO-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562364 802594248 /nfs/dbraw/zinc/59/42/48/802594248.db2.gz ZJBLAPXHAGDTNO-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562364 802594251 /nfs/dbraw/zinc/59/42/51/802594251.db2.gz ZJBLAPXHAGDTNO-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877920 802623081 /nfs/dbraw/zinc/62/30/81/802623081.db2.gz QXOABPCXMGNHQO-KURKYZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223707686 802809457 /nfs/dbraw/zinc/80/94/57/802809457.db2.gz YHTMEDDNBDTGGE-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697746 802810091 /nfs/dbraw/zinc/81/00/91/802810091.db2.gz JUAGKJOXFRGLOE-FGTMMUONSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224535192 802879742 /nfs/dbraw/zinc/87/97/42/802879742.db2.gz DQYNOFZJUVDBKQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001225206421 802943933 /nfs/dbraw/zinc/94/39/33/802943933.db2.gz DSQDGKWPBPHUQC-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226333943 803092468 /nfs/dbraw/zinc/09/24/68/803092468.db2.gz QIIJUIRDARFJRP-ARFHVFGLSA-N 2 1 316.449 2.047 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=C)C ZINC001226859983 803169619 /nfs/dbraw/zinc/16/96/19/803169619.db2.gz FOGLYPMADVKKHN-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(=C)C ZINC001226859983 803169622 /nfs/dbraw/zinc/16/96/22/803169622.db2.gz FOGLYPMADVKKHN-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228646545 803386202 /nfs/dbraw/zinc/38/62/02/803386202.db2.gz HMQKSJUSYIDRMA-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001331073970 1149374880 /nfs/dbraw/zinc/37/48/80/1149374880.db2.gz FLSJBCBQTSRJTR-HZPDHXFCSA-N 2 1 307.482 2.358 20 30 DEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395202 1150405404 /nfs/dbraw/zinc/40/54/04/1150405404.db2.gz RMMOSBYPHHANPZ-INIZCTEOSA-N 2 1 314.433 2.207 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001331472597 1149474039 /nfs/dbraw/zinc/47/40/39/1149474039.db2.gz BGFZTUZJPOPZFL-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001331472597 1149474055 /nfs/dbraw/zinc/47/40/55/1149474055.db2.gz BGFZTUZJPOPZFL-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001368500401 1148469036 /nfs/dbraw/zinc/46/90/36/1148469036.db2.gz CQTCWDYXBXHJEX-OKILXGFUSA-N 2 1 324.856 2.243 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001328577410 1148812542 /nfs/dbraw/zinc/81/25/42/1148812542.db2.gz FSOWUHRQBZKLJY-UHFFFAOYSA-N 2 1 318.465 2.479 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001328577410 1148812544 /nfs/dbraw/zinc/81/25/44/1148812544.db2.gz FSOWUHRQBZKLJY-UHFFFAOYSA-N 2 1 318.465 2.479 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328748835 1148831158 /nfs/dbraw/zinc/83/11/58/1148831158.db2.gz IIHSZRKCTZVIJS-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783905 1148834774 /nfs/dbraw/zinc/83/47/74/1148834774.db2.gz AGIWGDJYCWUEDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001328783905 1148834781 /nfs/dbraw/zinc/83/47/81/1148834781.db2.gz AGIWGDJYCWUEDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001328859328 1148842268 /nfs/dbraw/zinc/84/22/68/1148842268.db2.gz PLWRLRCPPAGKPW-SJJHQCBESA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001500295421 1058672776 /nfs/dbraw/zinc/67/27/76/1058672776.db2.gz KNQUOYRIIVBFGQ-IBGZPJMESA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001500295421 1058672785 /nfs/dbraw/zinc/67/27/85/1058672785.db2.gz KNQUOYRIIVBFGQ-IBGZPJMESA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001500295421 1058672799 /nfs/dbraw/zinc/67/27/99/1058672799.db2.gz KNQUOYRIIVBFGQ-IBGZPJMESA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001500295421 1058672806 /nfs/dbraw/zinc/67/28/06/1058672806.db2.gz KNQUOYRIIVBFGQ-IBGZPJMESA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001501140319 1059322872 /nfs/dbraw/zinc/32/28/72/1059322872.db2.gz SXHRUFWIBPCWDB-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001501399191 1059489603 /nfs/dbraw/zinc/48/96/03/1059489603.db2.gz CMWUYMISPXBJMP-KZNAEPCWSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001501746918 1059681799 /nfs/dbraw/zinc/68/17/99/1059681799.db2.gz WQEBIHDQJWTSSL-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001502004625 1059859034 /nfs/dbraw/zinc/85/90/34/1059859034.db2.gz AFAUZZZDRWGQCK-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001369174877 1148861104 /nfs/dbraw/zinc/86/11/04/1148861104.db2.gz VFJOLDOYCWTSDW-HDJSIYSDSA-N 2 1 324.856 2.243 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505430898 1060582547 /nfs/dbraw/zinc/58/25/47/1060582547.db2.gz LVTJAILCPUNYMH-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473807160 1060730220 /nfs/dbraw/zinc/73/02/20/1060730220.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473807160 1060730232 /nfs/dbraw/zinc/73/02/32/1060730232.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473807160 1060730242 /nfs/dbraw/zinc/73/02/42/1060730242.db2.gz KETRZTZKZSBPRI-CEXWTWQISA-N 2 1 300.446 2.377 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C(C)(C)C1 ZINC001506750516 1062359034 /nfs/dbraw/zinc/35/90/34/1062359034.db2.gz GMIWOWFAWRQARZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001506750516 1062359050 /nfs/dbraw/zinc/35/90/50/1062359050.db2.gz GMIWOWFAWRQARZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001506750516 1062359073 /nfs/dbraw/zinc/35/90/73/1062359073.db2.gz GMIWOWFAWRQARZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190348 1062442846 /nfs/dbraw/zinc/44/28/46/1062442846.db2.gz ZVJBHTKUQNHSTF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480255167 1062538877 /nfs/dbraw/zinc/53/88/77/1062538877.db2.gz QRIMJTHTSTZOQY-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480255167 1062538897 /nfs/dbraw/zinc/53/88/97/1062538897.db2.gz QRIMJTHTSTZOQY-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480255167 1062538914 /nfs/dbraw/zinc/53/89/14/1062538914.db2.gz QRIMJTHTSTZOQY-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480385889 1062770904 /nfs/dbraw/zinc/77/09/04/1062770904.db2.gz FSPJMRHLBOXTFB-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385889 1062770919 /nfs/dbraw/zinc/77/09/19/1062770919.db2.gz FSPJMRHLBOXTFB-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385889 1062770933 /nfs/dbraw/zinc/77/09/33/1062770933.db2.gz FSPJMRHLBOXTFB-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480833876 1063426102 /nfs/dbraw/zinc/42/61/02/1063426102.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480833876 1063426117 /nfs/dbraw/zinc/42/61/17/1063426117.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480833876 1063426129 /nfs/dbraw/zinc/42/61/29/1063426129.db2.gz ZFXLMIHFLWAQFS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493957291 1064040042 /nfs/dbraw/zinc/04/00/42/1064040042.db2.gz SWPAZFPQIIBWHR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001493957291 1064040053 /nfs/dbraw/zinc/04/00/53/1064040053.db2.gz SWPAZFPQIIBWHR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001493957291 1064040060 /nfs/dbraw/zinc/04/00/60/1064040060.db2.gz SWPAZFPQIIBWHR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054938 1064106164 /nfs/dbraw/zinc/10/61/64/1064106164.db2.gz LRFMSJCJNWFVSE-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054938 1064106168 /nfs/dbraw/zinc/10/61/68/1064106168.db2.gz LRFMSJCJNWFVSE-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001494137701 1064135997 /nfs/dbraw/zinc/13/59/97/1064135997.db2.gz NRSLERGPIUGJFD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494137701 1064136003 /nfs/dbraw/zinc/13/60/03/1064136003.db2.gz NRSLERGPIUGJFD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001494137701 1064136008 /nfs/dbraw/zinc/13/60/08/1064136008.db2.gz NRSLERGPIUGJFD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494139764 1064137116 /nfs/dbraw/zinc/13/71/16/1064137116.db2.gz CWJCQUCLRJJPKU-INIZCTEOSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494139764 1064137122 /nfs/dbraw/zinc/13/71/22/1064137122.db2.gz CWJCQUCLRJJPKU-INIZCTEOSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001494139764 1064137128 /nfs/dbraw/zinc/13/71/28/1064137128.db2.gz CWJCQUCLRJJPKU-INIZCTEOSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCC(C)(C)C)CC1 ZINC001567354245 1064154656 /nfs/dbraw/zinc/15/46/56/1064154656.db2.gz VXXYIUZSTJLHKK-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660101 1064324203 /nfs/dbraw/zinc/32/42/03/1064324203.db2.gz SWLXPWVGIDRCED-RCCFBDPRSA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567682792 1064339871 /nfs/dbraw/zinc/33/98/71/1064339871.db2.gz PLCSEKXSSPHAMO-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567682792 1064339883 /nfs/dbraw/zinc/33/98/83/1064339883.db2.gz PLCSEKXSSPHAMO-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567682792 1064339894 /nfs/dbraw/zinc/33/98/94/1064339894.db2.gz PLCSEKXSSPHAMO-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567687861 1064347318 /nfs/dbraw/zinc/34/73/18/1064347318.db2.gz ATUPWDZPUWAEJN-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699478 1064355600 /nfs/dbraw/zinc/35/56/00/1064355600.db2.gz LXSBOLCDABOJGI-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CC[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567706399 1064364789 /nfs/dbraw/zinc/36/47/89/1064364789.db2.gz VHEKWJDYNXDLFF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567706399 1064364803 /nfs/dbraw/zinc/36/48/03/1064364803.db2.gz VHEKWJDYNXDLFF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567706399 1064364813 /nfs/dbraw/zinc/36/48/13/1064364813.db2.gz VHEKWJDYNXDLFF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567727401 1064380990 /nfs/dbraw/zinc/38/09/90/1064380990.db2.gz IBJHJAKIHADKKJ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567727401 1064381004 /nfs/dbraw/zinc/38/10/04/1064381004.db2.gz IBJHJAKIHADKKJ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001567727401 1064381011 /nfs/dbraw/zinc/38/10/11/1064381011.db2.gz IBJHJAKIHADKKJ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567729502 1064382040 /nfs/dbraw/zinc/38/20/40/1064382040.db2.gz IGGDNRUTPCGXOG-HOTGVXAUSA-N 2 1 313.461 2.023 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567738658 1064390023 /nfs/dbraw/zinc/39/00/23/1064390023.db2.gz RFSVFNCHYTTZFC-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568176005 1064685177 /nfs/dbraw/zinc/68/51/77/1064685177.db2.gz PIYXUSQJMLVWOJ-DOTOQJQBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001568506562 1064919296 /nfs/dbraw/zinc/91/92/96/1064919296.db2.gz QQKCUDQRAGTAPE-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568928062 1065196116 /nfs/dbraw/zinc/19/61/16/1065196116.db2.gz HAXHNEKEQKJBSF-NFAHFFEMSA-N 2 1 313.873 2.264 20 30 DEEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569203449 1065364378 /nfs/dbraw/zinc/36/43/78/1065364378.db2.gz VBEOEOZECKIJOF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001569548929 1065585565 /nfs/dbraw/zinc/58/55/65/1065585565.db2.gz ISWGBNXSBJLKED-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001569611016 1065622748 /nfs/dbraw/zinc/62/27/48/1065622748.db2.gz YYVSEAQJGJJLJW-SZMVWBNQSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001569695880 1065677143 /nfs/dbraw/zinc/67/71/43/1065677143.db2.gz UHOOKNMTMLPJEJ-MJGOQNOKSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001626751062 1078261504 /nfs/dbraw/zinc/26/15/04/1078261504.db2.gz RBICWBRSDXSORN-UHFFFAOYSA-N 2 1 303.450 2.328 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570014046 1065882865 /nfs/dbraw/zinc/88/28/65/1065882865.db2.gz XDQDHJPAHCMGBJ-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570039178 1065898762 /nfs/dbraw/zinc/89/87/62/1065898762.db2.gz HPWGQSMPFTUUPK-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001570510502 1066101052 /nfs/dbraw/zinc/10/10/52/1066101052.db2.gz DCHJIEQBXHSCHL-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC001576635730 1066650435 /nfs/dbraw/zinc/65/04/35/1066650435.db2.gz DAYFEERQMZDHTD-CSLYMUCUSA-N 2 1 322.497 2.222 20 30 DEEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC001576635730 1066650436 /nfs/dbraw/zinc/65/04/36/1066650436.db2.gz DAYFEERQMZDHTD-CSLYMUCUSA-N 2 1 322.497 2.222 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001634640331 1078434367 /nfs/dbraw/zinc/43/43/67/1078434367.db2.gz BJFFGRWKZKYJMT-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001499530212 1067248534 /nfs/dbraw/zinc/24/85/34/1067248534.db2.gz FWMYQNXTLTVMKW-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001267108358 1078586207 /nfs/dbraw/zinc/58/62/07/1078586207.db2.gz NIQZZGVPLSLXFR-INIZCTEOSA-N 2 1 318.465 2.242 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001483564998 1078600625 /nfs/dbraw/zinc/60/06/25/1078600625.db2.gz ANHKYHFSJJEADQ-MSOLQXFVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001483584163 1078612145 /nfs/dbraw/zinc/61/21/45/1078612145.db2.gz VXSJBZZCJZUILQ-ZWKOTPCHSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001483584160 1078612299 /nfs/dbraw/zinc/61/22/99/1078612299.db2.gz VXSJBZZCJZUILQ-MSOLQXFVSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267181745 1078646127 /nfs/dbraw/zinc/64/61/27/1078646127.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267181745 1078646136 /nfs/dbraw/zinc/64/61/36/1078646136.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267181745 1078646142 /nfs/dbraw/zinc/64/61/42/1078646142.db2.gz NBHXLRBAWRGYAT-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001267191809 1078653895 /nfs/dbraw/zinc/65/38/95/1078653895.db2.gz YZOJGULYHRSKRL-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001520328772 1069120421 /nfs/dbraw/zinc/12/04/21/1069120421.db2.gz JXICCRXZEBDSIP-FUHWJXTLSA-N 2 1 317.477 2.344 20 30 DEEDMP C=C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001520328772 1069120428 /nfs/dbraw/zinc/12/04/28/1069120428.db2.gz JXICCRXZEBDSIP-FUHWJXTLSA-N 2 1 317.477 2.344 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267520548 1078950722 /nfs/dbraw/zinc/95/07/22/1078950722.db2.gz MFUFJRFXGCAXGO-QZTJIDSGSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267601563 1079137930 /nfs/dbraw/zinc/13/79/30/1079137930.db2.gz PDYJHJSODKUNAS-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001267601563 1079137937 /nfs/dbraw/zinc/13/79/37/1079137937.db2.gz PDYJHJSODKUNAS-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001267601563 1079137941 /nfs/dbraw/zinc/13/79/41/1079137941.db2.gz PDYJHJSODKUNAS-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811660 1079135733 /nfs/dbraw/zinc/13/57/33/1079135733.db2.gz VWASOLSEOOIORM-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001483863048 1079157683 /nfs/dbraw/zinc/15/76/83/1079157683.db2.gz KRGJOPATNHHIDB-DOTOQJQBSA-N 2 1 307.482 2.357 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481145770 1079252855 /nfs/dbraw/zinc/25/28/55/1079252855.db2.gz KAMAEWHSRGEBDA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001481145770 1079252859 /nfs/dbraw/zinc/25/28/59/1079252859.db2.gz KAMAEWHSRGEBDA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001481145770 1079252866 /nfs/dbraw/zinc/25/28/66/1079252866.db2.gz KAMAEWHSRGEBDA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001481145770 1079252869 /nfs/dbraw/zinc/25/28/69/1079252869.db2.gz KAMAEWHSRGEBDA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCN1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001565832013 1075192300 /nfs/dbraw/zinc/19/23/00/1075192300.db2.gz SHIGNRQDSHQUHZ-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267683643 1079371914 /nfs/dbraw/zinc/37/19/14/1079371914.db2.gz SHCZTCSTLRLCOX-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001566556125 1075281281 /nfs/dbraw/zinc/28/12/81/1075281281.db2.gz DFZSSFUCKKDBGI-UHFFFAOYSA-N 2 1 312.417 2.108 20 30 DEEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001566566666 1075284241 /nfs/dbraw/zinc/28/42/41/1075284241.db2.gz INJFYZWTQCNYPH-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001566674520 1075313200 /nfs/dbraw/zinc/31/32/00/1075313200.db2.gz SZVGTAMXRXZALJ-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001566674520 1075313204 /nfs/dbraw/zinc/31/32/04/1075313204.db2.gz SZVGTAMXRXZALJ-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001566674520 1075313207 /nfs/dbraw/zinc/31/32/07/1075313207.db2.gz SZVGTAMXRXZALJ-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566898632 1075377761 /nfs/dbraw/zinc/37/77/61/1075377761.db2.gz FNQXTCDAMMFOIF-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267725210 1079414498 /nfs/dbraw/zinc/41/44/98/1079414498.db2.gz JHZKPAAYWXIGTB-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001369300191 1148895158 /nfs/dbraw/zinc/89/51/58/1148895158.db2.gz ZKLYHFIPCQWUGW-ZDUSSCGKSA-N 2 1 312.845 2.196 20 30 DEEDMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267919104 1079601496 /nfs/dbraw/zinc/60/14/96/1079601496.db2.gz PAAGJQYHIHNNPM-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001267942080 1079622566 /nfs/dbraw/zinc/62/25/66/1079622566.db2.gz ACQIIPRAJUUXSE-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001481369078 1079761099 /nfs/dbraw/zinc/76/10/99/1079761099.db2.gz PLFAATLTKCRPRZ-QGZVFWFLSA-N 2 1 312.417 2.215 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062415 1079953301 /nfs/dbraw/zinc/95/33/01/1079953301.db2.gz ZBCQFBJEMPSCTF-GOSISDBHSA-N 2 1 322.412 2.042 20 30 DEEDMP C#CCN(C)C[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062415 1079953308 /nfs/dbraw/zinc/95/33/08/1079953308.db2.gz ZBCQFBJEMPSCTF-GOSISDBHSA-N 2 1 322.412 2.042 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001481528875 1080005997 /nfs/dbraw/zinc/00/59/97/1080005997.db2.gz QAWOMDIXLRSYCL-JKSUJKDBSA-N 2 1 304.438 2.381 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481535976 1080019578 /nfs/dbraw/zinc/01/95/78/1080019578.db2.gz QMSQVXHXKUQDGE-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481535976 1080019589 /nfs/dbraw/zinc/01/95/89/1080019589.db2.gz QMSQVXHXKUQDGE-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268082320 1080036164 /nfs/dbraw/zinc/03/61/64/1080036164.db2.gz VWSPWUUVMQKKHP-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001656108945 1080047985 /nfs/dbraw/zinc/04/79/85/1080047985.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001656108945 1080047987 /nfs/dbraw/zinc/04/79/87/1080047987.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001656108945 1080047993 /nfs/dbraw/zinc/04/79/93/1080047993.db2.gz AOHYDLMOVLUHMI-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001268214536 1080200333 /nfs/dbraw/zinc/20/03/33/1080200333.db2.gz VLGXNHCJLADBMA-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001485449046 1080213248 /nfs/dbraw/zinc/21/32/48/1080213248.db2.gz DUKGNUJEVNLDGY-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1nccn1C ZINC001485479791 1080244125 /nfs/dbraw/zinc/24/41/25/1080244125.db2.gz HBHROZMKPIZSPG-MRXNPFEDSA-N 2 1 318.465 2.290 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001481670317 1080281334 /nfs/dbraw/zinc/28/13/34/1080281334.db2.gz FPSVDAGNZAGNRQ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001481670317 1080281343 /nfs/dbraw/zinc/28/13/43/1080281343.db2.gz FPSVDAGNZAGNRQ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001481670317 1080281352 /nfs/dbraw/zinc/28/13/52/1080281352.db2.gz FPSVDAGNZAGNRQ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001481688538 1080299230 /nfs/dbraw/zinc/29/92/30/1080299230.db2.gz ZAUZZPLURROYDT-ZWKOTPCHSA-N 2 1 321.509 2.489 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001485671023 1080357198 /nfs/dbraw/zinc/35/71/98/1080357198.db2.gz WCFRYRXCPRPOAN-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001485671023 1080357206 /nfs/dbraw/zinc/35/72/06/1080357206.db2.gz WCFRYRXCPRPOAN-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001485671023 1080357215 /nfs/dbraw/zinc/35/72/15/1080357215.db2.gz WCFRYRXCPRPOAN-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661034384 1080432022 /nfs/dbraw/zinc/43/20/22/1080432022.db2.gz DXDBCDLQVHCHFK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661034384 1080432025 /nfs/dbraw/zinc/43/20/25/1080432025.db2.gz DXDBCDLQVHCHFK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034384 1080432029 /nfs/dbraw/zinc/43/20/29/1080432029.db2.gz DXDBCDLQVHCHFK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034384 1080432030 /nfs/dbraw/zinc/43/20/30/1080432030.db2.gz DXDBCDLQVHCHFK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272718271 1080499251 /nfs/dbraw/zinc/49/92/51/1080499251.db2.gz GBHKSKKFSVQJLK-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001661613907 1080499466 /nfs/dbraw/zinc/49/94/66/1080499466.db2.gz BFFVDKDLCZLRPS-YYIAUSFCSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001661613906 1080499537 /nfs/dbraw/zinc/49/95/37/1080499537.db2.gz BFFVDKDLCZLRPS-YVSFHVDLSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782892 1080501016 /nfs/dbraw/zinc/50/10/16/1080501016.db2.gz SZAAVAUUBUXIBD-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977882 1080550952 /nfs/dbraw/zinc/55/09/52/1080550952.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977882 1080550954 /nfs/dbraw/zinc/55/09/54/1080550954.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977882 1080550960 /nfs/dbraw/zinc/55/09/60/1080550960.db2.gz PUKGSHGSCZKSEE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001662675920 1080632334 /nfs/dbraw/zinc/63/23/34/1080632334.db2.gz UXQKTMPZUOKZED-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268539427 1080733964 /nfs/dbraw/zinc/73/39/64/1080733964.db2.gz SYGNTUBBZMPJQS-WLMCBFPDSA-N 2 1 305.466 2.089 20 30 DEEDMP C=C(C)C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001664521802 1080921645 /nfs/dbraw/zinc/92/16/45/1080921645.db2.gz NHYFBQOKOWJGRY-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001664667899 1080939738 /nfs/dbraw/zinc/93/97/38/1080939738.db2.gz SBTBZHOSRICQKT-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001664667899 1080939743 /nfs/dbraw/zinc/93/97/43/1080939743.db2.gz SBTBZHOSRICQKT-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001664667899 1080939747 /nfs/dbraw/zinc/93/97/47/1080939747.db2.gz SBTBZHOSRICQKT-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664807007 1080963291 /nfs/dbraw/zinc/96/32/91/1080963291.db2.gz PKEKPOLHHFNCBO-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001664884760 1080976546 /nfs/dbraw/zinc/97/65/46/1080976546.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001664884760 1080976556 /nfs/dbraw/zinc/97/65/56/1080976556.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001664884760 1080976564 /nfs/dbraw/zinc/97/65/64/1080976564.db2.gz XTEKDUCQVYODOO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665545646 1081039634 /nfs/dbraw/zinc/03/96/34/1081039634.db2.gz IQZRLGCXQQYECP-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665545646 1081039640 /nfs/dbraw/zinc/03/96/40/1081039640.db2.gz IQZRLGCXQQYECP-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001666547048 1081161447 /nfs/dbraw/zinc/16/14/47/1081161447.db2.gz NMFMHRCYICVMLU-SJORKVTESA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667129229 1081214288 /nfs/dbraw/zinc/21/42/88/1081214288.db2.gz CXYVPINRYHLEDY-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001667584855 1081266326 /nfs/dbraw/zinc/26/63/26/1081266326.db2.gz IFOYWOCAODMSMT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001667584855 1081266331 /nfs/dbraw/zinc/26/63/31/1081266331.db2.gz IFOYWOCAODMSMT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001667584855 1081266336 /nfs/dbraw/zinc/26/63/36/1081266336.db2.gz IFOYWOCAODMSMT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558113 1081290577 /nfs/dbraw/zinc/29/05/77/1081290577.db2.gz WOUPMFNMWKWWHD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001269735699 1081349925 /nfs/dbraw/zinc/34/99/25/1081349925.db2.gz DBIIGPKWCMPZRD-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001269735699 1081349931 /nfs/dbraw/zinc/34/99/31/1081349931.db2.gz DBIIGPKWCMPZRD-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001269735699 1081349934 /nfs/dbraw/zinc/34/99/34/1081349934.db2.gz DBIIGPKWCMPZRD-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001269870972 1081386688 /nfs/dbraw/zinc/38/66/88/1081386688.db2.gz ICVVNOUWQIXOBN-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270011130 1081426890 /nfs/dbraw/zinc/42/68/90/1081426890.db2.gz RCQQIDBMOYWSKU-QBPKDAKJSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001669811666 1081471121 /nfs/dbraw/zinc/47/11/21/1081471121.db2.gz PDMOIPGKKMQZKW-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001669811666 1081471122 /nfs/dbraw/zinc/47/11/22/1081471122.db2.gz PDMOIPGKKMQZKW-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482283068 1081509830 /nfs/dbraw/zinc/50/98/30/1081509830.db2.gz CDOPKQOIIAWEAU-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001671748315 1081536596 /nfs/dbraw/zinc/53/65/96/1081536596.db2.gz SIUKKSFHRZDJOO-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001671775824 1081538332 /nfs/dbraw/zinc/53/83/32/1081538332.db2.gz XPZUYTYQWCYAAG-BQFCYCMXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001673168720 1081744032 /nfs/dbraw/zinc/74/40/32/1081744032.db2.gz SUTXICCGAODIFH-INIZCTEOSA-N 2 1 319.493 2.456 20 30 DEEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001270991240 1081867910 /nfs/dbraw/zinc/86/79/10/1081867910.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001270991240 1081867913 /nfs/dbraw/zinc/86/79/13/1081867913.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001270991240 1081867920 /nfs/dbraw/zinc/86/79/20/1081867920.db2.gz MFHNALWJRFGTRN-GOSISDBHSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001674457809 1081875151 /nfs/dbraw/zinc/87/51/51/1081875151.db2.gz NRHVNKVLMAAJQK-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001482462754 1081925167 /nfs/dbraw/zinc/92/51/67/1081925167.db2.gz OTLKJAPNSJKIJM-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266573234 1082167478 /nfs/dbraw/zinc/16/74/78/1082167478.db2.gz MXFPKLJYSHKBIG-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001271839040 1082169401 /nfs/dbraw/zinc/16/94/01/1082169401.db2.gz PVLPNZRXKBOLAC-SJLPKXTDSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001482598970 1082362441 /nfs/dbraw/zinc/36/24/41/1082362441.db2.gz YJIOJOYVVLPLKN-UHFFFAOYSA-N 2 1 318.465 2.118 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266859058 1082403739 /nfs/dbraw/zinc/40/37/39/1082403739.db2.gz WRPYHCAISHTYDT-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266860216 1082404642 /nfs/dbraw/zinc/40/46/42/1082404642.db2.gz ZUJLGGWDVBSJPM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001496869338 1083059132 /nfs/dbraw/zinc/05/91/32/1083059132.db2.gz PQEVOVVSILSPEH-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001496869338 1083059134 /nfs/dbraw/zinc/05/91/34/1083059134.db2.gz PQEVOVVSILSPEH-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001496869338 1083059138 /nfs/dbraw/zinc/05/91/38/1083059138.db2.gz PQEVOVVSILSPEH-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001277152745 1083813405 /nfs/dbraw/zinc/81/34/05/1083813405.db2.gz UTVNYMIQXHLYLY-VQIMIIECSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277393886 1083942984 /nfs/dbraw/zinc/94/29/84/1083942984.db2.gz RYKFAITZQUMEET-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923085 1084147502 /nfs/dbraw/zinc/14/75/02/1084147502.db2.gz IJXFZGZZHOTCQV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491222926 1084166601 /nfs/dbraw/zinc/16/66/01/1084166601.db2.gz SZWDLZVRUJBGGV-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001491247005 1084185777 /nfs/dbraw/zinc/18/57/77/1084185777.db2.gz IENKLQOOFYUOIZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001671044738 1084228893 /nfs/dbraw/zinc/22/88/93/1084228893.db2.gz KPVKXCTVIQZGFO-SFHVURJKSA-N 2 1 316.449 2.233 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277915356 1084266405 /nfs/dbraw/zinc/26/64/05/1084266405.db2.gz XRBRCBFPRAYIBV-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277915355 1084266806 /nfs/dbraw/zinc/26/68/06/1084266806.db2.gz XRBRCBFPRAYIBV-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C ZINC001272837547 1084361732 /nfs/dbraw/zinc/36/17/32/1084361732.db2.gz JDJORQSXLPPQFF-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C ZINC001272837547 1084361743 /nfs/dbraw/zinc/36/17/43/1084361743.db2.gz JDJORQSXLPPQFF-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425467 1084425617 /nfs/dbraw/zinc/42/56/17/1084425617.db2.gz LHQGLVJNHZQJPV-IAGOWNOFSA-N 2 1 323.481 2.343 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960286021 1085182641 /nfs/dbraw/zinc/18/26/41/1085182641.db2.gz DMTZZOREZRONHA-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960286021 1085182660 /nfs/dbraw/zinc/18/26/60/1085182660.db2.gz DMTZZOREZRONHA-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960286021 1085182682 /nfs/dbraw/zinc/18/26/82/1085182682.db2.gz DMTZZOREZRONHA-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964644287 1085333828 /nfs/dbraw/zinc/33/38/28/1085333828.db2.gz NIMICFJZRYBLBG-FIXVGMIGSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960723649 1085427156 /nfs/dbraw/zinc/42/71/56/1085427156.db2.gz QYFIEEQFCRURRS-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960723649 1085427161 /nfs/dbraw/zinc/42/71/61/1085427161.db2.gz QYFIEEQFCRURRS-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960723649 1085427164 /nfs/dbraw/zinc/42/71/64/1085427164.db2.gz QYFIEEQFCRURRS-XDNAFOTISA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443900 1085735352 /nfs/dbraw/zinc/73/53/52/1085735352.db2.gz XZZXYNABBAHYJB-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443900 1085735361 /nfs/dbraw/zinc/73/53/61/1085735361.db2.gz XZZXYNABBAHYJB-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443900 1085735372 /nfs/dbraw/zinc/73/53/72/1085735372.db2.gz XZZXYNABBAHYJB-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCC1 ZINC001273105584 1086201384 /nfs/dbraw/zinc/20/13/84/1086201384.db2.gz DEZOPFYEEMTEMF-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000963158227 1086318792 /nfs/dbraw/zinc/31/87/92/1086318792.db2.gz VDVNKZZDZNOERX-YMAMQOFZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273143323 1086670239 /nfs/dbraw/zinc/67/02/39/1086670239.db2.gz FEALJMZKHRMYKT-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017510 1088564562 /nfs/dbraw/zinc/56/45/62/1088564562.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017510 1088564574 /nfs/dbraw/zinc/56/45/74/1088564574.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017510 1088564583 /nfs/dbraw/zinc/56/45/83/1088564583.db2.gz MCMYFFNUJASQEU-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557520 1089061636 /nfs/dbraw/zinc/06/16/36/1089061636.db2.gz YBNRONXCYFMWNZ-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557520 1089061651 /nfs/dbraw/zinc/06/16/51/1089061651.db2.gz YBNRONXCYFMWNZ-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3C(C)C)[C@@H]2C1 ZINC001084700346 1090401720 /nfs/dbraw/zinc/40/17/20/1090401720.db2.gz CQZBSZBRXNBIKX-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084700346 1090401722 /nfs/dbraw/zinc/40/17/22/1090401722.db2.gz CQZBSZBRXNBIKX-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001274611830 1091323550 /nfs/dbraw/zinc/32/35/50/1091323550.db2.gz WVQHRXMTLSPKIE-KBOKABMXSA-N 2 1 301.434 2.127 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001273427376 1091351323 /nfs/dbraw/zinc/35/13/23/1091351323.db2.gz INENNOSNVFJELH-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001273427376 1091351335 /nfs/dbraw/zinc/35/13/35/1091351335.db2.gz INENNOSNVFJELH-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001273427376 1091351345 /nfs/dbraw/zinc/35/13/45/1091351345.db2.gz INENNOSNVFJELH-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001276040995 1091466414 /nfs/dbraw/zinc/46/64/14/1091466414.db2.gz URDNHIBHRWVSSJ-LJQANCHMSA-N 2 1 323.525 2.461 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001488916715 1092815094 /nfs/dbraw/zinc/81/50/94/1092815094.db2.gz CFIGAPVQKNGBQU-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001489312097 1093036302 /nfs/dbraw/zinc/03/63/02/1093036302.db2.gz SXBPORFUHHRKJL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCCC[C@@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001253250528 1093701994 /nfs/dbraw/zinc/70/19/94/1093701994.db2.gz BHTQTKVJASSQFC-GOSISDBHSA-N 2 1 311.514 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446404 1140333492 /nfs/dbraw/zinc/33/34/92/1140333492.db2.gz VJLWZUBNXCRWKJ-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446404 1140333501 /nfs/dbraw/zinc/33/35/01/1140333501.db2.gz VJLWZUBNXCRWKJ-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001318684950 1140385644 /nfs/dbraw/zinc/38/56/44/1140385644.db2.gz CCLJPSCKAPHGRX-SJLPKXTDSA-N 2 1 307.482 2.310 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023349 1140848422 /nfs/dbraw/zinc/84/84/22/1140848422.db2.gz PLLVKXQGHIBWLA-SJORKVTESA-N 2 1 300.487 2.274 20 30 DEEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246642986 1141020084 /nfs/dbraw/zinc/02/00/84/1141020084.db2.gz NTPUCQCJXPZIJL-MHJFOBGBSA-N 2 1 324.472 2.028 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246732798 1141046922 /nfs/dbraw/zinc/04/69/22/1141046922.db2.gz IBHJCGCOGDGJTP-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246732798 1141046932 /nfs/dbraw/zinc/04/69/32/1141046932.db2.gz IBHJCGCOGDGJTP-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCCNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001247709019 1141441749 /nfs/dbraw/zinc/44/17/49/1141441749.db2.gz FHEDHWKJYJGIQS-UHFFFAOYSA-N 2 1 319.478 2.086 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323721062 1141880046 /nfs/dbraw/zinc/88/00/46/1141880046.db2.gz DDGQFRMGVPLVCN-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323721062 1141880047 /nfs/dbraw/zinc/88/00/47/1141880047.db2.gz DDGQFRMGVPLVCN-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323721062 1141880048 /nfs/dbraw/zinc/88/00/48/1141880048.db2.gz DDGQFRMGVPLVCN-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CCCCCCCC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252133313 1142651230 /nfs/dbraw/zinc/65/12/30/1142651230.db2.gz IFAWUJCSSMXNLS-SFHVURJKSA-N 2 1 313.530 2.325 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC001338492613 1142859410 /nfs/dbraw/zinc/85/94/10/1142859410.db2.gz VISPLEAAFHKHGA-VQIMIIECSA-N 2 1 300.446 2.228 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650077 1143299308 /nfs/dbraw/zinc/29/93/08/1143299308.db2.gz SJOANCDHSCENJO-MANSERQUSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650077 1143299342 /nfs/dbraw/zinc/29/93/42/1143299342.db2.gz SJOANCDHSCENJO-MANSERQUSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001256202452 1143835300 /nfs/dbraw/zinc/83/53/00/1143835300.db2.gz DZDHECAEFROFLX-GOSISDBHSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001256202452 1143835301 /nfs/dbraw/zinc/83/53/01/1143835301.db2.gz DZDHECAEFROFLX-GOSISDBHSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001256202452 1143835302 /nfs/dbraw/zinc/83/53/02/1143835302.db2.gz DZDHECAEFROFLX-GOSISDBHSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205773 1143835723 /nfs/dbraw/zinc/83/57/23/1143835723.db2.gz YUVNXHJTDJKIDP-ZWKOTPCHSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205773 1143835724 /nfs/dbraw/zinc/83/57/24/1143835724.db2.gz YUVNXHJTDJKIDP-ZWKOTPCHSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001280814340 1143869472 /nfs/dbraw/zinc/86/94/72/1143869472.db2.gz MXHKEUPFMMJPRF-BRWVUGGUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001280814340 1143869475 /nfs/dbraw/zinc/86/94/75/1143869475.db2.gz MXHKEUPFMMJPRF-BRWVUGGUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001280814340 1143869477 /nfs/dbraw/zinc/86/94/77/1143869477.db2.gz MXHKEUPFMMJPRF-BRWVUGGUSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001264127450 1144477125 /nfs/dbraw/zinc/47/71/25/1144477125.db2.gz FTURWJGQFNCRGN-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265046891 1144631510 /nfs/dbraw/zinc/63/15/10/1144631510.db2.gz UILZWVDOVQAKRH-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265046891 1144631511 /nfs/dbraw/zinc/63/15/11/1144631511.db2.gz UILZWVDOVQAKRH-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001265046891 1144631512 /nfs/dbraw/zinc/63/15/12/1144631512.db2.gz UILZWVDOVQAKRH-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001265046891 1144631514 /nfs/dbraw/zinc/63/15/14/1144631514.db2.gz UILZWVDOVQAKRH-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265046889 1144631930 /nfs/dbraw/zinc/63/19/30/1144631930.db2.gz UILZWVDOVQAKRH-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001265046889 1144631935 /nfs/dbraw/zinc/63/19/35/1144631935.db2.gz UILZWVDOVQAKRH-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001265046889 1144631939 /nfs/dbraw/zinc/63/19/39/1144631939.db2.gz UILZWVDOVQAKRH-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001265046889 1144631943 /nfs/dbraw/zinc/63/19/43/1144631943.db2.gz UILZWVDOVQAKRH-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235246 1144674249 /nfs/dbraw/zinc/67/42/49/1144674249.db2.gz LLLHKVLCMBPIPW-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235246 1144674252 /nfs/dbraw/zinc/67/42/52/1144674252.db2.gz LLLHKVLCMBPIPW-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265399173 1144702397 /nfs/dbraw/zinc/70/23/97/1144702397.db2.gz QHVBBTXABODRMQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265399173 1144702398 /nfs/dbraw/zinc/70/23/98/1144702398.db2.gz QHVBBTXABODRMQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265399173 1144702400 /nfs/dbraw/zinc/70/24/00/1144702400.db2.gz QHVBBTXABODRMQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526395 1144709115 /nfs/dbraw/zinc/70/91/15/1144709115.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526395 1144709116 /nfs/dbraw/zinc/70/91/16/1144709116.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526395 1144709119 /nfs/dbraw/zinc/70/91/19/1144709119.db2.gz ZOPTVIPJJLPEPN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526393 1144709247 /nfs/dbraw/zinc/70/92/47/1144709247.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526393 1144709250 /nfs/dbraw/zinc/70/92/50/1144709250.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526393 1144709253 /nfs/dbraw/zinc/70/92/53/1144709253.db2.gz ZOPTVIPJJLPEPN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001265554026 1144711721 /nfs/dbraw/zinc/71/17/21/1144711721.db2.gz KOJBJOCGNLAWTR-JZXOWHBKSA-N 2 1 317.477 2.044 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266112854 1144806577 /nfs/dbraw/zinc/80/65/77/1144806577.db2.gz BMIJIRNBPJYAOD-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266112904 1144806740 /nfs/dbraw/zinc/80/67/40/1144806740.db2.gz CKSAZDYPKGBDJL-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266169548 1144811460 /nfs/dbraw/zinc/81/14/60/1144811460.db2.gz CGPANIHRTBMADJ-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279236782 1144819646 /nfs/dbraw/zinc/81/96/46/1144819646.db2.gz MJFZRVWMMVYBNO-BJWYYQGGSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001279387906 1144821558 /nfs/dbraw/zinc/82/15/58/1144821558.db2.gz FBVNQPKRDRDYSG-FJIDUMEYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001279387906 1144821559 /nfs/dbraw/zinc/82/15/59/1144821559.db2.gz FBVNQPKRDRDYSG-FJIDUMEYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001279387906 1144821560 /nfs/dbraw/zinc/82/15/60/1144821560.db2.gz FBVNQPKRDRDYSG-FJIDUMEYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396285 1144821783 /nfs/dbraw/zinc/82/17/83/1144821783.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396285 1144821784 /nfs/dbraw/zinc/82/17/84/1144821784.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396285 1144821785 /nfs/dbraw/zinc/82/17/85/1144821785.db2.gz RZXQPOSTUHCFCW-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777200 1144854714 /nfs/dbraw/zinc/85/47/14/1144854714.db2.gz OCAJPFBOYWZESM-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281035503 1144869512 /nfs/dbraw/zinc/86/95/12/1144869512.db2.gz CULXTLAYONUULQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001281742941 1144912110 /nfs/dbraw/zinc/91/21/10/1144912110.db2.gz IXFMSEPRXIZJPZ-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001283331747 1145365448 /nfs/dbraw/zinc/36/54/48/1145365448.db2.gz HCFUAFHYUBNDAT-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC001284854146 1145940196 /nfs/dbraw/zinc/94/01/96/1145940196.db2.gz XYBYTYPUMNKCJJ-UHFFFAOYSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001316734478 1147358395 /nfs/dbraw/zinc/35/83/95/1147358395.db2.gz LUGMJRDNVBXOFL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001316734478 1147358400 /nfs/dbraw/zinc/35/84/00/1147358400.db2.gz LUGMJRDNVBXOFL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001316734478 1147358402 /nfs/dbraw/zinc/35/84/02/1147358402.db2.gz LUGMJRDNVBXOFL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001316937909 1147574247 /nfs/dbraw/zinc/57/42/47/1147574247.db2.gz ROGDMJQSDPJVCY-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001317005829 1147578340 /nfs/dbraw/zinc/57/83/40/1147578340.db2.gz LLJTVOXJYIZXTA-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317042776 1147581723 /nfs/dbraw/zinc/58/17/23/1147581723.db2.gz GQVHRVLKVOHGIC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317042776 1147581726 /nfs/dbraw/zinc/58/17/26/1147581726.db2.gz GQVHRVLKVOHGIC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001317038863 1147651502 /nfs/dbraw/zinc/65/15/02/1147651502.db2.gz HKWBFEZQAYSHSC-CQSZACIVSA-N 2 1 304.438 2.044 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001317038863 1147651504 /nfs/dbraw/zinc/65/15/04/1147651504.db2.gz HKWBFEZQAYSHSC-CQSZACIVSA-N 2 1 304.438 2.044 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001367417103 1147691437 /nfs/dbraw/zinc/69/14/37/1147691437.db2.gz HRFVVOVZKNSPNV-AWEZNQCLSA-N 2 1 312.845 2.065 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001317509297 1147717752 /nfs/dbraw/zinc/71/77/52/1147717752.db2.gz HTUVVFBDEVIOQJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001317675801 1147741987 /nfs/dbraw/zinc/74/19/87/1147741987.db2.gz NKYCOLULVSMCMX-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001317708755 1147746090 /nfs/dbraw/zinc/74/60/90/1147746090.db2.gz NFJWKKMBKRVSSM-GOSISDBHSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001326554760 1148141508 /nfs/dbraw/zinc/14/15/08/1148141508.db2.gz FYEHFIQPHNCRRG-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368171465 1148302007 /nfs/dbraw/zinc/30/20/07/1148302007.db2.gz JSOKJHVIYRHVPU-MRXNPFEDSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368171465 1148302013 /nfs/dbraw/zinc/30/20/13/1148302013.db2.gz JSOKJHVIYRHVPU-MRXNPFEDSA-N 2 1 313.873 2.051 20 30 DEEDMP CC[C@]1(C)CCN(C(NC[C@H]2C[N@@H+](CC(C)C)CCO2)=[NH+]C)C1 ZINC000261660413 529396262 /nfs/dbraw/zinc/39/62/62/529396262.db2.gz AXTBDMYTVSEZLV-FUHWJXTLSA-N 2 1 324.513 2.041 20 30 DEEDMP N#Cc1csc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000594616747 358307017 /nfs/dbraw/zinc/30/70/17/358307017.db2.gz IIYJKJVGASOJPO-HNNXBMFYSA-N 2 1 305.447 2.306 20 30 DEEDMP N#Cc1csc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616747 358307022 /nfs/dbraw/zinc/30/70/22/358307022.db2.gz IIYJKJVGASOJPO-HNNXBMFYSA-N 2 1 305.447 2.306 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000442795912 238078745 /nfs/dbraw/zinc/07/87/45/238078745.db2.gz SJOANCDHSCENJO-XWSJACJDSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000442795912 238078748 /nfs/dbraw/zinc/07/87/48/238078748.db2.gz SJOANCDHSCENJO-XWSJACJDSA-N 2 1 313.445 2.151 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000104181747 402199506 /nfs/dbraw/zinc/19/95/06/402199506.db2.gz GVLPUNSTEHPSOR-SFHVURJKSA-N 2 1 314.477 2.352 20 30 DEEDMP Cc1cc(C#N)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000186314445 402420316 /nfs/dbraw/zinc/42/03/16/402420316.db2.gz AXBZFCJQRJJIIU-UHFFFAOYSA-N 2 1 314.477 2.325 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818712 403095063 /nfs/dbraw/zinc/09/50/63/403095063.db2.gz QWQGIIDVVWSLRU-MRXNPFEDSA-N 2 1 313.449 2.099 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153454 403278725 /nfs/dbraw/zinc/27/87/25/403278725.db2.gz RYRMSSTVCJRYME-INIZCTEOSA-N 2 1 313.449 2.365 20 30 DEEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000330607044 403287158 /nfs/dbraw/zinc/28/71/58/403287158.db2.gz LGUMETLTPQNDNC-AWEZNQCLSA-N 2 1 319.424 2.222 20 30 DEEDMP Cc1ccncc1CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000289143969 403849441 /nfs/dbraw/zinc/84/94/41/403849441.db2.gz PROICFSABNEXIS-UHFFFAOYSA-N 2 1 321.428 2.412 20 30 DEEDMP CC1(C)CC(NC(=O)NCC[N@@H+]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000329932280 404498875 /nfs/dbraw/zinc/49/88/75/404498875.db2.gz PJAYAMVXKAXMBN-UHFFFAOYSA-N 2 1 308.470 2.061 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000360956506 404862089 /nfs/dbraw/zinc/86/20/89/404862089.db2.gz LZOJMTVMISDGLT-YESZJQIVSA-N 2 1 322.497 2.237 20 30 DEEDMP C=CCN1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226918 404982432 /nfs/dbraw/zinc/98/24/32/404982432.db2.gz DFQCPNHLSDAQFU-HKUYNNGSSA-N 2 1 323.525 2.363 20 30 DEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000354098769 405044238 /nfs/dbraw/zinc/04/42/38/405044238.db2.gz ZSDUUTGBCPHZGV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC000440624061 405319893 /nfs/dbraw/zinc/31/98/93/405319893.db2.gz MKMRKFQEISNKND-HNNXBMFYSA-N 2 1 317.433 2.157 20 30 DEEDMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC000440624061 405319897 /nfs/dbraw/zinc/31/98/97/405319897.db2.gz MKMRKFQEISNKND-HNNXBMFYSA-N 2 1 317.433 2.157 20 30 DEEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000421362570 405474091 /nfs/dbraw/zinc/47/40/91/405474091.db2.gz JNFZQYFBHQYUFR-MRXNPFEDSA-N 2 1 305.397 2.024 20 30 DEEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000489424613 406404958 /nfs/dbraw/zinc/40/49/58/406404958.db2.gz KJSRYCRTWXDQGQ-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000489424613 406404961 /nfs/dbraw/zinc/40/49/61/406404961.db2.gz KJSRYCRTWXDQGQ-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000570792786 406438279 /nfs/dbraw/zinc/43/82/79/406438279.db2.gz SVDHSUMYIPXMMZ-GOSISDBHSA-N 2 1 312.461 2.254 20 30 DEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)C1 ZINC000262662410 533692928 /nfs/dbraw/zinc/69/29/28/533692928.db2.gz NHSBKZPFRUJBGP-OAHLLOKOSA-N 2 1 300.450 2.310 20 30 DEEDMP N#CCC[C@@H](C#N)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959521 340378784 /nfs/dbraw/zinc/37/87/84/340378784.db2.gz ZDTJJXGXMGTYQL-INIZCTEOSA-N 2 1 304.438 2.007 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357363123 1152293350 /nfs/dbraw/zinc/29/33/50/1152293350.db2.gz WKVDNPTVIQMNKE-MSOLQXFVSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001329935530 1149018639 /nfs/dbraw/zinc/01/86/39/1149018639.db2.gz DLSXYOUOGAZHEU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329935530 1149018646 /nfs/dbraw/zinc/01/86/46/1149018646.db2.gz DLSXYOUOGAZHEU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260240 1149082270 /nfs/dbraw/zinc/08/22/70/1149082270.db2.gz BFUAGPXYESTJAO-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001441001645 1181821243 /nfs/dbraw/zinc/82/12/43/1181821243.db2.gz AUUIRHPONLHCED-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001441001645 1181821248 /nfs/dbraw/zinc/82/12/48/1181821248.db2.gz AUUIRHPONLHCED-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2=[NH+]CCN2C)C1 ZINC000262683703 534174040 /nfs/dbraw/zinc/17/40/40/534174040.db2.gz XMBXIEZFUGTAEG-HNNXBMFYSA-N 2 1 300.450 2.310 20 30 DEEDMP C#C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC000262231524 527195074 /nfs/dbraw/zinc/19/50/74/527195074.db2.gz ABOFHKGELCKRBL-HZPDHXFCSA-N 2 1 318.852 2.403 20 30 DEEDMP CCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264066403 528941836 /nfs/dbraw/zinc/94/18/36/528941836.db2.gz BKYZDLOLCNIYBN-OAHLLOKOSA-N 2 1 304.438 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064986 529101556 /nfs/dbraw/zinc/10/15/56/529101556.db2.gz DVTWFAJZTXSHRE-INIZCTEOSA-N 2 1 300.450 2.107 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267199121 529176239 /nfs/dbraw/zinc/17/62/39/529176239.db2.gz QBWQWMFTUZXYNG-MRXNPFEDSA-N 2 1 306.479 2.413 20 30 DEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001327528610 1148578397 /nfs/dbraw/zinc/57/83/97/1148578397.db2.gz BOVKDVINOIJAPU-HKUYNNGSSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027647286 634377251 /nfs/dbraw/zinc/37/72/51/634377251.db2.gz MUPAAYNIGMNPTN-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290074 625326746 /nfs/dbraw/zinc/32/67/46/625326746.db2.gz XPXXVBUZPYDOCT-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632928 625364411 /nfs/dbraw/zinc/36/44/11/625364411.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632928 625364413 /nfs/dbraw/zinc/36/44/13/625364413.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632928 625364414 /nfs/dbraw/zinc/36/44/14/625364414.db2.gz RXEXBWROXDAGKX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704400 625482912 /nfs/dbraw/zinc/48/29/12/625482912.db2.gz QTNVHDJAKMKTJK-HKUYNNGSSA-N 2 1 315.461 2.182 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648417 622863591 /nfs/dbraw/zinc/86/35/91/622863591.db2.gz JNEGXPMHUMRZTF-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969793398 622924270 /nfs/dbraw/zinc/92/42/70/622924270.db2.gz OHNZWANUHQKTGX-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969832319 622942794 /nfs/dbraw/zinc/94/27/94/622942794.db2.gz GKIPBJXHQLXQDB-WMLDXEAASA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969832838 622942934 /nfs/dbraw/zinc/94/29/34/622942934.db2.gz JWDUBRBUHLMMRX-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603696 623816568 /nfs/dbraw/zinc/81/65/68/623816568.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603696 623816576 /nfs/dbraw/zinc/81/65/76/623816576.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603696 623816584 /nfs/dbraw/zinc/81/65/84/623816584.db2.gz QXIGDQQWPQGINW-RDJZCZTQSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506454 624926887 /nfs/dbraw/zinc/92/68/87/624926887.db2.gz QFUDRPGRWNPUKV-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751016 625035528 /nfs/dbraw/zinc/03/55/28/625035528.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751016 625035537 /nfs/dbraw/zinc/03/55/37/625035537.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751016 625035549 /nfs/dbraw/zinc/03/55/49/625035549.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751016 625035558 /nfs/dbraw/zinc/03/55/58/625035558.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751016 625035567 /nfs/dbraw/zinc/03/55/67/625035567.db2.gz AYVFVSNVHCRSBC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372793 625242318 /nfs/dbraw/zinc/24/23/18/625242318.db2.gz XZQAUFMTXGJOHC-WMZOPIPTSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692536 634446965 /nfs/dbraw/zinc/44/69/65/634446965.db2.gz LLHYUFVTKUEAGF-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501690 625823281 /nfs/dbraw/zinc/82/32/81/625823281.db2.gz HSIQOMBLFIDERX-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000237671 634810590 /nfs/dbraw/zinc/81/05/90/634810590.db2.gz QJMOAILZRWGZJH-INIZCTEOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995791505 633122418 /nfs/dbraw/zinc/12/24/18/633122418.db2.gz HXKQNYHWPRFBRR-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996168685 633206617 /nfs/dbraw/zinc/20/66/17/633206617.db2.gz KQPRXIFCCCUVKC-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)cc1 ZINC000925845843 635929350 /nfs/dbraw/zinc/92/93/50/635929350.db2.gz RMFWVZGCKLLYAX-MRXNPFEDSA-N 2 1 300.450 2.284 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996479073 633265351 /nfs/dbraw/zinc/26/53/51/633265351.db2.gz VMVWATQYMGOXTK-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974779753 633301282 /nfs/dbraw/zinc/30/12/82/633301282.db2.gz YOQWZUNKHOUIFU-OAHLLOKOSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975114854 633429430 /nfs/dbraw/zinc/42/94/30/633429430.db2.gz XHWVNTSJXWYBAR-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975114854 633429433 /nfs/dbraw/zinc/42/94/33/633429433.db2.gz XHWVNTSJXWYBAR-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009049186 633496994 /nfs/dbraw/zinc/49/69/94/633496994.db2.gz HHRUVRCULJGBPE-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411321 633750596 /nfs/dbraw/zinc/75/05/96/633750596.db2.gz OZAFDFLQLLEQLE-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001009633072 633766127 /nfs/dbraw/zinc/76/61/27/633766127.db2.gz GGJUAMLBMDBBPG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009633072 633766132 /nfs/dbraw/zinc/76/61/32/633766132.db2.gz GGJUAMLBMDBBPG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001009633072 633766134 /nfs/dbraw/zinc/76/61/34/633766134.db2.gz GGJUAMLBMDBBPG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027436756 633783858 /nfs/dbraw/zinc/78/38/58/633783858.db2.gz FIIRJNIWDIJUGM-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436756 633783863 /nfs/dbraw/zinc/78/38/63/633783863.db2.gz FIIRJNIWDIJUGM-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436756 633783868 /nfs/dbraw/zinc/78/38/68/633783868.db2.gz FIIRJNIWDIJUGM-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027442131 633796008 /nfs/dbraw/zinc/79/60/08/633796008.db2.gz BCWWTRZOXWJJKU-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027442131 633796010 /nfs/dbraw/zinc/79/60/10/633796010.db2.gz BCWWTRZOXWJJKU-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027442131 633796013 /nfs/dbraw/zinc/79/60/13/633796013.db2.gz BCWWTRZOXWJJKU-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997871830 634015956 /nfs/dbraw/zinc/01/59/56/634015956.db2.gz PLICYHLYWHHSFL-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018604 634115136 /nfs/dbraw/zinc/11/51/36/634115136.db2.gz VUJAZCLTFMSLDC-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998103638 634143019 /nfs/dbraw/zinc/14/30/19/634143019.db2.gz BPYXTSINGVOVAG-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978149510 634226970 /nfs/dbraw/zinc/22/69/70/634226970.db2.gz RLXHZIHSFODCIU-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978149510 634226974 /nfs/dbraw/zinc/22/69/74/634226974.db2.gz RLXHZIHSFODCIU-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483705 635016522 /nfs/dbraw/zinc/01/65/22/635016522.db2.gz SCHPDJIVOHFASC-MRXNPFEDSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963554 635096109 /nfs/dbraw/zinc/09/61/09/635096109.db2.gz AVBIBWTUABZSBV-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839472 635318496 /nfs/dbraw/zinc/31/84/96/635318496.db2.gz FETRNRXWHRRQTL-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839472 635318499 /nfs/dbraw/zinc/31/84/99/635318499.db2.gz FETRNRXWHRRQTL-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839472 635318507 /nfs/dbraw/zinc/31/85/07/635318507.db2.gz FETRNRXWHRRQTL-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839468 635318541 /nfs/dbraw/zinc/31/85/41/635318541.db2.gz FETRNRXWHRRQTL-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839468 635318545 /nfs/dbraw/zinc/31/85/45/635318545.db2.gz FETRNRXWHRRQTL-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839468 635318551 /nfs/dbraw/zinc/31/85/51/635318551.db2.gz FETRNRXWHRRQTL-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105697 635550366 /nfs/dbraw/zinc/55/03/66/635550366.db2.gz YTGNDVOHVNJTRQ-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105697 635550372 /nfs/dbraw/zinc/55/03/72/635550372.db2.gz YTGNDVOHVNJTRQ-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981621556 635561751 /nfs/dbraw/zinc/56/17/51/635561751.db2.gz DWHZDUBFMGXVCC-UHFFFAOYSA-N 2 1 312.417 2.448 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081023 635863757 /nfs/dbraw/zinc/86/37/57/635863757.db2.gz FVWJKADARZQAJG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081023 635863761 /nfs/dbraw/zinc/86/37/61/635863761.db2.gz FVWJKADARZQAJG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081023 635863768 /nfs/dbraw/zinc/86/37/68/635863768.db2.gz FVWJKADARZQAJG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)cc1F ZINC000925844699 635926889 /nfs/dbraw/zinc/92/68/89/635926889.db2.gz LQYXUTQEHBEDJP-HNNXBMFYSA-N 2 1 318.440 2.423 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388923 636142199 /nfs/dbraw/zinc/14/21/99/636142199.db2.gz RWRTYMSWUJRIJD-VQHPVUNQSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552160 636337089 /nfs/dbraw/zinc/33/70/89/636337089.db2.gz IDHAYPIYLPGXMY-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552160 636337093 /nfs/dbraw/zinc/33/70/93/636337093.db2.gz IDHAYPIYLPGXMY-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552160 636337095 /nfs/dbraw/zinc/33/70/95/636337095.db2.gz IDHAYPIYLPGXMY-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004460046 636459224 /nfs/dbraw/zinc/45/92/24/636459224.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004460046 636459226 /nfs/dbraw/zinc/45/92/26/636459226.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004460046 636459230 /nfs/dbraw/zinc/45/92/30/636459230.db2.gz UHGOIEJMNSWNHM-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594447 636463748 /nfs/dbraw/zinc/46/37/48/636463748.db2.gz GZOHPFMJBIBSPH-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594447 636463749 /nfs/dbraw/zinc/46/37/49/636463749.db2.gz GZOHPFMJBIBSPH-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594447 636463750 /nfs/dbraw/zinc/46/37/50/636463750.db2.gz GZOHPFMJBIBSPH-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004595838 636497481 /nfs/dbraw/zinc/49/74/81/636497481.db2.gz JKOZHGLEZSPULO-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595838 636497484 /nfs/dbraw/zinc/49/74/84/636497484.db2.gz JKOZHGLEZSPULO-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004595838 636497486 /nfs/dbraw/zinc/49/74/86/636497486.db2.gz JKOZHGLEZSPULO-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644541 636525209 /nfs/dbraw/zinc/52/52/09/636525209.db2.gz GSUOPYJXUOXNNA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644541 636525212 /nfs/dbraw/zinc/52/52/12/636525212.db2.gz GSUOPYJXUOXNNA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644541 636525216 /nfs/dbraw/zinc/52/52/16/636525216.db2.gz GSUOPYJXUOXNNA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919363 636853490 /nfs/dbraw/zinc/85/34/90/636853490.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919363 636853491 /nfs/dbraw/zinc/85/34/91/636853491.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919363 636853493 /nfs/dbraw/zinc/85/34/93/636853493.db2.gz UOOHWMZEERBNAF-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716718 636885050 /nfs/dbraw/zinc/88/50/50/636885050.db2.gz DPXJYCKBTPGLKJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716718 636885054 /nfs/dbraw/zinc/88/50/54/636885054.db2.gz DPXJYCKBTPGLKJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716718 636885059 /nfs/dbraw/zinc/88/50/59/636885059.db2.gz DPXJYCKBTPGLKJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413221 637166539 /nfs/dbraw/zinc/16/65/39/637166539.db2.gz FAQPFEJXLBBZOY-AEFFLSMTSA-N 2 1 301.434 2.289 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006293292 637331869 /nfs/dbraw/zinc/33/18/69/637331869.db2.gz GAGNVACCQGWMOU-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746660419 638366997 /nfs/dbraw/zinc/36/69/97/638366997.db2.gz VRGMDQCMTCLOHE-LJQANCHMSA-N 2 1 315.461 2.473 20 30 DEEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746660419 638367001 /nfs/dbraw/zinc/36/70/01/638367001.db2.gz VRGMDQCMTCLOHE-LJQANCHMSA-N 2 1 315.461 2.473 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985805286 639645356 /nfs/dbraw/zinc/64/53/56/639645356.db2.gz WAIIHRUCEHEWSA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CCCCCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000761956793 640367266 /nfs/dbraw/zinc/36/72/66/640367266.db2.gz SLYYTGITQDIJTD-UHFFFAOYSA-N 2 1 305.470 2.288 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737402 641215553 /nfs/dbraw/zinc/21/55/53/641215553.db2.gz PBKBFMACXGLEKT-UHFFFAOYSA-N 2 1 301.434 2.082 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738529 641216198 /nfs/dbraw/zinc/21/61/98/641216198.db2.gz DUYQKYBQGDVGFP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000900139691 642269739 /nfs/dbraw/zinc/26/97/39/642269739.db2.gz BSKXFCCDIAMMLD-INIZCTEOSA-N 2 1 315.461 2.057 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000900333568 642323877 /nfs/dbraw/zinc/32/38/77/642323877.db2.gz BXPONDIJYYPRQO-AEFFLSMTSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991071535 644003196 /nfs/dbraw/zinc/00/31/96/644003196.db2.gz ZCBRXWWWTMUXCT-HDMKZQKVSA-N 2 1 314.433 2.060 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991071535 644003197 /nfs/dbraw/zinc/00/31/97/644003197.db2.gz ZCBRXWWWTMUXCT-HDMKZQKVSA-N 2 1 314.433 2.060 20 30 DEEDMP C[NH+](C)Cc1ccc(C(N)=NOCC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000906503927 644275085 /nfs/dbraw/zinc/27/50/85/644275085.db2.gz YAWQDKYREYHGPK-KRWDZBQOSA-N 2 1 318.465 2.260 20 30 DEEDMP CCN(C)c1ccc(C(C)=[NH+]NCCC[NH+]2CCOCC2)cc1 ZINC000799489294 645180048 /nfs/dbraw/zinc/18/00/48/645180048.db2.gz RAMQLMPWUHRKIT-UHFFFAOYSA-N 2 1 318.465 2.179 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000913481363 646365996 /nfs/dbraw/zinc/36/59/96/646365996.db2.gz YWXUMVPPFITJRA-QGZVFWFLSA-N 2 1 315.461 2.400 20 30 DEEDMP COc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+]2CCCCC2)cc1 ZINC000170906130 646674660 /nfs/dbraw/zinc/67/46/60/646674660.db2.gz RMMOAPKHNVHLGK-MRXNPFEDSA-N 2 1 304.438 2.099 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156715 646877524 /nfs/dbraw/zinc/87/75/24/646877524.db2.gz XBIZWEJKSTVAGY-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365830 646959636 /nfs/dbraw/zinc/95/96/36/646959636.db2.gz DIZZPBXPEWZIFQ-PKOBYXMFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000913709613 647013482 /nfs/dbraw/zinc/01/34/82/647013482.db2.gz RNZNZKNCOZXKPT-SFHVURJKSA-N 2 1 315.461 2.193 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994273206 647891741 /nfs/dbraw/zinc/89/17/41/647891741.db2.gz ZDROFMUPQBLGDV-GDBMZVCRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273206 647891744 /nfs/dbraw/zinc/89/17/44/647891744.db2.gz ZDROFMUPQBLGDV-GDBMZVCRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273206 647891750 /nfs/dbraw/zinc/89/17/50/647891750.db2.gz ZDROFMUPQBLGDV-GDBMZVCRSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@@H]2C)CC1 ZINC000994491910 647969994 /nfs/dbraw/zinc/96/99/94/647969994.db2.gz AMQALEATFFVNDS-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940738037 648935598 /nfs/dbraw/zinc/93/55/98/648935598.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738037 648935600 /nfs/dbraw/zinc/93/56/00/648935600.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738037 648935602 /nfs/dbraw/zinc/93/56/02/648935602.db2.gz VFTCBVLAHYKXER-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737356 648935700 /nfs/dbraw/zinc/93/57/00/648935700.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737356 648935702 /nfs/dbraw/zinc/93/57/02/648935702.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737356 648935703 /nfs/dbraw/zinc/93/57/03/648935703.db2.gz NXLDKYLNNDOCRG-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033866 648990367 /nfs/dbraw/zinc/99/03/67/648990367.db2.gz WWPWZGAJXAAOMT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033866 648990368 /nfs/dbraw/zinc/99/03/68/648990368.db2.gz WWPWZGAJXAAOMT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033866 648990370 /nfs/dbraw/zinc/99/03/70/648990370.db2.gz WWPWZGAJXAAOMT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941079030 649000326 /nfs/dbraw/zinc/00/03/26/649000326.db2.gz KWXDSFWQIXUWCD-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948381020 649114683 /nfs/dbraw/zinc/11/46/83/649114683.db2.gz CAGHIJZEMZYENA-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381020 649114687 /nfs/dbraw/zinc/11/46/87/649114687.db2.gz CAGHIJZEMZYENA-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381020 649114689 /nfs/dbraw/zinc/11/46/89/649114689.db2.gz CAGHIJZEMZYENA-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098935 649156891 /nfs/dbraw/zinc/15/68/91/649156891.db2.gz DHGQYFCXVOULQQ-UKRRQHHQSA-N 2 1 321.490 2.436 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3nccn32)[C@H](C)C1 ZINC000942484661 649226885 /nfs/dbraw/zinc/22/68/85/649226885.db2.gz DNPYQKQPVMQURI-CABCVRRESA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518567 649232292 /nfs/dbraw/zinc/23/22/92/649232292.db2.gz TZNTWQCYBZWCPT-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581588 649253873 /nfs/dbraw/zinc/25/38/73/649253873.db2.gz JJBTXDIMMVSYGV-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP CCc1ccc(CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)s1 ZINC000083094086 649657067 /nfs/dbraw/zinc/65/70/67/649657067.db2.gz FGJCGLPHSOVNSB-LBPRGKRZSA-N 2 1 306.479 2.212 20 30 DEEDMP CCc1ccc(CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000083094086 649657069 /nfs/dbraw/zinc/65/70/69/649657069.db2.gz FGJCGLPHSOVNSB-LBPRGKRZSA-N 2 1 306.479 2.212 20 30 DEEDMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372440 651119474 /nfs/dbraw/zinc/11/94/74/651119474.db2.gz YZNUGWYBEGLPML-GOSISDBHSA-N 2 1 301.434 2.399 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372440 651119475 /nfs/dbraw/zinc/11/94/75/651119475.db2.gz YZNUGWYBEGLPML-GOSISDBHSA-N 2 1 301.434 2.399 20 30 DEEDMP C=CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000849026934 651587306 /nfs/dbraw/zinc/58/73/06/651587306.db2.gz NIILVPHYAAHXBB-MRXNPFEDSA-N 2 1 316.449 2.350 20 30 DEEDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852761598 652452388 /nfs/dbraw/zinc/45/23/88/652452388.db2.gz XXHXMZABRQHZCT-SFHVURJKSA-N 2 1 317.433 2.132 20 30 DEEDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852761598 652452392 /nfs/dbraw/zinc/45/23/92/652452392.db2.gz XXHXMZABRQHZCT-SFHVURJKSA-N 2 1 317.433 2.132 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCSCC1 ZINC000304757161 685259723 /nfs/dbraw/zinc/25/97/23/685259723.db2.gz OMFAVGAQHISCFC-INIZCTEOSA-N 2 1 318.490 2.015 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)C1CCCCC1 ZINC000104168571 684058585 /nfs/dbraw/zinc/05/85/85/684058585.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000104168571 684058588 /nfs/dbraw/zinc/05/85/88/684058588.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)C1CCCCC1 ZINC000104168571 684058591 /nfs/dbraw/zinc/05/85/91/684058591.db2.gz PBGLETPRGSQFPM-KRWDZBQOSA-N 3 1 323.529 2.030 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145485 693861584 /nfs/dbraw/zinc/86/15/84/693861584.db2.gz QRLGNRWDMBLVFH-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219079 693887995 /nfs/dbraw/zinc/88/79/95/693887995.db2.gz GLROOMMICXTVMZ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291709 693917195 /nfs/dbraw/zinc/91/71/95/693917195.db2.gz CXHWVTHZDIJBLX-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291709 693917196 /nfs/dbraw/zinc/91/71/96/693917196.db2.gz CXHWVTHZDIJBLX-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291709 693917197 /nfs/dbraw/zinc/91/71/97/693917197.db2.gz CXHWVTHZDIJBLX-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303893923 685238809 /nfs/dbraw/zinc/23/88/09/685238809.db2.gz SFYZGSFPNIJWTJ-HZPDHXFCSA-N 2 1 314.477 2.480 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303893923 685238814 /nfs/dbraw/zinc/23/88/14/685238814.db2.gz SFYZGSFPNIJWTJ-HZPDHXFCSA-N 2 1 314.477 2.480 20 30 DEEDMP CC[C@@H](CNC(=[NH2+])N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000303910058 685239931 /nfs/dbraw/zinc/23/99/31/685239931.db2.gz YOQSNMCBRWJTNA-KRWDZBQOSA-N 2 1 302.466 2.480 20 30 DEEDMP CC[C@@H](CNC(=[NH2+])N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000303910058 685239939 /nfs/dbraw/zinc/23/99/39/685239939.db2.gz YOQSNMCBRWJTNA-KRWDZBQOSA-N 2 1 302.466 2.480 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303981121 685240945 /nfs/dbraw/zinc/24/09/45/685240945.db2.gz OUXSYYXDKPEEBL-OAHLLOKOSA-N 2 1 322.453 2.056 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652742 687674797 /nfs/dbraw/zinc/67/47/97/687674797.db2.gz WILUTYIDUQTKMD-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987648 687750646 /nfs/dbraw/zinc/75/06/46/687750646.db2.gz YFESGQZNOQDYSQ-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001017705365 687942880 /nfs/dbraw/zinc/94/28/80/687942880.db2.gz YVBYPWWFMLAKQU-IYBDPMFKSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052976 688039569 /nfs/dbraw/zinc/03/95/69/688039569.db2.gz UQZBYPQELNLPOK-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052976 688039574 /nfs/dbraw/zinc/03/95/74/688039574.db2.gz UQZBYPQELNLPOK-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052976 688039578 /nfs/dbraw/zinc/03/95/78/688039578.db2.gz UQZBYPQELNLPOK-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052976 688039582 /nfs/dbraw/zinc/03/95/82/688039582.db2.gz UQZBYPQELNLPOK-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020238850 688489275 /nfs/dbraw/zinc/48/92/75/688489275.db2.gz FRBHCKUDNNPLSX-KKUMJFAQSA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001031235621 688871997 /nfs/dbraw/zinc/87/19/97/688871997.db2.gz ZGGIAUSOLHQBBF-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031235621 688872002 /nfs/dbraw/zinc/87/20/02/688872002.db2.gz ZGGIAUSOLHQBBF-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031767277 688993117 /nfs/dbraw/zinc/99/31/17/688993117.db2.gz UXLHXGCAEUUYBW-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032803707 689266003 /nfs/dbraw/zinc/26/60/03/689266003.db2.gz KACYZNMSJVZYBO-OKZBNKHCSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001032803707 689266007 /nfs/dbraw/zinc/26/60/07/689266007.db2.gz KACYZNMSJVZYBO-OKZBNKHCSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144476 689404103 /nfs/dbraw/zinc/40/41/03/689404103.db2.gz XWDQQTJJYYEHHB-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144476 689404105 /nfs/dbraw/zinc/40/41/05/689404105.db2.gz XWDQQTJJYYEHHB-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144476 689404106 /nfs/dbraw/zinc/40/41/06/689404106.db2.gz XWDQQTJJYYEHHB-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273332 689447319 /nfs/dbraw/zinc/44/73/19/689447319.db2.gz UANXXPKIOLDEJL-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504118 689523791 /nfs/dbraw/zinc/52/37/91/689523791.db2.gz CXUDEOXZVHUXOW-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825983 689627870 /nfs/dbraw/zinc/62/78/70/689627870.db2.gz LCIKDDMSHFBBPX-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825983 689627874 /nfs/dbraw/zinc/62/78/74/689627874.db2.gz LCIKDDMSHFBBPX-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825983 689627878 /nfs/dbraw/zinc/62/78/78/689627878.db2.gz LCIKDDMSHFBBPX-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855294 689639369 /nfs/dbraw/zinc/63/93/69/689639369.db2.gz JHMGWUHIDYUBFW-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855294 689639371 /nfs/dbraw/zinc/63/93/71/689639371.db2.gz JHMGWUHIDYUBFW-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855294 689639373 /nfs/dbraw/zinc/63/93/73/689639373.db2.gz JHMGWUHIDYUBFW-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033876677 689647165 /nfs/dbraw/zinc/64/71/65/689647165.db2.gz ACNBURLRABEGGK-QGZVFWFLSA-N 2 1 324.428 2.202 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033941816 689668950 /nfs/dbraw/zinc/66/89/50/689668950.db2.gz SGIZDKXPTCFESC-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211809 689764877 /nfs/dbraw/zinc/76/48/77/689764877.db2.gz OPVJFGCBMRJEDM-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426577 689845998 /nfs/dbraw/zinc/84/59/98/689845998.db2.gz MMTNDDMGJOORHG-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426577 689846004 /nfs/dbraw/zinc/84/60/04/689846004.db2.gz MMTNDDMGJOORHG-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437051 689850611 /nfs/dbraw/zinc/85/06/11/689850611.db2.gz CZQCMXRSUMIMEP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437051 689850614 /nfs/dbraw/zinc/85/06/14/689850614.db2.gz CZQCMXRSUMIMEP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034437051 689850618 /nfs/dbraw/zinc/85/06/18/689850618.db2.gz CZQCMXRSUMIMEP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763171 689929144 /nfs/dbraw/zinc/92/91/44/689929144.db2.gz IOMISWWRTXLYKX-UKRRQHHQSA-N 2 1 309.841 2.093 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778344 689946015 /nfs/dbraw/zinc/94/60/15/689946015.db2.gz HYXJNIZWWJQVSU-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223584 690064556 /nfs/dbraw/zinc/06/45/56/690064556.db2.gz RYABXSDWJLNLOK-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227770 690066993 /nfs/dbraw/zinc/06/69/93/690066993.db2.gz XXHCJSXZBGXLSM-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035227770 690066994 /nfs/dbraw/zinc/06/69/94/690066994.db2.gz XXHCJSXZBGXLSM-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035247271 690072624 /nfs/dbraw/zinc/07/26/24/690072624.db2.gz VNUCAHGOPYHMOX-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247271 690072629 /nfs/dbraw/zinc/07/26/29/690072629.db2.gz VNUCAHGOPYHMOX-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247271 690072634 /nfs/dbraw/zinc/07/26/34/690072634.db2.gz VNUCAHGOPYHMOX-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C[NH+]1C[C@]2(C)C[NH+](CCCC3(C#N)CCOCC3)C[C@@]2(C)C1 ZINC000931314204 694364773 /nfs/dbraw/zinc/36/47/73/694364773.db2.gz KCPRRPOJRRZREG-IAGOWNOFSA-N 2 1 305.466 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716532 690443591 /nfs/dbraw/zinc/44/35/91/690443591.db2.gz HLEIMENLWLUHAZ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736274 690452233 /nfs/dbraw/zinc/45/22/33/690452233.db2.gz XNJMRPISLXHTQG-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759881 690462777 /nfs/dbraw/zinc/46/27/77/690462777.db2.gz RWYNTHGSHVLCTQ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038907669 690963060 /nfs/dbraw/zinc/96/30/60/690963060.db2.gz CZOHFDRDPBZXGQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038907669 690963062 /nfs/dbraw/zinc/96/30/62/690963062.db2.gz CZOHFDRDPBZXGQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038907669 690963065 /nfs/dbraw/zinc/96/30/65/690963065.db2.gz CZOHFDRDPBZXGQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038907669 690963067 /nfs/dbraw/zinc/96/30/67/690963067.db2.gz CZOHFDRDPBZXGQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038907665 690963676 /nfs/dbraw/zinc/96/36/76/690963676.db2.gz CZOHFDRDPBZXGQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038907665 690963677 /nfs/dbraw/zinc/96/36/77/690963677.db2.gz CZOHFDRDPBZXGQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038907665 690963681 /nfs/dbraw/zinc/96/36/81/690963681.db2.gz CZOHFDRDPBZXGQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038907665 690963684 /nfs/dbraw/zinc/96/36/84/690963684.db2.gz CZOHFDRDPBZXGQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140456 691031600 /nfs/dbraw/zinc/03/16/00/691031600.db2.gz VGTYGOBBBRZVAZ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140456 691031602 /nfs/dbraw/zinc/03/16/02/691031602.db2.gz VGTYGOBBBRZVAZ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140456 691031604 /nfs/dbraw/zinc/03/16/04/691031604.db2.gz VGTYGOBBBRZVAZ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173208 691039318 /nfs/dbraw/zinc/03/93/18/691039318.db2.gz QFAFLNGYAJLQOL-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173208 691039320 /nfs/dbraw/zinc/03/93/20/691039320.db2.gz QFAFLNGYAJLQOL-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173208 691039324 /nfs/dbraw/zinc/03/93/24/691039324.db2.gz QFAFLNGYAJLQOL-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039437574 691105548 /nfs/dbraw/zinc/10/55/48/691105548.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437574 691105553 /nfs/dbraw/zinc/10/55/53/691105553.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437574 691105555 /nfs/dbraw/zinc/10/55/55/691105555.db2.gz OTDHBDJIRABHFL-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261325 691222180 /nfs/dbraw/zinc/22/21/80/691222180.db2.gz MLUBHCCNODACKX-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367769 691236741 /nfs/dbraw/zinc/23/67/41/691236741.db2.gz BCTLSSCPUFNNOZ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848975 691292972 /nfs/dbraw/zinc/29/29/72/691292972.db2.gz MZPGJRQGVUNUQM-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536136 691389444 /nfs/dbraw/zinc/38/94/44/691389444.db2.gz MOMOKHFZKWKEME-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644464 691405029 /nfs/dbraw/zinc/40/50/29/691405029.db2.gz CVDLGYCPAVOTEI-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000883131258 691436024 /nfs/dbraw/zinc/43/60/24/691436024.db2.gz RYNIEOLONWSDNM-UHFFFAOYSA-N 2 1 314.408 2.365 20 30 DEEDMP C=CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883186101 691452338 /nfs/dbraw/zinc/45/23/38/691452338.db2.gz LJMNOKUKGGOHLA-OALUTQOASA-N 2 1 323.525 2.363 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045536189 691994607 /nfs/dbraw/zinc/99/46/07/691994607.db2.gz KMAJMNMRPLTLAI-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921231 692051414 /nfs/dbraw/zinc/05/14/14/692051414.db2.gz IEXQIARUIYAKFY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921231 692051415 /nfs/dbraw/zinc/05/14/15/692051415.db2.gz IEXQIARUIYAKFY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921231 692051418 /nfs/dbraw/zinc/05/14/18/692051418.db2.gz IEXQIARUIYAKFY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964912 692063602 /nfs/dbraw/zinc/06/36/02/692063602.db2.gz AATIADUROXHAKG-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964912 692063604 /nfs/dbraw/zinc/06/36/04/692063604.db2.gz AATIADUROXHAKG-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967512 692064512 /nfs/dbraw/zinc/06/45/12/692064512.db2.gz WNXIEECKCFQVDA-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436188 692186442 /nfs/dbraw/zinc/18/64/42/692186442.db2.gz NELKSEPXMBPVDP-GOSISDBHSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485661 692201995 /nfs/dbraw/zinc/20/19/95/692201995.db2.gz CKITUOUYBDQTSB-GOSISDBHSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523438 692910971 /nfs/dbraw/zinc/91/09/71/692910971.db2.gz XWGNMEZTGBXWRW-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523438 692910972 /nfs/dbraw/zinc/91/09/72/692910972.db2.gz XWGNMEZTGBXWRW-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523438 692910973 /nfs/dbraw/zinc/91/09/73/692910973.db2.gz XWGNMEZTGBXWRW-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549764 692918673 /nfs/dbraw/zinc/91/86/73/692918673.db2.gz ISXYBHLZRXFOFG-BRWVUGGUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568762 692924123 /nfs/dbraw/zinc/92/41/23/692924123.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568762 692924127 /nfs/dbraw/zinc/92/41/27/692924127.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568762 692924133 /nfs/dbraw/zinc/92/41/33/692924133.db2.gz WERSTRCQAFESDE-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592765 692934892 /nfs/dbraw/zinc/93/48/92/692934892.db2.gz JRUMNLUIYBBCOG-IRXDYDNUSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049642286 692950165 /nfs/dbraw/zinc/95/01/65/692950165.db2.gz UYKWBFRVRSPXIE-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049642286 692950167 /nfs/dbraw/zinc/95/01/67/692950167.db2.gz UYKWBFRVRSPXIE-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049642286 692950174 /nfs/dbraw/zinc/95/01/74/692950174.db2.gz UYKWBFRVRSPXIE-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713550 692972961 /nfs/dbraw/zinc/97/29/61/692972961.db2.gz ZGXFRJNHUXBAJC-BRWVUGGUSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819752 693011435 /nfs/dbraw/zinc/01/14/35/693011435.db2.gz HUNDVRRMSWSNPV-ZWKOTPCHSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050765647 693247058 /nfs/dbraw/zinc/24/70/58/693247058.db2.gz UWOVAUFBCMJZCH-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C2 ZINC000926878157 693523424 /nfs/dbraw/zinc/52/34/24/693523424.db2.gz FDJHCPBGYOQAAD-JLOCXQCDSA-N 2 1 307.482 2.384 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001052419598 693529774 /nfs/dbraw/zinc/52/97/74/693529774.db2.gz QIJBSSMSJCTQBF-HNNXBMFYSA-N 2 1 319.474 2.027 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446937 693537586 /nfs/dbraw/zinc/53/75/86/693537586.db2.gz UCOXSEMWXQWNAV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446937 693537591 /nfs/dbraw/zinc/53/75/91/693537591.db2.gz UCOXSEMWXQWNAV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446937 693537596 /nfs/dbraw/zinc/53/75/96/693537596.db2.gz UCOXSEMWXQWNAV-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756376 693612475 /nfs/dbraw/zinc/61/24/75/693612475.db2.gz GJCYUCGJZRZHDU-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756376 693612478 /nfs/dbraw/zinc/61/24/78/693612478.db2.gz GJCYUCGJZRZHDU-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764690 693615031 /nfs/dbraw/zinc/61/50/31/693615031.db2.gz QRUYOFNGLMNEJV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764690 693615034 /nfs/dbraw/zinc/61/50/34/693615034.db2.gz QRUYOFNGLMNEJV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764690 693615036 /nfs/dbraw/zinc/61/50/36/693615036.db2.gz QRUYOFNGLMNEJV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001402384619 1162339656 /nfs/dbraw/zinc/33/96/56/1162339656.db2.gz UPHUULNUAFHRCB-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C[N@H+]1CCCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017608 1150591994 /nfs/dbraw/zinc/59/19/94/1150591994.db2.gz ISXDSMJXOGOCPQ-MRXNPFEDSA-N 2 1 314.433 2.208 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001357366673 1152293991 /nfs/dbraw/zinc/29/39/91/1152293991.db2.gz HXOANBBWJOMFJD-UKRRQHHQSA-N 2 1 321.490 2.295 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001357366673 1152293994 /nfs/dbraw/zinc/29/39/94/1152293994.db2.gz HXOANBBWJOMFJD-UKRRQHHQSA-N 2 1 321.490 2.295 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001382564318 1153471897 /nfs/dbraw/zinc/47/18/97/1153471897.db2.gz LOIVRKASEAIGST-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001392009175 1156848343 /nfs/dbraw/zinc/84/83/43/1156848343.db2.gz TVGQEVLFVQVJSY-ZIAGYGMSSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001393737539 1157942385 /nfs/dbraw/zinc/94/23/85/1157942385.db2.gz RLOYLNVRNZTJOP-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001393788901 1157982598 /nfs/dbraw/zinc/98/25/98/1157982598.db2.gz QDTLPYVAVDXGFE-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001393788901 1157982606 /nfs/dbraw/zinc/98/26/06/1157982606.db2.gz QDTLPYVAVDXGFE-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001393788901 1157982614 /nfs/dbraw/zinc/98/26/14/1157982614.db2.gz QDTLPYVAVDXGFE-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001393788901 1157982626 /nfs/dbraw/zinc/98/26/26/1157982626.db2.gz QDTLPYVAVDXGFE-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001375578419 1158819064 /nfs/dbraw/zinc/81/90/64/1158819064.db2.gz XMIYNWFSDPXHPK-GASCZTMLSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001377760221 1160809599 /nfs/dbraw/zinc/80/95/99/1160809599.db2.gz NAFFYIDJTMEOPO-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001377760221 1160809601 /nfs/dbraw/zinc/80/96/01/1160809601.db2.gz NAFFYIDJTMEOPO-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001377760221 1160809603 /nfs/dbraw/zinc/80/96/03/1160809603.db2.gz NAFFYIDJTMEOPO-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001419236765 1168336086 /nfs/dbraw/zinc/33/60/86/1168336086.db2.gz BUXFDMBOXKANJO-ZDUSSCGKSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001425189755 1174221246 /nfs/dbraw/zinc/22/12/46/1174221246.db2.gz DLNXNERPNOEBRQ-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001425189755 1174221252 /nfs/dbraw/zinc/22/12/52/1174221252.db2.gz DLNXNERPNOEBRQ-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001436473479 1179128945 /nfs/dbraw/zinc/12/89/45/1179128945.db2.gz DOBMRYDEUSWBFV-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001332149095 1149825853 /nfs/dbraw/zinc/82/58/53/1149825853.db2.gz SWKJAEDNUGUHIR-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106119674 782287963 /nfs/dbraw/zinc/28/79/63/782287963.db2.gz FHLIFYCRSSMRPN-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149814 782438427 /nfs/dbraw/zinc/43/84/27/782438427.db2.gz TXDDGBVLEQPAIA-OWCLPIDISA-N 2 1 318.465 2.267 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332900811 1149920336 /nfs/dbraw/zinc/92/03/36/1149920336.db2.gz WXMZGAXHFHDNFQ-DLBZAZTESA-N 2 1 315.461 2.043 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106339459 782662182 /nfs/dbraw/zinc/66/21/82/782662182.db2.gz NABJPAQCGFUYIW-TZMCWYRMSA-N 2 1 315.889 2.153 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)[C@H](C)C1 ZINC001333360108 1150039248 /nfs/dbraw/zinc/03/92/48/1150039248.db2.gz IKBKGLLQSLOZDS-QAPCUYQASA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)[C@H](C)C1 ZINC001333360108 1150039255 /nfs/dbraw/zinc/03/92/55/1150039255.db2.gz IKBKGLLQSLOZDS-QAPCUYQASA-N 2 1 316.449 2.180 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497887 783154136 /nfs/dbraw/zinc/15/41/36/783154136.db2.gz MXZBWZBTSQPVKM-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125968 790471954 /nfs/dbraw/zinc/47/19/54/790471954.db2.gz QTLUXXRHDUNMEK-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232700 776786579 /nfs/dbraw/zinc/78/65/79/776786579.db2.gz MWSGCXPMZBXQAB-MRXNPFEDSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240246 776792013 /nfs/dbraw/zinc/79/20/13/776792013.db2.gz GLLSBPVCQLWITD-UHFFFAOYSA-N 2 1 309.498 2.417 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)CC)CCCCC1 ZINC001115601631 777310426 /nfs/dbraw/zinc/31/04/26/777310426.db2.gz KWDQOLMFHCGKAY-UHFFFAOYSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167591201 777363082 /nfs/dbraw/zinc/36/30/82/777363082.db2.gz ABZHXMGKEAADDN-UHFFFAOYSA-N 2 1 306.454 2.459 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908772 778245060 /nfs/dbraw/zinc/24/50/60/778245060.db2.gz KHBNEMSLFWTQPY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460707 790669110 /nfs/dbraw/zinc/66/91/10/790669110.db2.gz KKWQRIYHBFIQSZ-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573807 779357886 /nfs/dbraw/zinc/35/78/86/779357886.db2.gz FWCXHBWZENEZAT-OKZBNKHCSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634719 779387051 /nfs/dbraw/zinc/38/70/51/779387051.db2.gz PXAUKOPXFUZQMU-ZWKOTPCHSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671955 779405507 /nfs/dbraw/zinc/40/55/07/779405507.db2.gz XBOWXIONXVCYKZ-RCCFBDPRSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671710 779406228 /nfs/dbraw/zinc/40/62/28/779406228.db2.gz MCEWYEZNTHJEFH-BBWFWOEESA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000985501079 779875205 /nfs/dbraw/zinc/87/52/05/779875205.db2.gz IHOHVSYBJMIMRO-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000985501079 779875211 /nfs/dbraw/zinc/87/52/11/779875211.db2.gz IHOHVSYBJMIMRO-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000985501079 779875216 /nfs/dbraw/zinc/87/52/16/779875216.db2.gz IHOHVSYBJMIMRO-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367149 780028862 /nfs/dbraw/zinc/02/88/62/780028862.db2.gz CNUYTDSVDBEVIN-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427031 780203665 /nfs/dbraw/zinc/20/36/65/780203665.db2.gz SDMPQNXLRDACMP-JKSUJKDBSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605088 780575401 /nfs/dbraw/zinc/57/54/01/780575401.db2.gz GNUYVBUGAISIQD-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605088 780575411 /nfs/dbraw/zinc/57/54/11/780575411.db2.gz GNUYVBUGAISIQD-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605088 780575418 /nfs/dbraw/zinc/57/54/18/780575418.db2.gz GNUYVBUGAISIQD-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770327 780970126 /nfs/dbraw/zinc/97/01/26/780970126.db2.gz IZVRIWDDVCVRKY-BPQIPLTHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076323776 781216443 /nfs/dbraw/zinc/21/64/43/781216443.db2.gz GNOVMOFONPAEAE-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3C(C)C)[C@@H]2C1 ZINC001076323586 781216986 /nfs/dbraw/zinc/21/69/86/781216986.db2.gz YPNOBDMUVXZBCC-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076323586 781216992 /nfs/dbraw/zinc/21/69/92/781216992.db2.gz YPNOBDMUVXZBCC-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365731 781235443 /nfs/dbraw/zinc/23/54/43/781235443.db2.gz LFJYIOISJNEZQX-ZWKOTPCHSA-N 2 1 313.445 2.081 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423656 783460497 /nfs/dbraw/zinc/46/04/97/783460497.db2.gz BOKAHLZEAPPFRY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423656 783460502 /nfs/dbraw/zinc/46/05/02/783460502.db2.gz BOKAHLZEAPPFRY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423656 783460513 /nfs/dbraw/zinc/46/05/13/783460513.db2.gz BOKAHLZEAPPFRY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423655 783460572 /nfs/dbraw/zinc/46/05/72/783460572.db2.gz BOKAHLZEAPPFRY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423655 783460580 /nfs/dbraw/zinc/46/05/80/783460580.db2.gz BOKAHLZEAPPFRY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423655 783460604 /nfs/dbraw/zinc/46/06/04/783460604.db2.gz BOKAHLZEAPPFRY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948426449 783462680 /nfs/dbraw/zinc/46/26/80/783462680.db2.gz YERTXDKURFBRKS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948426449 783462686 /nfs/dbraw/zinc/46/26/86/783462686.db2.gz YERTXDKURFBRKS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948426449 783462695 /nfs/dbraw/zinc/46/26/95/783462695.db2.gz YERTXDKURFBRKS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904969 783811550 /nfs/dbraw/zinc/81/15/50/783811550.db2.gz WELFRONIBHKHHV-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085593384 783859886 /nfs/dbraw/zinc/85/98/86/783859886.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593384 783859895 /nfs/dbraw/zinc/85/98/95/783859895.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593384 783859904 /nfs/dbraw/zinc/85/99/04/783859904.db2.gz IKWNVQZULFXLIG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085593385 783860276 /nfs/dbraw/zinc/86/02/76/783860276.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593385 783860283 /nfs/dbraw/zinc/86/02/83/783860283.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001085593385 783860292 /nfs/dbraw/zinc/86/02/92/783860292.db2.gz IKWNVQZULFXLIG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598236 783872376 /nfs/dbraw/zinc/87/23/76/783872376.db2.gz PLCRFYBBHRLKKE-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598236 783872384 /nfs/dbraw/zinc/87/23/84/783872384.db2.gz PLCRFYBBHRLKKE-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598236 783872395 /nfs/dbraw/zinc/87/23/95/783872395.db2.gz PLCRFYBBHRLKKE-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598236 783872400 /nfs/dbraw/zinc/87/24/00/783872400.db2.gz PLCRFYBBHRLKKE-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629050 783904358 /nfs/dbraw/zinc/90/43/58/783904358.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629050 783904368 /nfs/dbraw/zinc/90/43/68/783904368.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629050 783904370 /nfs/dbraw/zinc/90/43/70/783904370.db2.gz KRVKCCNSHSYSKC-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686660 783965772 /nfs/dbraw/zinc/96/57/72/783965772.db2.gz YZFRBPQZJOELQJ-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129327833 784508394 /nfs/dbraw/zinc/50/83/94/784508394.db2.gz JUVZKEPKTSGGQU-KRWDZBQOSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250940 784523753 /nfs/dbraw/zinc/52/37/53/784523753.db2.gz UBLUNQMGSMGFON-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968677120 784535152 /nfs/dbraw/zinc/53/51/52/784535152.db2.gz WFZJVMXSLWDKHR-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927875 784617288 /nfs/dbraw/zinc/61/72/88/784617288.db2.gz YQIJAMZGOQHDRQ-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927875 784617291 /nfs/dbraw/zinc/61/72/91/784617291.db2.gz YQIJAMZGOQHDRQ-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001008582891 785246481 /nfs/dbraw/zinc/24/64/81/785246481.db2.gz OLFBYXOOGXGTAE-BZUAXINKSA-N 2 1 316.449 2.070 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751165 785295154 /nfs/dbraw/zinc/29/51/54/785295154.db2.gz ZARATFKEWRJPLH-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649976 785973790 /nfs/dbraw/zinc/97/37/90/785973790.db2.gz MKOSLTROAPCIJC-YVSFHVDLSA-N 2 1 319.493 2.404 20 30 DEEDMP N#Cc1ccc(-c2cccs2)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157099614 786161263 /nfs/dbraw/zinc/16/12/63/786161263.db2.gz RBLPNJZDYIPIOA-UHFFFAOYSA-N 2 1 314.418 2.357 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961912 786329840 /nfs/dbraw/zinc/32/98/40/786329840.db2.gz VTHZDBMFGRYVCE-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430823 786584140 /nfs/dbraw/zinc/58/41/40/786584140.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430823 786584148 /nfs/dbraw/zinc/58/41/48/786584148.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430823 786584153 /nfs/dbraw/zinc/58/41/53/786584153.db2.gz HHTJCLNQHXQKMR-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597478 787130413 /nfs/dbraw/zinc/13/04/13/787130413.db2.gz SDOWFUUFVOXOTR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597478 787130416 /nfs/dbraw/zinc/13/04/16/787130416.db2.gz SDOWFUUFVOXOTR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597478 787130419 /nfs/dbraw/zinc/13/04/19/787130419.db2.gz SDOWFUUFVOXOTR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597938 787131087 /nfs/dbraw/zinc/13/10/87/787131087.db2.gz CPGSHGUILFNFLD-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015597938 787131096 /nfs/dbraw/zinc/13/10/96/787131096.db2.gz CPGSHGUILFNFLD-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015597938 787131098 /nfs/dbraw/zinc/13/10/98/787131098.db2.gz CPGSHGUILFNFLD-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114303683 787206544 /nfs/dbraw/zinc/20/65/44/787206544.db2.gz CFRYHHHRKOKGPO-DZVNLGKHSA-N 2 1 321.509 2.343 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114303683 787206547 /nfs/dbraw/zinc/20/65/47/787206547.db2.gz CFRYHHHRKOKGPO-DZVNLGKHSA-N 2 1 321.509 2.343 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114303683 787206552 /nfs/dbraw/zinc/20/65/52/787206552.db2.gz CFRYHHHRKOKGPO-DZVNLGKHSA-N 2 1 321.509 2.343 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129430732 787214079 /nfs/dbraw/zinc/21/40/79/787214079.db2.gz WTDISUIRLVAYDQ-OAHLLOKOSA-N 2 1 306.454 2.437 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580045 788139319 /nfs/dbraw/zinc/13/93/19/788139319.db2.gz PMLBSDZOLAKHEQ-ZJPYXAASSA-N 2 1 317.477 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975728 788305215 /nfs/dbraw/zinc/30/52/15/788305215.db2.gz AVRSXOQOQDWTGL-KURKYZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133275103 788346671 /nfs/dbraw/zinc/34/66/71/788346671.db2.gz PGONJTJEIMGIOT-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020426 789168049 /nfs/dbraw/zinc/16/80/49/789168049.db2.gz GXRMLWPUDNNQIM-LSDHHAIUSA-N 2 1 318.465 2.211 20 30 DEEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077220 789189833 /nfs/dbraw/zinc/18/98/33/789189833.db2.gz MOBHMHMNEUYDNH-CVEARBPZSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861745 789543835 /nfs/dbraw/zinc/54/38/35/789543835.db2.gz HGICNDZYZRZANC-RBSFLKMASA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071866017 789949864 /nfs/dbraw/zinc/94/98/64/789949864.db2.gz PTJOUFUWXNKGPS-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071866017 789949869 /nfs/dbraw/zinc/94/98/69/789949869.db2.gz PTJOUFUWXNKGPS-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000398020070 790239963 /nfs/dbraw/zinc/23/99/63/790239963.db2.gz JMVCGXWZRRMYHW-SJLPKXTDSA-N 2 1 301.434 2.417 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000398020070 790239967 /nfs/dbraw/zinc/23/99/67/790239967.db2.gz JMVCGXWZRRMYHW-SJLPKXTDSA-N 2 1 301.434 2.417 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072798953 790250054 /nfs/dbraw/zinc/25/00/54/790250054.db2.gz CHXSFODGYTYKIS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072798953 790250057 /nfs/dbraw/zinc/25/00/57/790250057.db2.gz CHXSFODGYTYKIS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072798953 790250061 /nfs/dbraw/zinc/25/00/61/790250061.db2.gz CHXSFODGYTYKIS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706222 791344839 /nfs/dbraw/zinc/34/48/39/791344839.db2.gz BNXNABLZNJIVMJ-IAGOWNOFSA-N 2 1 315.461 2.015 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706222 791344846 /nfs/dbraw/zinc/34/48/46/791344846.db2.gz BNXNABLZNJIVMJ-IAGOWNOFSA-N 2 1 315.461 2.015 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001098462703 791634519 /nfs/dbraw/zinc/63/45/19/791634519.db2.gz JBGYTIGUSIIYII-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098462703 791634522 /nfs/dbraw/zinc/63/45/22/791634522.db2.gz JBGYTIGUSIIYII-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098462703 791634525 /nfs/dbraw/zinc/63/45/25/791634525.db2.gz JBGYTIGUSIIYII-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458085 791749832 /nfs/dbraw/zinc/74/98/32/791749832.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458085 791749837 /nfs/dbraw/zinc/74/98/37/791749837.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458085 791749842 /nfs/dbraw/zinc/74/98/42/791749842.db2.gz IETJVZJACPKRON-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130768 792107468 /nfs/dbraw/zinc/10/74/68/792107468.db2.gz RGPMBBPZCCXISL-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130768 792107470 /nfs/dbraw/zinc/10/74/70/792107470.db2.gz RGPMBBPZCCXISL-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130768 792107474 /nfs/dbraw/zinc/10/74/74/792107474.db2.gz RGPMBBPZCCXISL-INIZCTEOSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544849 792236622 /nfs/dbraw/zinc/23/66/22/792236622.db2.gz WMXJZJBSOZAIMJ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544849 792236632 /nfs/dbraw/zinc/23/66/32/792236632.db2.gz WMXJZJBSOZAIMJ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544849 792236642 /nfs/dbraw/zinc/23/66/42/792236642.db2.gz WMXJZJBSOZAIMJ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680867 792785447 /nfs/dbraw/zinc/78/54/47/792785447.db2.gz JBIMFNJOZXXEEW-UHFFFAOYSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720368 792810579 /nfs/dbraw/zinc/81/05/79/792810579.db2.gz PQLJRZSWNPNHTP-UHFFFAOYSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351978 793132265 /nfs/dbraw/zinc/13/22/65/793132265.db2.gz QUCPIPNTIKIVMM-NUJGCVRESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436750 793159140 /nfs/dbraw/zinc/15/91/40/793159140.db2.gz IKNCGPGVKJASNB-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597388 793260106 /nfs/dbraw/zinc/26/01/06/793260106.db2.gz IWYCKIQVUUPGQU-UHFFFAOYSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985061 793469568 /nfs/dbraw/zinc/46/95/68/793469568.db2.gz YKKICVWSQXGYJY-OWCLPIDISA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985061 793469569 /nfs/dbraw/zinc/46/95/69/793469569.db2.gz YKKICVWSQXGYJY-OWCLPIDISA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496041 793634669 /nfs/dbraw/zinc/63/46/69/793634669.db2.gz AFHTWYBIHXKQEE-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496041 793634673 /nfs/dbraw/zinc/63/46/73/793634673.db2.gz AFHTWYBIHXKQEE-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496041 793634677 /nfs/dbraw/zinc/63/46/77/793634677.db2.gz AFHTWYBIHXKQEE-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436101 794093066 /nfs/dbraw/zinc/09/30/66/794093066.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436101 794093074 /nfs/dbraw/zinc/09/30/74/794093074.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436101 794093082 /nfs/dbraw/zinc/09/30/82/794093082.db2.gz KKHPRLGEXUHMLY-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927647 794102671 /nfs/dbraw/zinc/10/26/71/794102671.db2.gz FWZHOUURPSHBBE-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001103541910 794138898 /nfs/dbraw/zinc/13/88/98/794138898.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103541910 794138905 /nfs/dbraw/zinc/13/89/05/794138905.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103541910 794138913 /nfs/dbraw/zinc/13/89/13/794138913.db2.gz AMGRWKYHQMNLKM-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175262145 794171991 /nfs/dbraw/zinc/17/19/91/794171991.db2.gz BYZZJUJODDGFEB-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704262 794278341 /nfs/dbraw/zinc/27/83/41/794278341.db2.gz UFGNABLKBKSIES-INIZCTEOSA-N 2 1 318.465 2.260 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215153 794429619 /nfs/dbraw/zinc/42/96/19/794429619.db2.gz PGZNXSSIBOVJKL-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285337 794587535 /nfs/dbraw/zinc/58/75/35/794587535.db2.gz TYVNTMZTMCVVIP-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC)CC1CCCC1 ZINC001177341890 794643731 /nfs/dbraw/zinc/64/37/31/794643731.db2.gz FAXCCXDLOZLUIH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC[NH2+]CC)CC1CCCC1 ZINC001177341890 794643736 /nfs/dbraw/zinc/64/37/36/794643736.db2.gz FAXCCXDLOZLUIH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177348449 794652103 /nfs/dbraw/zinc/65/21/03/794652103.db2.gz IDHIZIUIBKGUGF-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688804 794974878 /nfs/dbraw/zinc/97/48/78/794974878.db2.gz OGEWOUUWUCABNJ-QGZVFWFLSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688738 794975553 /nfs/dbraw/zinc/97/55/53/794975553.db2.gz IFMLLYYXYXWSHP-YESZJQIVSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693187 794976968 /nfs/dbraw/zinc/97/69/68/794976968.db2.gz KIRGGXQZZPOUPD-KRWDZBQOSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925443 795022123 /nfs/dbraw/zinc/02/21/23/795022123.db2.gz HYVPKFQWGZAOBB-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792491 795177820 /nfs/dbraw/zinc/17/78/20/795177820.db2.gz PIFRAWQYUORLEI-QZTJIDSGSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCCn1cc(CN2CCC[C@@H](Cc3[nH+]ccn3C)C2)nn1 ZINC001118630127 795208018 /nfs/dbraw/zinc/20/80/18/795208018.db2.gz YMFSDNYDJLBGRC-HNNXBMFYSA-N 2 1 314.437 2.042 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440900 795460778 /nfs/dbraw/zinc/46/07/78/795460778.db2.gz UXJMUOQBGQOBES-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448623 795461940 /nfs/dbraw/zinc/46/19/40/795461940.db2.gz CPKIEXSNRITHNF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120448883 795462298 /nfs/dbraw/zinc/46/22/98/795462298.db2.gz HYPPAFYAWXUTCH-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120834753 795540091 /nfs/dbraw/zinc/54/00/91/795540091.db2.gz OCXHEXVMDJAGAO-NYXDSXFPSA-N 2 1 319.493 2.452 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182630499 795715118 /nfs/dbraw/zinc/71/51/18/795715118.db2.gz YAIYMWSDEASSOZ-YQVWRLOYSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254793 795838488 /nfs/dbraw/zinc/83/84/88/795838488.db2.gz GBPUVUINDYWKJH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168807 796201344 /nfs/dbraw/zinc/20/13/44/796201344.db2.gz JEVXOCVXOJQMAS-SJORKVTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185535429 796286375 /nfs/dbraw/zinc/28/63/75/796286375.db2.gz DRTQTNIOZHVDFZ-DZGCQCFKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872481 796293619 /nfs/dbraw/zinc/29/36/19/796293619.db2.gz GPUVIZBYMPJUNV-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161206704 796477573 /nfs/dbraw/zinc/47/75/73/796477573.db2.gz LAQSYERBJWXBKH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206704 796477578 /nfs/dbraw/zinc/47/75/78/796477578.db2.gz LAQSYERBJWXBKH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206704 796477582 /nfs/dbraw/zinc/47/75/82/796477582.db2.gz LAQSYERBJWXBKH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361674 796667209 /nfs/dbraw/zinc/66/72/09/796667209.db2.gz PHVHAJFCDNNPCZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188361674 796667211 /nfs/dbraw/zinc/66/72/11/796667211.db2.gz PHVHAJFCDNNPCZ-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389235 796816395 /nfs/dbraw/zinc/81/63/95/796816395.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389235 796816398 /nfs/dbraw/zinc/81/63/98/796816398.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389235 796816404 /nfs/dbraw/zinc/81/64/04/796816404.db2.gz IWYUDRCEBVSOAA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149021 796939033 /nfs/dbraw/zinc/93/90/33/796939033.db2.gz OKKZJMXTZLQTSU-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149021 796939037 /nfs/dbraw/zinc/93/90/37/796939037.db2.gz OKKZJMXTZLQTSU-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149021 796939040 /nfs/dbraw/zinc/93/90/40/796939040.db2.gz OKKZJMXTZLQTSU-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561781 797227798 /nfs/dbraw/zinc/22/77/98/797227798.db2.gz UEGZFLGRGKBMFX-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967895 797300905 /nfs/dbraw/zinc/30/09/05/797300905.db2.gz NGFAQFMKPWKHMP-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967895 797300910 /nfs/dbraw/zinc/30/09/10/797300910.db2.gz NGFAQFMKPWKHMP-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967895 797300916 /nfs/dbraw/zinc/30/09/16/797300916.db2.gz NGFAQFMKPWKHMP-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818819 797403593 /nfs/dbraw/zinc/40/35/93/797403593.db2.gz BSVUHBFJKYKZQX-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818819 797403596 /nfs/dbraw/zinc/40/35/96/797403596.db2.gz BSVUHBFJKYKZQX-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818819 797403600 /nfs/dbraw/zinc/40/36/00/797403600.db2.gz BSVUHBFJKYKZQX-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228216 797696422 /nfs/dbraw/zinc/69/64/22/797696422.db2.gz PSKJHTPSLHXUNS-OAHLLOKOSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228216 797696423 /nfs/dbraw/zinc/69/64/23/797696423.db2.gz PSKJHTPSLHXUNS-OAHLLOKOSA-N 2 1 313.873 2.148 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866031 797977665 /nfs/dbraw/zinc/97/76/65/797977665.db2.gz SLIWKMGREXOBBC-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158110 798156661 /nfs/dbraw/zinc/15/66/61/798156661.db2.gz HLYMJQVYNJTZDQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158110 798156663 /nfs/dbraw/zinc/15/66/63/798156663.db2.gz HLYMJQVYNJTZDQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158110 798156664 /nfs/dbraw/zinc/15/66/64/798156664.db2.gz HLYMJQVYNJTZDQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197545674 798204674 /nfs/dbraw/zinc/20/46/74/798204674.db2.gz OZOIMAYFQUVOON-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198098486 798280177 /nfs/dbraw/zinc/28/01/77/798280177.db2.gz XPTCWQXAKHOTTQ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098486 798280180 /nfs/dbraw/zinc/28/01/80/798280180.db2.gz XPTCWQXAKHOTTQ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098486 798280182 /nfs/dbraw/zinc/28/01/82/798280182.db2.gz XPTCWQXAKHOTTQ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764781 798465777 /nfs/dbraw/zinc/46/57/77/798465777.db2.gz XISJDYFOLNECLG-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC)CC1 ZINC001158913975 798489167 /nfs/dbraw/zinc/48/91/67/798489167.db2.gz IMJVPOVOBQSKMR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160399567 798683465 /nfs/dbraw/zinc/68/34/65/798683465.db2.gz AHEJUDJISMKOQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160399567 798683468 /nfs/dbraw/zinc/68/34/68/798683468.db2.gz AHEJUDJISMKOQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160399567 798683473 /nfs/dbraw/zinc/68/34/73/798683473.db2.gz AHEJUDJISMKOQM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160954265 798770482 /nfs/dbraw/zinc/77/04/82/798770482.db2.gz UDBXLUNTBZSMIX-INIZCTEOSA-N 2 1 315.465 2.071 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001202495985 798984646 /nfs/dbraw/zinc/98/46/46/798984646.db2.gz LWSIHAWKMMXABN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165569444 799747283 /nfs/dbraw/zinc/74/72/83/799747283.db2.gz ZPILAPCUUJLTPM-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651174 800100152 /nfs/dbraw/zinc/10/01/52/800100152.db2.gz LWQVCIVBHDTMDB-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526085 800370363 /nfs/dbraw/zinc/37/03/63/800370363.db2.gz CRSAHAJHBQIJBS-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206446224 800534922 /nfs/dbraw/zinc/53/49/22/800534922.db2.gz ZGFRUYGTTPSNIL-UHFFFAOYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547108 800552546 /nfs/dbraw/zinc/55/25/46/800552546.db2.gz CZXVUQIOGSGIEB-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206928938 800631108 /nfs/dbraw/zinc/63/11/08/800631108.db2.gz NZIMHCUWXRHXDW-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150877 800850283 /nfs/dbraw/zinc/85/02/83/800850283.db2.gz WSDQXXSZKDXGAM-ZACQAIPSSA-N 2 1 316.449 2.269 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150877 800850288 /nfs/dbraw/zinc/85/02/88/800850288.db2.gz WSDQXXSZKDXGAM-ZACQAIPSSA-N 2 1 316.449 2.269 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473789 800990844 /nfs/dbraw/zinc/99/08/44/800990844.db2.gz DXSGGPCFABECFL-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208613557 801033280 /nfs/dbraw/zinc/03/32/80/801033280.db2.gz NUDJSIXQJONLDZ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208613557 801033286 /nfs/dbraw/zinc/03/32/86/801033286.db2.gz NUDJSIXQJONLDZ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208613557 801033292 /nfs/dbraw/zinc/03/32/92/801033292.db2.gz NUDJSIXQJONLDZ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209162740 801141653 /nfs/dbraw/zinc/14/16/53/801141653.db2.gz ZJQNHIGTAHCZAG-RTBURBONSA-N 2 1 321.509 2.214 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209162740 801141656 /nfs/dbraw/zinc/14/16/56/801141656.db2.gz ZJQNHIGTAHCZAG-RTBURBONSA-N 2 1 321.509 2.214 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209162740 801141659 /nfs/dbraw/zinc/14/16/59/801141659.db2.gz ZJQNHIGTAHCZAG-RTBURBONSA-N 2 1 321.509 2.214 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209487810 801200291 /nfs/dbraw/zinc/20/02/91/801200291.db2.gz DRLOIIRURBXYKO-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209487810 801200299 /nfs/dbraw/zinc/20/02/99/801200299.db2.gz DRLOIIRURBXYKO-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565556 801220657 /nfs/dbraw/zinc/22/06/57/801220657.db2.gz BCAMTVGFJPCCQU-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001229185603 801239077 /nfs/dbraw/zinc/23/90/77/801239077.db2.gz OYOBQFMSNUPJPK-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730121 801265706 /nfs/dbraw/zinc/26/57/06/801265706.db2.gz FXKRKCHRDYLDQR-SFHVURJKSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730121 801265710 /nfs/dbraw/zinc/26/57/10/801265710.db2.gz FXKRKCHRDYLDQR-SFHVURJKSA-N 2 1 314.433 2.027 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229469241 801281367 /nfs/dbraw/zinc/28/13/67/801281367.db2.gz RVPRDYFREKEEEB-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229859875 801328993 /nfs/dbraw/zinc/32/89/93/801328993.db2.gz GQHVOMKGFXSTTH-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210206111 801350765 /nfs/dbraw/zinc/35/07/65/801350765.db2.gz IYZQRSJYPKIICO-SZVBFZGTSA-N 2 1 315.461 2.086 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210206111 801350772 /nfs/dbraw/zinc/35/07/72/801350772.db2.gz IYZQRSJYPKIICO-SZVBFZGTSA-N 2 1 315.461 2.086 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618072 801438174 /nfs/dbraw/zinc/43/81/74/801438174.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618072 801438178 /nfs/dbraw/zinc/43/81/78/801438178.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618072 801438185 /nfs/dbraw/zinc/43/81/85/801438185.db2.gz JRHDKKYILVFHHT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090247 801510601 /nfs/dbraw/zinc/51/06/01/801510601.db2.gz ILMYQBXFMJTYNB-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374996 801556596 /nfs/dbraw/zinc/55/65/96/801556596.db2.gz VKGSMKRUYVYXMB-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC ZINC001226860354 803169368 /nfs/dbraw/zinc/16/93/68/803169368.db2.gz LFBMBXMIRWCGNP-KURKYZTESA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC ZINC001226860354 803169373 /nfs/dbraw/zinc/16/93/73/803169373.db2.gz LFBMBXMIRWCGNP-KURKYZTESA-N 2 1 319.493 2.291 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227225108 803218209 /nfs/dbraw/zinc/21/82/09/803218209.db2.gz KOTQPAWVZTVHHZ-KURKYZTESA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001227224704 803218429 /nfs/dbraw/zinc/21/84/29/803218429.db2.gz HAPRCCALIPDGAY-KURKYZTESA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001331073967 1149374720 /nfs/dbraw/zinc/37/47/20/1149374720.db2.gz FLSJBCBQTSRJTR-HOTGVXAUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001459418196 1058158304 /nfs/dbraw/zinc/15/83/04/1058158304.db2.gz YWNLFDRXPNBQGB-GOSISDBHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001459418196 1058158306 /nfs/dbraw/zinc/15/83/06/1058158306.db2.gz YWNLFDRXPNBQGB-GOSISDBHSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001499896430 1058354839 /nfs/dbraw/zinc/35/48/39/1058354839.db2.gz JNNMWOAIDYXHRI-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001461392082 1058650115 /nfs/dbraw/zinc/65/01/15/1058650115.db2.gz PVRVMWYBQSTCRP-HNNXBMFYSA-N 2 1 303.454 2.063 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001505837158 1061019304 /nfs/dbraw/zinc/01/93/04/1061019304.db2.gz PKVSYMHYIXJZMC-QGZVFWFLSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479519468 1061487867 /nfs/dbraw/zinc/48/78/67/1061487867.db2.gz LPWYCBWUGWORRD-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001479843501 1061891307 /nfs/dbraw/zinc/89/13/07/1061891307.db2.gz GDZKAXOFHLBRNI-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001479843501 1061891318 /nfs/dbraw/zinc/89/13/18/1061891318.db2.gz GDZKAXOFHLBRNI-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001479843501 1061891336 /nfs/dbraw/zinc/89/13/36/1061891336.db2.gz GDZKAXOFHLBRNI-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480089214 1062312319 /nfs/dbraw/zinc/31/23/19/1062312319.db2.gz QJPJSGBORSVPIL-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480287652 1062590808 /nfs/dbraw/zinc/59/08/08/1062590808.db2.gz FZMDUJZHUZXVIC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480333088 1062666930 /nfs/dbraw/zinc/66/69/30/1062666930.db2.gz QMOKPBNLSCTXKD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480333088 1062666937 /nfs/dbraw/zinc/66/69/37/1062666937.db2.gz QMOKPBNLSCTXKD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480333088 1062666942 /nfs/dbraw/zinc/66/69/42/1062666942.db2.gz QMOKPBNLSCTXKD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480396125 1062795140 /nfs/dbraw/zinc/79/51/40/1062795140.db2.gz QZCPPOWEYVQDOE-IGKNDFSCSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001507124917 1062878669 /nfs/dbraw/zinc/87/86/69/1062878669.db2.gz FQSAZJRHLHOCJH-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001508219269 1063615006 /nfs/dbraw/zinc/61/50/06/1063615006.db2.gz DRFCDLICGSHNCE-MRXNPFEDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256341 1063673017 /nfs/dbraw/zinc/67/30/17/1063673017.db2.gz AXKWTCJAZCXJJM-HZPDHXFCSA-N 2 1 318.465 2.146 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001494214460 1064177789 /nfs/dbraw/zinc/17/77/89/1064177789.db2.gz WMEOLMTVLRNULO-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001494214460 1064177793 /nfs/dbraw/zinc/17/77/93/1064177793.db2.gz WMEOLMTVLRNULO-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001494214460 1064177799 /nfs/dbraw/zinc/17/77/99/1064177799.db2.gz WMEOLMTVLRNULO-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494329003 1064214606 /nfs/dbraw/zinc/21/46/06/1064214606.db2.gz WOCHWKGUDDECOU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494329003 1064214614 /nfs/dbraw/zinc/21/46/14/1064214614.db2.gz WOCHWKGUDDECOU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494329003 1064214623 /nfs/dbraw/zinc/21/46/23/1064214623.db2.gz WOCHWKGUDDECOU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494854206 1064515238 /nfs/dbraw/zinc/51/52/38/1064515238.db2.gz WQYPQADPPQMHLI-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001568004475 1064588777 /nfs/dbraw/zinc/58/87/77/1064588777.db2.gz AOBFVRDZINFNHK-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001568238032 1064722532 /nfs/dbraw/zinc/72/25/32/1064722532.db2.gz SNCIEUFWWOEFIM-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001495182553 1064747626 /nfs/dbraw/zinc/74/76/26/1064747626.db2.gz XUOJYYWUBMGOPU-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC001495495974 1064945961 /nfs/dbraw/zinc/94/59/61/1064945961.db2.gz HYNRYXDNUHRXDZ-AWEZNQCLSA-N 2 1 312.417 2.180 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001495698013 1065059646 /nfs/dbraw/zinc/05/96/46/1065059646.db2.gz XQWLWAOJGLAEQS-ZFWWWQNUSA-N 2 1 315.889 2.201 20 30 DEEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001569135707 1065312330 /nfs/dbraw/zinc/31/23/30/1065312330.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135707 1065312333 /nfs/dbraw/zinc/31/23/33/1065312333.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135707 1065312338 /nfs/dbraw/zinc/31/23/38/1065312338.db2.gz ZUGVHNVLKUCEDJ-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386056 1065481597 /nfs/dbraw/zinc/48/15/97/1065481597.db2.gz IYGASXUBDZCEMX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563963 1065564390 /nfs/dbraw/zinc/56/43/90/1065564390.db2.gz AFUQVSIEKRTOTQ-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569715733 1065687987 /nfs/dbraw/zinc/68/79/87/1065687987.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569715733 1065687994 /nfs/dbraw/zinc/68/79/94/1065687994.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569715733 1065687999 /nfs/dbraw/zinc/68/79/99/1065687999.db2.gz QCYNQOVRKYEKKH-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001569884339 1065791351 /nfs/dbraw/zinc/79/13/51/1065791351.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001569884339 1065791355 /nfs/dbraw/zinc/79/13/55/1065791355.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001569884339 1065791368 /nfs/dbraw/zinc/79/13/68/1065791368.db2.gz QUJRBWOSJSCBDA-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001570107068 1065926894 /nfs/dbraw/zinc/92/68/94/1065926894.db2.gz UCAIDUDSWGHBGG-KRWDZBQOSA-N 2 1 317.477 2.045 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001570348358 1066025287 /nfs/dbraw/zinc/02/52/87/1066025287.db2.gz DEDCAJGXYXHMRU-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001497331299 1066032126 /nfs/dbraw/zinc/03/21/26/1066032126.db2.gz LHPGKTUGYDNMTE-WBVHZDCISA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570437586 1066069132 /nfs/dbraw/zinc/06/91/32/1066069132.db2.gz OVDRFXKIISNDKV-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570437586 1066069127 /nfs/dbraw/zinc/06/91/27/1066069127.db2.gz OVDRFXKIISNDKV-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001497396291 1066071564 /nfs/dbraw/zinc/07/15/64/1066071564.db2.gz CMSPSKKBNXVDHR-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498487423 1066740008 /nfs/dbraw/zinc/74/00/08/1066740008.db2.gz GHZLBVZGOYYHDQ-SJORKVTESA-N 2 1 321.509 2.252 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001634640330 1078434129 /nfs/dbraw/zinc/43/41/29/1078434129.db2.gz BJFFGRWKZKYJMT-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001634661429 1078435000 /nfs/dbraw/zinc/43/50/00/1078435000.db2.gz RKRPMHFCNVHPPZ-SFHVURJKSA-N 2 1 315.461 2.131 20 30 DEEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001483368748 1078488415 /nfs/dbraw/zinc/48/84/15/1078488415.db2.gz QQHOFBVOQDGXRJ-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483368748 1078488419 /nfs/dbraw/zinc/48/84/19/1078488419.db2.gz QQHOFBVOQDGXRJ-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483368748 1078488422 /nfs/dbraw/zinc/48/84/22/1078488422.db2.gz QQHOFBVOQDGXRJ-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550596 1068000565 /nfs/dbraw/zinc/00/05/65/1068000565.db2.gz BHTQUVOTAVDNGK-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267182333 1078645959 /nfs/dbraw/zinc/64/59/59/1078645959.db2.gz ZKRCLEIFSUEMGD-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CCC[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001571611799 1068439632 /nfs/dbraw/zinc/43/96/32/1068439632.db2.gz MSGJDONVFCVJNG-KRWDZBQOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001571651408 1068459955 /nfs/dbraw/zinc/45/99/55/1068459955.db2.gz UODMQSXEVCTQME-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001670871838 1078837973 /nfs/dbraw/zinc/83/79/73/1078837973.db2.gz HUSOQSVLMSLBGP-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267460462 1078869277 /nfs/dbraw/zinc/86/92/77/1078869277.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460462 1078869282 /nfs/dbraw/zinc/86/92/82/1078869282.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460462 1078869288 /nfs/dbraw/zinc/86/92/88/1078869288.db2.gz VUMJCVACXNNPBI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC1(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[NH2+]C1 ZINC001574879737 1069284831 /nfs/dbraw/zinc/28/48/31/1069284831.db2.gz JQRGITYMTUVZDR-INIZCTEOSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267519632 1078948372 /nfs/dbraw/zinc/94/83/72/1078948372.db2.gz KGWZAEZXBFRYDZ-DLBZAZTESA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001548702245 1072816065 /nfs/dbraw/zinc/81/60/65/1072816065.db2.gz GSVKGPIENZDHHC-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267546686 1078976887 /nfs/dbraw/zinc/97/68/87/1078976887.db2.gz BYGZGZWKFTZGSN-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267546686 1078976897 /nfs/dbraw/zinc/97/68/97/1078976897.db2.gz BYGZGZWKFTZGSN-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267546686 1078976907 /nfs/dbraw/zinc/97/69/07/1078976907.db2.gz BYGZGZWKFTZGSN-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803083 1079130558 /nfs/dbraw/zinc/13/05/58/1079130558.db2.gz ZEWKODPSDBYBHV-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163059 1079338032 /nfs/dbraw/zinc/33/80/32/1079338032.db2.gz GQYIJGOZJNWZCQ-GOSISDBHSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001565832014 1075191957 /nfs/dbraw/zinc/19/19/57/1075191957.db2.gz SHIGNRQDSHQUHZ-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001566711788 1075323956 /nfs/dbraw/zinc/32/39/56/1075323956.db2.gz VEVKADNKNLIMLW-MSOLQXFVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703647 1079392328 /nfs/dbraw/zinc/39/23/28/1079392328.db2.gz SOGNSBDRJHNOBP-DLBZAZTESA-N 2 1 309.498 2.319 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566854944 1075362675 /nfs/dbraw/zinc/36/26/75/1075362675.db2.gz QZZALGPULDWPPX-BBWFWOEESA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963810 1075402013 /nfs/dbraw/zinc/40/20/13/1075402013.db2.gz ZRMBBFDQVYTCMD-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001566972906 1075405451 /nfs/dbraw/zinc/40/54/51/1075405451.db2.gz WADFBHTXBUSADV-RXYDEIHYSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566972906 1075405453 /nfs/dbraw/zinc/40/54/53/1075405453.db2.gz WADFBHTXBUSADV-RXYDEIHYSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001566972906 1075405457 /nfs/dbraw/zinc/40/54/57/1075405457.db2.gz WADFBHTXBUSADV-RXYDEIHYSA-N 2 1 319.493 2.262 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790526 1079497978 /nfs/dbraw/zinc/49/79/78/1079497978.db2.gz QDUAUIMXBVBAFK-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)C)CC1 ZINC001267926515 1079607990 /nfs/dbraw/zinc/60/79/90/1079607990.db2.gz RRRVHESXPDZZJZ-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)C)CC1 ZINC001267926515 1079607998 /nfs/dbraw/zinc/60/79/98/1079607998.db2.gz RRRVHESXPDZZJZ-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001484561414 1079660929 /nfs/dbraw/zinc/66/09/29/1079660929.db2.gz BHNZCJKJMOHTCH-OAHLLOKOSA-N 2 1 324.428 2.182 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999453 1079680780 /nfs/dbraw/zinc/68/07/80/1079680780.db2.gz WAAJQZMTDAMRHL-ZBFHGGJFSA-N 2 1 318.465 2.062 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484641072 1079700859 /nfs/dbraw/zinc/70/08/59/1079700859.db2.gz NZBWQKOUCXUBFP-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001484986981 1079899796 /nfs/dbraw/zinc/89/97/96/1079899796.db2.gz WNSMDWQZKPGSOP-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001484986981 1079899807 /nfs/dbraw/zinc/89/98/07/1079899807.db2.gz WNSMDWQZKPGSOP-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062417 1079953063 /nfs/dbraw/zinc/95/30/63/1079953063.db2.gz ZBCQFBJEMPSCTF-SFHVURJKSA-N 2 1 322.412 2.042 20 30 DEEDMP C#CCN(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC001485062417 1079953068 /nfs/dbraw/zinc/95/30/68/1079953068.db2.gz ZBCQFBJEMPSCTF-SFHVURJKSA-N 2 1 322.412 2.042 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485085786 1079965260 /nfs/dbraw/zinc/96/52/60/1079965260.db2.gz XEHUWTHJSQIBKO-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001656077843 1080035524 /nfs/dbraw/zinc/03/55/24/1080035524.db2.gz OLIVOQQKUTYRDT-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001656077843 1080035535 /nfs/dbraw/zinc/03/55/35/1080035535.db2.gz OLIVOQQKUTYRDT-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001656077843 1080035547 /nfs/dbraw/zinc/03/55/47/1080035547.db2.gz OLIVOQQKUTYRDT-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268164637 1080146260 /nfs/dbraw/zinc/14/62/60/1080146260.db2.gz YBSNAZCBMFTLPF-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001485436983 1080207107 /nfs/dbraw/zinc/20/71/07/1080207107.db2.gz BRBYORBLRJANNH-QZTJIDSGSA-N 2 1 321.509 2.345 20 30 DEEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001485436985 1080207456 /nfs/dbraw/zinc/20/74/56/1080207456.db2.gz BRBYORBLRJANNH-ZWKOTPCHSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268252118 1080232751 /nfs/dbraw/zinc/23/27/51/1080232751.db2.gz PAEOEHLOBYMGRG-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717351 1080494768 /nfs/dbraw/zinc/49/47/68/1080494768.db2.gz SMCODVVPCNVHBT-GOSISDBHSA-N 2 1 305.466 2.115 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717351 1080494770 /nfs/dbraw/zinc/49/47/70/1080494770.db2.gz SMCODVVPCNVHBT-GOSISDBHSA-N 2 1 305.466 2.115 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001661788137 1080523610 /nfs/dbraw/zinc/52/36/10/1080523610.db2.gz JZCMHWHIDGTKSN-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)CNCCN(CC)C(=O)c1cc2c[nH]ccc-2n1 ZINC001268461259 1080531189 /nfs/dbraw/zinc/53/11/89/1080531189.db2.gz JXPSXOMMVMMOEF-UHFFFAOYSA-N 2 1 306.797 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001268499851 1080649567 /nfs/dbraw/zinc/64/95/67/1080649567.db2.gz QWEFPIYGOTWHHO-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662790314 1080655527 /nfs/dbraw/zinc/65/55/27/1080655527.db2.gz GKWOWYIXEOZUOK-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001662866950 1080670106 /nfs/dbraw/zinc/67/01/06/1080670106.db2.gz CHTQODOKBRWSMN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001662866950 1080670112 /nfs/dbraw/zinc/67/01/12/1080670112.db2.gz CHTQODOKBRWSMN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001482049842 1080750147 /nfs/dbraw/zinc/75/01/47/1080750147.db2.gz LEFWVOWUGIYUQV-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482061437 1080766115 /nfs/dbraw/zinc/76/61/15/1080766115.db2.gz JGJIOXXETNDFOZ-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001482062011 1080766674 /nfs/dbraw/zinc/76/66/74/1080766674.db2.gz WUPVEYFTMDSORU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268947458 1081059871 /nfs/dbraw/zinc/05/98/71/1081059871.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001268947458 1081059879 /nfs/dbraw/zinc/05/98/79/1081059879.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001268947458 1081059884 /nfs/dbraw/zinc/05/98/84/1081059884.db2.gz PTWLHFGZFMDYGG-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001665833225 1081088026 /nfs/dbraw/zinc/08/80/26/1081088026.db2.gz FHYSXDHKKCDWFS-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001665952286 1081101997 /nfs/dbraw/zinc/10/19/97/1081101997.db2.gz VIDBKCFURASYFF-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001269084265 1081111826 /nfs/dbraw/zinc/11/18/26/1081111826.db2.gz SMTMJWQLFIZYHR-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001667028065 1081203405 /nfs/dbraw/zinc/20/34/05/1081203405.db2.gz DLQJMYBQGMCUHC-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001269838808 1081378409 /nfs/dbraw/zinc/37/84/09/1081378409.db2.gz QVHRJOVPDOLEDD-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000950692264 1081394206 /nfs/dbraw/zinc/39/42/06/1081394206.db2.gz INGBKWUEWNNBPR-UHFFFAOYSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001668863906 1081404781 /nfs/dbraw/zinc/40/47/81/1081404781.db2.gz AJAFKBGRPPONGH-FUTAKVPZSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001671887334 1081546764 /nfs/dbraw/zinc/54/67/64/1081546764.db2.gz NAZYJOCEKUDKET-IEBWSBKVSA-N 2 1 319.493 2.123 20 30 DEEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001673601188 1081785188 /nfs/dbraw/zinc/78/51/88/1081785188.db2.gz FIYSMZBFQBABMA-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001673651412 1081789385 /nfs/dbraw/zinc/78/93/85/1081789385.db2.gz VEPOFFVJFAKTGV-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001673651412 1081789392 /nfs/dbraw/zinc/78/93/92/1081789392.db2.gz VEPOFFVJFAKTGV-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001673651412 1081789401 /nfs/dbraw/zinc/78/94/01/1081789401.db2.gz VEPOFFVJFAKTGV-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001674135828 1081844174 /nfs/dbraw/zinc/84/41/74/1081844174.db2.gz SFCKTTNPCRIZSA-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001674348424 1081861859 /nfs/dbraw/zinc/86/18/59/1081861859.db2.gz TXPACEQSIJOMNZ-GOSISDBHSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266247341 1081915770 /nfs/dbraw/zinc/91/57/70/1081915770.db2.gz IXVUWPWUHBYKSU-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001271585398 1082087682 /nfs/dbraw/zinc/08/76/82/1082087682.db2.gz NJEGYPNIABWJOR-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001271783792 1082153100 /nfs/dbraw/zinc/15/31/00/1082153100.db2.gz GKSNRYKKIYEXDR-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001670586986 1082189434 /nfs/dbraw/zinc/18/94/34/1082189434.db2.gz DHFAOKQVWOCXRM-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266860215 1082404734 /nfs/dbraw/zinc/40/47/34/1082404734.db2.gz ZUJLGGWDVBSJPM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893552 1082436200 /nfs/dbraw/zinc/43/62/00/1082436200.db2.gz CMJAZVSCHWTKEQ-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266901886 1082441895 /nfs/dbraw/zinc/44/18/95/1082441895.db2.gz DJBPWUSBPCWRJV-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266901886 1082441896 /nfs/dbraw/zinc/44/18/96/1082441896.db2.gz DJBPWUSBPCWRJV-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266901886 1082441897 /nfs/dbraw/zinc/44/18/97/1082441897.db2.gz DJBPWUSBPCWRJV-IECFSIQFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483011541 1082623861 /nfs/dbraw/zinc/62/38/61/1082623861.db2.gz QJARARRVBDNMRN-IWAYRVGRSA-N 2 1 319.493 2.479 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001277324144 1083910388 /nfs/dbraw/zinc/91/03/88/1083910388.db2.gz LLKPCNMGKYJTOX-ALOPSCKCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557308 1084088494 /nfs/dbraw/zinc/08/84/94/1084088494.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557308 1084088505 /nfs/dbraw/zinc/08/85/05/1084088505.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557308 1084088511 /nfs/dbraw/zinc/08/85/11/1084088511.db2.gz OKNFZJMSVOMYBB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001280875058 1084095700 /nfs/dbraw/zinc/09/57/00/1084095700.db2.gz VEPQJDIGYINTEY-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001670940804 1084159342 /nfs/dbraw/zinc/15/93/42/1084159342.db2.gz WTOYOQPJVJTEOL-OOKSDGMUSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001491260573 1084188536 /nfs/dbraw/zinc/18/85/36/1084188536.db2.gz ROQJNEGHUGNIQH-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235007890 1084269914 /nfs/dbraw/zinc/26/99/14/1084269914.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235007890 1084269926 /nfs/dbraw/zinc/26/99/26/1084269926.db2.gz RWGWPIGMVLYMQX-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000964030677 1085154073 /nfs/dbraw/zinc/15/40/73/1085154073.db2.gz UWGSAMSRHKMUME-IOAIVIQVSA-N 2 1 317.477 2.206 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001486373845 1085246671 /nfs/dbraw/zinc/24/66/71/1085246671.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C(C)C ZINC001486373845 1085246676 /nfs/dbraw/zinc/24/66/76/1085246676.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)C(C)C ZINC001486373845 1085246682 /nfs/dbraw/zinc/24/66/82/1085246682.db2.gz FKAASADPTFQZAQ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001486510003 1085393943 /nfs/dbraw/zinc/39/39/43/1085393943.db2.gz ZKZRVFGVIWDDBG-KRWDZBQOSA-N 2 1 316.449 2.405 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933110 1085701187 /nfs/dbraw/zinc/70/11/87/1085701187.db2.gz NSXZLMVNOKZMQG-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075278 1085780446 /nfs/dbraw/zinc/78/04/46/1085780446.db2.gz KEUIACUVOFUYQP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018391 1085978766 /nfs/dbraw/zinc/97/87/66/1085978766.db2.gz KAKORCIURKJMOY-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029358 1086034101 /nfs/dbraw/zinc/03/41/01/1086034101.db2.gz BUBXKJRZTPLGLW-IBGZPJMESA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101047 1086176129 /nfs/dbraw/zinc/17/61/29/1086176129.db2.gz MFQYMYXWDLGDPG-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001671060221 1086365274 /nfs/dbraw/zinc/36/52/74/1086365274.db2.gz YZTMYPMGLOHUHJ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416436 1086448484 /nfs/dbraw/zinc/44/84/84/1086448484.db2.gz LHQQKCRSYZSGBH-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000963838426 1086572018 /nfs/dbraw/zinc/57/20/18/1086572018.db2.gz YVBLJHBBZVRZHJ-JUVOFCAFSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCCN1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113160 1088037526 /nfs/dbraw/zinc/03/75/26/1088037526.db2.gz AZZDDXPFLOQOER-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCCN1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113159 1088038888 /nfs/dbraw/zinc/03/88/88/1088038888.db2.gz AZZDDXPFLOQOER-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903748 1089085514 /nfs/dbraw/zinc/08/55/14/1089085514.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903748 1089085531 /nfs/dbraw/zinc/08/55/31/1089085531.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903748 1089085548 /nfs/dbraw/zinc/08/55/48/1089085548.db2.gz KGJLUIYWXATARA-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001080667678 1089141257 /nfs/dbraw/zinc/14/12/57/1089141257.db2.gz QJMKLRJZBSUERO-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001080710685 1089152222 /nfs/dbraw/zinc/15/22/22/1089152222.db2.gz ORMCSPDBKXPHQR-CRAIPNDOSA-N 2 1 324.428 2.499 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521515 1089998350 /nfs/dbraw/zinc/99/83/50/1089998350.db2.gz KYMGJUNSDLPLNZ-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001274623875 1091334302 /nfs/dbraw/zinc/33/43/02/1091334302.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 1 304.438 2.278 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001274623875 1091334313 /nfs/dbraw/zinc/33/43/13/1091334313.db2.gz NRTUZSIRNOBEKD-HUUCEWRRSA-N 2 1 304.438 2.278 20 30 DEEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001273559879 1091922828 /nfs/dbraw/zinc/92/28/28/1091922828.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273559879 1091922836 /nfs/dbraw/zinc/92/28/36/1091922836.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273559879 1091922844 /nfs/dbraw/zinc/92/28/44/1091922844.db2.gz FODLDYRUQFWQSV-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772283 1091927677 /nfs/dbraw/zinc/92/76/77/1091927677.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772283 1091927683 /nfs/dbraw/zinc/92/76/83/1091927683.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772283 1091927694 /nfs/dbraw/zinc/92/76/94/1091927694.db2.gz VIOKDUNFWVZQIO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001275681469 1091995489 /nfs/dbraw/zinc/99/54/89/1091995489.db2.gz SLFAUPZHTJDNDP-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001273757290 1092034470 /nfs/dbraw/zinc/03/44/70/1092034470.db2.gz YFNPXJQIXMRPSX-KRWDZBQOSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928017 1092332554 /nfs/dbraw/zinc/33/25/54/1092332554.db2.gz CDJWJMUKXKHVQC-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928017 1092332568 /nfs/dbraw/zinc/33/25/68/1092332568.db2.gz CDJWJMUKXKHVQC-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001488666573 1092672243 /nfs/dbraw/zinc/67/22/43/1092672243.db2.gz BYRDKMUNINSQCD-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001488666573 1092672250 /nfs/dbraw/zinc/67/22/50/1092672250.db2.gz BYRDKMUNINSQCD-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001490242447 1093256106 /nfs/dbraw/zinc/25/61/06/1093256106.db2.gz MIVRUPXEFMBZCK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001490242447 1093256111 /nfs/dbraw/zinc/25/61/11/1093256111.db2.gz MIVRUPXEFMBZCK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001490362268 1093353365 /nfs/dbraw/zinc/35/33/65/1093353365.db2.gz SYYWRRKVCJEGPP-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001490362268 1093353374 /nfs/dbraw/zinc/35/33/74/1093353374.db2.gz SYYWRRKVCJEGPP-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001278095102 1138617892 /nfs/dbraw/zinc/61/78/92/1138617892.db2.gz UJNOVWDEBTUWPW-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC[NH+](C(C)C)CC1 ZINC001278150939 1138800842 /nfs/dbraw/zinc/80/08/42/1138800842.db2.gz GGQWCPVMZVFXFE-ZWKOTPCHSA-N 2 1 319.493 2.051 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491799930 1140314542 /nfs/dbraw/zinc/31/45/42/1140314542.db2.gz BBIKLSMGBJTWGT-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445552 1140331551 /nfs/dbraw/zinc/33/15/51/1140331551.db2.gz NBCLFJJDEXKYPK-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318474046 1140342380 /nfs/dbraw/zinc/34/23/80/1140342380.db2.gz RBNXZOLUPNLNIN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318474046 1140342389 /nfs/dbraw/zinc/34/23/89/1140342389.db2.gz RBNXZOLUPNLNIN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001318474046 1140342401 /nfs/dbraw/zinc/34/24/01/1140342401.db2.gz RBNXZOLUPNLNIN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001319021381 1140491778 /nfs/dbraw/zinc/49/17/78/1140491778.db2.gz YOPWKUVKXAIHCF-HZPDHXFCSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)[nH+]c(C)c2)CC1 ZINC001319367791 1140557285 /nfs/dbraw/zinc/55/72/85/1140557285.db2.gz ADJWVELLQYPKDO-UHFFFAOYSA-N 2 1 302.422 2.282 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001319460454 1140583551 /nfs/dbraw/zinc/58/35/51/1140583551.db2.gz MTSAPJSGDGZUQD-GJZGRUSLSA-N 2 1 306.454 2.409 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319751578 1140703562 /nfs/dbraw/zinc/70/35/62/1140703562.db2.gz QXNUXFQBEGWRDW-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001319891304 1140800939 /nfs/dbraw/zinc/80/09/39/1140800939.db2.gz TVERKRHUTRYZJB-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP CCCCCCC[C@H](C)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246624044 1141008994 /nfs/dbraw/zinc/00/89/94/1141008994.db2.gz DGPJHBRVNYLNOR-MAUKXSAKSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769781 1141053349 /nfs/dbraw/zinc/05/33/49/1141053349.db2.gz RLBUMXWUBWZYQS-MPBYHJMHSA-N 2 1 306.450 2.096 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278468084 1141081335 /nfs/dbraw/zinc/08/13/35/1141081335.db2.gz XGZNPHROCXCUIJ-JFIYKMOQSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001321876150 1141358824 /nfs/dbraw/zinc/35/88/24/1141358824.db2.gz OXUHTWDUJZAHHJ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001321876150 1141358833 /nfs/dbraw/zinc/35/88/33/1141358833.db2.gz OXUHTWDUJZAHHJ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860220 1141894253 /nfs/dbraw/zinc/89/42/53/1141894253.db2.gz OXZSUNOXGCDLGR-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278613958 1142347696 /nfs/dbraw/zinc/34/76/96/1142347696.db2.gz QIISDHQTDZCMRE-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278662465 1142693573 /nfs/dbraw/zinc/69/35/73/1142693573.db2.gz CCDRLEFEUIRFNF-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252594742 1142773907 /nfs/dbraw/zinc/77/39/07/1142773907.db2.gz BCXMJRWMBJQGNB-OWCLPIDISA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252594742 1142773913 /nfs/dbraw/zinc/77/39/13/1142773913.db2.gz BCXMJRWMBJQGNB-OWCLPIDISA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252594742 1142773921 /nfs/dbraw/zinc/77/39/21/1142773921.db2.gz BCXMJRWMBJQGNB-OWCLPIDISA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252594742 1142773927 /nfs/dbraw/zinc/77/39/27/1142773927.db2.gz BCXMJRWMBJQGNB-OWCLPIDISA-N 2 1 306.475 2.439 20 30 DEEDMP N#C[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930137 1142831577 /nfs/dbraw/zinc/83/15/77/1142831577.db2.gz NXYXSGPBCZIKIX-PKOBYXMFSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930137 1142831578 /nfs/dbraw/zinc/83/15/78/1142831578.db2.gz NXYXSGPBCZIKIX-PKOBYXMFSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252930137 1142831579 /nfs/dbraw/zinc/83/15/79/1142831579.db2.gz NXYXSGPBCZIKIX-PKOBYXMFSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252930137 1142831581 /nfs/dbraw/zinc/83/15/81/1142831581.db2.gz NXYXSGPBCZIKIX-PKOBYXMFSA-N 2 1 313.445 2.249 20 30 DEEDMP C=C[C@H](O)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001253578134 1142882027 /nfs/dbraw/zinc/88/20/27/1142882027.db2.gz WDISGYMNFSYDOT-SFHVURJKSA-N 2 1 315.461 2.305 20 30 DEEDMP CN1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255421578 1143613514 /nfs/dbraw/zinc/61/35/14/1143613514.db2.gz LMBAZEQOIJODBJ-FHWLQOOXSA-N 2 1 312.461 2.334 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CCN(C)CC1)C2 ZINC001256203042 1143834892 /nfs/dbraw/zinc/83/48/92/1143834892.db2.gz BXFLPYKKWODIGW-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256203042 1143834893 /nfs/dbraw/zinc/83/48/93/1143834893.db2.gz BXFLPYKKWODIGW-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256203042 1143834897 /nfs/dbraw/zinc/83/48/97/1143834897.db2.gz BXFLPYKKWODIGW-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001263900710 1144421843 /nfs/dbraw/zinc/42/18/43/1144421843.db2.gz QWCMTANGPCFNQB-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264032291 1144445709 /nfs/dbraw/zinc/44/57/09/1144445709.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264032291 1144445712 /nfs/dbraw/zinc/44/57/12/1144445712.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264032291 1144445715 /nfs/dbraw/zinc/44/57/15/1144445715.db2.gz JRLFSQGINOOWOP-DJIMGWMZSA-N 2 1 307.482 2.118 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264120204 1144474183 /nfs/dbraw/zinc/47/41/83/1144474183.db2.gz FJUDGOWANPSNSH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265306747 1144689225 /nfs/dbraw/zinc/68/92/25/1144689225.db2.gz WSFYHHDQBUVQAP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306747 1144689228 /nfs/dbraw/zinc/68/92/28/1144689228.db2.gz WSFYHHDQBUVQAP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306747 1144689232 /nfs/dbraw/zinc/68/92/32/1144689232.db2.gz WSFYHHDQBUVQAP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001265488153 1144706693 /nfs/dbraw/zinc/70/66/93/1144706693.db2.gz USVINQYXWFDWAQ-WKILWMFISA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266215469 1144815331 /nfs/dbraw/zinc/81/53/31/1144815331.db2.gz KTCFPOPJGJPIQQ-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215469 1144815332 /nfs/dbraw/zinc/81/53/32/1144815332.db2.gz KTCFPOPJGJPIQQ-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215469 1144815333 /nfs/dbraw/zinc/81/53/33/1144815333.db2.gz KTCFPOPJGJPIQQ-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266219129 1144815485 /nfs/dbraw/zinc/81/54/85/1144815485.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266219129 1144815486 /nfs/dbraw/zinc/81/54/86/1144815486.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266219129 1144815488 /nfs/dbraw/zinc/81/54/88/1144815488.db2.gz WEFHKVKMOPMVFZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219737 1144815778 /nfs/dbraw/zinc/81/57/78/1144815778.db2.gz IYDFDWIPMLGKKM-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CC[N@H+](C)CC)cc1 ZINC001280355233 1144836455 /nfs/dbraw/zinc/83/64/55/1144836455.db2.gz ZLKUQQQOJFBJGU-INIZCTEOSA-N 2 1 315.461 2.319 20 30 DEEDMP C[N@H+]1C[C@]23C[NH+](C[C@H](O)CC4(C#N)CCC4)C[C@@]2(C1)CCCC3 ZINC001364841874 1145621637 /nfs/dbraw/zinc/62/16/37/1145621637.db2.gz TUPZBNLWGCFFHR-QRQLOZEOSA-N 2 1 317.477 2.239 20 30 DEEDMP C[NH+]1C[C@]23C[N@H+](C[C@H](O)CC4(C#N)CCC4)C[C@@]2(C1)CCCC3 ZINC001364841874 1145621649 /nfs/dbraw/zinc/62/16/49/1145621649.db2.gz TUPZBNLWGCFFHR-QRQLOZEOSA-N 2 1 317.477 2.239 20 30 DEEDMP C[NH+]1C[C@]23C[N@@H+](C[C@H](O)CC4(C#N)CCC4)C[C@@]2(C1)CCCC3 ZINC001364841874 1145621662 /nfs/dbraw/zinc/62/16/62/1145621662.db2.gz TUPZBNLWGCFFHR-QRQLOZEOSA-N 2 1 317.477 2.239 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001284056464 1145777558 /nfs/dbraw/zinc/77/75/58/1145777558.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCc3cnc[nH]3)CCC[C@@H]12 ZINC001284056464 1145777566 /nfs/dbraw/zinc/77/75/66/1145777566.db2.gz GZRDFDARYCJTAU-WBVHZDCISA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001284072078 1145785257 /nfs/dbraw/zinc/78/52/57/1145785257.db2.gz PFKCPTNLVZXVBB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001284072078 1145785264 /nfs/dbraw/zinc/78/52/64/1145785264.db2.gz PFKCPTNLVZXVBB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001284072078 1145785270 /nfs/dbraw/zinc/78/52/70/1145785270.db2.gz PFKCPTNLVZXVBB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001284072080 1145786048 /nfs/dbraw/zinc/78/60/48/1145786048.db2.gz PFKCPTNLVZXVBB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001284072080 1145786057 /nfs/dbraw/zinc/78/60/57/1145786057.db2.gz PFKCPTNLVZXVBB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001284072080 1145786069 /nfs/dbraw/zinc/78/60/69/1145786069.db2.gz PFKCPTNLVZXVBB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001284150273 1145808209 /nfs/dbraw/zinc/80/82/09/1145808209.db2.gz ALUMHRQEDLKICV-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001284719475 1145895061 /nfs/dbraw/zinc/89/50/61/1145895061.db2.gz OQLFRFMOGGKUFU-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001284818103 1145924908 /nfs/dbraw/zinc/92/49/08/1145924908.db2.gz COLPELHZFVLDJV-KLAILNCOSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001316638433 1146078273 /nfs/dbraw/zinc/07/82/73/1146078273.db2.gz VZIDSBKCXOKOIO-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001491900096 1146967032 /nfs/dbraw/zinc/96/70/32/1146967032.db2.gz ZMYQEEABNCXFNA-GOSISDBHSA-N 2 1 315.461 2.105 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001316707768 1147372670 /nfs/dbraw/zinc/37/26/70/1147372670.db2.gz GDCFAVSGZHMWNC-IKGGRYGDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001316740847 1147385024 /nfs/dbraw/zinc/38/50/24/1147385024.db2.gz QGHNPLHEXSZYSS-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001316740847 1147385028 /nfs/dbraw/zinc/38/50/28/1147385028.db2.gz QGHNPLHEXSZYSS-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812479 1147583428 /nfs/dbraw/zinc/58/34/28/1147583428.db2.gz WVRGRFPFWBGEBC-SJORKVTESA-N 2 1 321.509 2.203 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316804400 1147603256 /nfs/dbraw/zinc/60/32/56/1147603256.db2.gz JOKWNGIRZSFHCG-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCC1CCCC1 ZINC001316828370 1147609196 /nfs/dbraw/zinc/60/91/96/1147609196.db2.gz CHWFQSCDIDTQBI-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCC1CCCC1 ZINC001316828370 1147609198 /nfs/dbraw/zinc/60/91/98/1147609198.db2.gz CHWFQSCDIDTQBI-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001316828370 1147609202 /nfs/dbraw/zinc/60/92/02/1147609202.db2.gz CHWFQSCDIDTQBI-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1CCCC1 ZINC001316828370 1147609207 /nfs/dbraw/zinc/60/92/07/1147609207.db2.gz CHWFQSCDIDTQBI-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317422664 1147705027 /nfs/dbraw/zinc/70/50/27/1147705027.db2.gz IGTFDLADXOODLX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317422664 1147705028 /nfs/dbraw/zinc/70/50/28/1147705028.db2.gz IGTFDLADXOODLX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317422664 1147705029 /nfs/dbraw/zinc/70/50/29/1147705029.db2.gz IGTFDLADXOODLX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317504199 1147716989 /nfs/dbraw/zinc/71/69/89/1147716989.db2.gz BIJAYLGQCXXELI-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001317700142 1147745333 /nfs/dbraw/zinc/74/53/33/1147745333.db2.gz NAAVSOZLCODGBJ-INIZCTEOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001317700142 1147745335 /nfs/dbraw/zinc/74/53/35/1147745335.db2.gz NAAVSOZLCODGBJ-INIZCTEOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757768 1147841016 /nfs/dbraw/zinc/84/10/16/1147841016.db2.gz NSQJPGFYSPZBQC-MAUKXSAKSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001326351025 1148083063 /nfs/dbraw/zinc/08/30/63/1148083063.db2.gz ULEKTNIDXQTACA-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000602595872 360449084 /nfs/dbraw/zinc/44/90/84/360449084.db2.gz FKKASSPWPJQINC-QAPCUYQASA-N 2 1 301.434 2.283 20 30 DEEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110661 360704471 /nfs/dbraw/zinc/70/44/71/360704471.db2.gz ONOKMKWNGNZATF-SFHVURJKSA-N 2 1 322.497 2.239 20 30 DEEDMP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCCCC#N ZINC000611287805 361572456 /nfs/dbraw/zinc/57/24/56/361572456.db2.gz OXAOHEMXZQWAKR-HOTGVXAUSA-N 2 1 315.417 2.029 20 30 DEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000447545534 239011684 /nfs/dbraw/zinc/01/16/84/239011684.db2.gz XLMUDISJVODNEH-QRVBRYPASA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000447545534 239011695 /nfs/dbraw/zinc/01/16/95/239011695.db2.gz XLMUDISJVODNEH-QRVBRYPASA-N 2 1 313.445 2.295 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106035436 194181693 /nfs/dbraw/zinc/18/16/93/194181693.db2.gz JASRCIJRBCWULW-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CC1)c1cccc(OC)c1 ZINC000066242698 284811076 /nfs/dbraw/zinc/81/10/76/284811076.db2.gz OEAGOTBGYHPVBF-MRXNPFEDSA-N 2 1 304.438 2.145 20 30 DEEDMP COC(=O)c1cccc(CN2CC[C@@H](c3nccn3C)C2)c1C#N ZINC000566017263 292197681 /nfs/dbraw/zinc/19/76/81/292197681.db2.gz GEVYVKZPVMPQAI-CQSZACIVSA-N 2 1 324.384 2.068 20 30 DEEDMP C[N@@H+](CCN1CC[NH+](CCCCC#N)CC1)Cc1ccccc1 ZINC000066534555 402135726 /nfs/dbraw/zinc/13/57/26/402135726.db2.gz PSXWGYPUXHVSQB-UHFFFAOYSA-N 2 1 314.477 2.430 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694674 402141806 /nfs/dbraw/zinc/14/18/06/402141806.db2.gz OHBQFFHKRZXVLT-LBPRGKRZSA-N 2 1 309.483 2.155 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154178 402199429 /nfs/dbraw/zinc/19/94/29/402199429.db2.gz SCACJYIWPMXYIR-KRWDZBQOSA-N 2 1 316.449 2.313 20 30 DEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1 ZINC000344145295 403937177 /nfs/dbraw/zinc/93/71/77/403937177.db2.gz OXBKDPQRGWXJCJ-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP C=CCOCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000348171957 404047699 /nfs/dbraw/zinc/04/76/99/404047699.db2.gz WSQVSECORSEHDY-GOSISDBHSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000348171957 404047705 /nfs/dbraw/zinc/04/77/05/404047705.db2.gz WSQVSECORSEHDY-GOSISDBHSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000348171957 404047714 /nfs/dbraw/zinc/04/77/14/404047714.db2.gz WSQVSECORSEHDY-GOSISDBHSA-N 2 1 303.450 2.428 20 30 DEEDMP C=CCOCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000348171957 404047722 /nfs/dbraw/zinc/04/77/22/404047722.db2.gz WSQVSECORSEHDY-GOSISDBHSA-N 2 1 303.450 2.428 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001422899358 1172905042 /nfs/dbraw/zinc/90/50/42/1172905042.db2.gz IEENMZBJNKLTJQ-RBSFLKMASA-N 2 1 313.873 2.096 20 30 DEEDMP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000353454657 404835361 /nfs/dbraw/zinc/83/53/61/404835361.db2.gz LEZWBHVRNMSDGH-IBGZPJMESA-N 2 1 312.461 2.457 20 30 DEEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000489424609 406404873 /nfs/dbraw/zinc/40/48/73/406404873.db2.gz KJSRYCRTWXDQGQ-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000489424609 406404876 /nfs/dbraw/zinc/40/48/76/406404876.db2.gz KJSRYCRTWXDQGQ-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000491688378 406669437 /nfs/dbraw/zinc/66/94/37/406669437.db2.gz AZDHONKGBWXXEM-MRXNPFEDSA-N 2 1 318.461 2.488 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000491688378 406669441 /nfs/dbraw/zinc/66/94/41/406669441.db2.gz AZDHONKGBWXXEM-MRXNPFEDSA-N 2 1 318.461 2.488 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000195291249 225202304 /nfs/dbraw/zinc/20/23/04/225202304.db2.gz GVZCVCQQEGTIHC-INIZCTEOSA-N 2 1 309.417 2.330 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)c1cccc(OC)c1 ZINC000273131859 279161446 /nfs/dbraw/zinc/16/14/46/279161446.db2.gz AQPPSCPOUABWMN-QGZVFWFLSA-N 2 1 318.465 2.487 20 30 DEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000582660199 337117122 /nfs/dbraw/zinc/11/71/22/337117122.db2.gz OUXYTJZNFPSKBZ-LHUBUQBQSA-N 2 1 314.433 2.231 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001378378337 1152309839 /nfs/dbraw/zinc/30/98/39/1152309839.db2.gz HVXXWDMTFGSBJP-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001330020930 1149034980 /nfs/dbraw/zinc/03/49/80/1149034980.db2.gz JUCWJGXNJRZDEZ-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330231311 1149075635 /nfs/dbraw/zinc/07/56/35/1149075635.db2.gz YDLDVRFWVVSJQM-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330301045 1149089163 /nfs/dbraw/zinc/08/91/63/1149089163.db2.gz QDLDELSRZZNDQA-UHFFFAOYSA-N 2 1 321.440 2.260 20 30 DEEDMP N#CCCOCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200900 534651932 /nfs/dbraw/zinc/65/19/32/534651932.db2.gz KSCPEYMBCJZCOX-MOPGFXCFSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200900 534651936 /nfs/dbraw/zinc/65/19/36/534651936.db2.gz KSCPEYMBCJZCOX-MOPGFXCFSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200900 534651943 /nfs/dbraw/zinc/65/19/43/534651943.db2.gz KSCPEYMBCJZCOX-MOPGFXCFSA-N 2 1 313.445 2.371 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccon1 ZINC000261795149 526349033 /nfs/dbraw/zinc/34/90/33/526349033.db2.gz QWEZRAZGWFXGTM-AWEZNQCLSA-N 2 1 321.469 2.192 20 30 DEEDMP C=CC[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341425638 527039102 /nfs/dbraw/zinc/03/91/02/527039102.db2.gz BAQKNQDGSAMHIQ-SJORKVTESA-N 2 1 324.513 2.399 20 30 DEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248481381 527210519 /nfs/dbraw/zinc/21/05/19/527210519.db2.gz BEHRQUXHXZLWQE-NCXUSEDFSA-N 2 1 300.446 2.424 20 30 DEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248481383 527211176 /nfs/dbraw/zinc/21/11/76/527211176.db2.gz BEHRQUXHXZLWQE-WJFTUGDTSA-N 2 1 300.446 2.424 20 30 DEEDMP CCCNC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262522199 528160612 /nfs/dbraw/zinc/16/06/12/528160612.db2.gz JDKMMGUFRPFURV-UHFFFAOYSA-N 2 1 310.486 2.114 20 30 DEEDMP CCCNC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262522199 528160616 /nfs/dbraw/zinc/16/06/16/528160616.db2.gz JDKMMGUFRPFURV-UHFFFAOYSA-N 2 1 310.486 2.114 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@@H](CC)C2)C1 ZINC000261813174 528256337 /nfs/dbraw/zinc/25/63/37/528256337.db2.gz HTSDWNLSPFJHHN-CABCVRRESA-N 2 1 312.527 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001368730519 1148622077 /nfs/dbraw/zinc/62/20/77/1148622077.db2.gz IRRKTJAIZFZFDX-LSDHHAIUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008042065 625313553 /nfs/dbraw/zinc/31/35/53/625313553.db2.gz ALQZIZULEBGXRW-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694840 625390843 /nfs/dbraw/zinc/39/08/43/625390843.db2.gz MGEWQAAJGKCKOJ-KRWDZBQOSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023761787 625427620 /nfs/dbraw/zinc/42/76/20/625427620.db2.gz JJDAJYBPJLUNED-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761787 625427624 /nfs/dbraw/zinc/42/76/24/625427624.db2.gz JJDAJYBPJLUNED-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023761787 625427636 /nfs/dbraw/zinc/42/76/36/625427636.db2.gz JJDAJYBPJLUNED-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023762227 625428243 /nfs/dbraw/zinc/42/82/43/625428243.db2.gz UQWOFJDKJKQSNF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023762227 625428245 /nfs/dbraw/zinc/42/82/45/625428245.db2.gz UQWOFJDKJKQSNF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472418 625466386 /nfs/dbraw/zinc/46/63/86/625466386.db2.gz QEFYINSZPDLCLL-GDBMZVCRSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001026518404 625494690 /nfs/dbraw/zinc/49/46/90/625494690.db2.gz SYAPOAULAPYCNC-WLYUNCDWSA-N 2 1 316.449 2.026 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525722 625501228 /nfs/dbraw/zinc/50/12/28/625501228.db2.gz RLOZHOMZTPLFCS-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319074 623400634 /nfs/dbraw/zinc/40/06/34/623400634.db2.gz RBKLFILCNGYYEQ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970328339 623404102 /nfs/dbraw/zinc/40/41/02/623404102.db2.gz JGWVMOMZQPAGHM-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752364 623660583 /nfs/dbraw/zinc/66/05/83/623660583.db2.gz SOBUPDWHIUAQTQ-AWEZNQCLSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971564632 624187579 /nfs/dbraw/zinc/18/75/79/624187579.db2.gz ZGAVYUJZYACMEG-HUUCEWRRSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971564632 624187580 /nfs/dbraw/zinc/18/75/80/624187580.db2.gz ZGAVYUJZYACMEG-HUUCEWRRSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156502 624871830 /nfs/dbraw/zinc/87/18/30/624871830.db2.gz MSQZUSOXPHXKKH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156502 624871832 /nfs/dbraw/zinc/87/18/32/624871832.db2.gz MSQZUSOXPHXKKH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156502 624871833 /nfs/dbraw/zinc/87/18/33/624871833.db2.gz MSQZUSOXPHXKKH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340379 624935131 /nfs/dbraw/zinc/93/51/31/624935131.db2.gz RWROXHGIVYSATI-GOSISDBHSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761456 625042604 /nfs/dbraw/zinc/04/26/04/625042604.db2.gz GTXASDWURSGSNL-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761456 625042608 /nfs/dbraw/zinc/04/26/08/625042608.db2.gz GTXASDWURSGSNL-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413115 625259506 /nfs/dbraw/zinc/25/95/06/625259506.db2.gz AEIGHOJZWWCVSK-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413115 625259513 /nfs/dbraw/zinc/25/95/13/625259513.db2.gz AEIGHOJZWWCVSK-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413115 625259519 /nfs/dbraw/zinc/25/95/19/625259519.db2.gz AEIGHOJZWWCVSK-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413114 625259771 /nfs/dbraw/zinc/25/97/71/625259771.db2.gz AEIGHOJZWWCVSK-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413114 625259782 /nfs/dbraw/zinc/25/97/82/625259782.db2.gz AEIGHOJZWWCVSK-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413114 625259792 /nfs/dbraw/zinc/25/97/92/625259792.db2.gz AEIGHOJZWWCVSK-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696676 634446859 /nfs/dbraw/zinc/44/68/59/634446859.db2.gz QPRCPVJJTVRAFM-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696676 634446862 /nfs/dbraw/zinc/44/68/62/634446862.db2.gz QPRCPVJJTVRAFM-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619886 625936668 /nfs/dbraw/zinc/93/66/68/625936668.db2.gz HDNIYLXISJWUFY-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619886 625936676 /nfs/dbraw/zinc/93/66/76/625936676.db2.gz HDNIYLXISJWUFY-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619886 625936682 /nfs/dbraw/zinc/93/66/82/625936682.db2.gz HDNIYLXISJWUFY-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC000995870575 633132354 /nfs/dbraw/zinc/13/23/54/633132354.db2.gz JCJBMSSRQJJZIG-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974747868 633279608 /nfs/dbraw/zinc/27/96/08/633279608.db2.gz SBGQZGZHRFAOKY-QGZVFWFLSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000996651264 633329818 /nfs/dbraw/zinc/32/98/18/633329818.db2.gz AERMQFHQGRTUKI-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996677661 633347539 /nfs/dbraw/zinc/34/75/39/633347539.db2.gz WVSCWDYWVRPEQR-IAGOWNOFSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008738503 633352815 /nfs/dbraw/zinc/35/28/15/633352815.db2.gz OJNKFIGONQRYDL-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008738503 633352817 /nfs/dbraw/zinc/35/28/17/633352817.db2.gz OJNKFIGONQRYDL-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112128 633428124 /nfs/dbraw/zinc/42/81/24/633428124.db2.gz QLWUHNHRGFKPFW-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112128 633428127 /nfs/dbraw/zinc/42/81/27/633428127.db2.gz QLWUHNHRGFKPFW-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975112128 633428128 /nfs/dbraw/zinc/42/81/28/633428128.db2.gz QLWUHNHRGFKPFW-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975112128 633428131 /nfs/dbraw/zinc/42/81/31/633428131.db2.gz QLWUHNHRGFKPFW-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975114853 633429462 /nfs/dbraw/zinc/42/94/62/633429462.db2.gz XHWVNTSJXWYBAR-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975114853 633429464 /nfs/dbraw/zinc/42/94/64/633429464.db2.gz XHWVNTSJXWYBAR-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997079969 633567898 /nfs/dbraw/zinc/56/78/98/633567898.db2.gz URCXDKVPMMRKHL-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997120120 633602249 /nfs/dbraw/zinc/60/22/49/633602249.db2.gz MQDVKBLJFXHZKJ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997333401 633702618 /nfs/dbraw/zinc/70/26/18/633702618.db2.gz LOHZFNHCJYGFQB-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027411320 633750158 /nfs/dbraw/zinc/75/01/58/633750158.db2.gz OZAFDFLQLLEQLE-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027469632 633841645 /nfs/dbraw/zinc/84/16/45/633841645.db2.gz GYVULKSZADQFCY-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027469632 633841649 /nfs/dbraw/zinc/84/16/49/633841649.db2.gz GYVULKSZADQFCY-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027469632 633841654 /nfs/dbraw/zinc/84/16/54/633841654.db2.gz GYVULKSZADQFCY-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244783 634909229 /nfs/dbraw/zinc/90/92/29/634909229.db2.gz YXRBJMDHFWPJDC-KSZLIROESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029800 635309586 /nfs/dbraw/zinc/30/95/86/635309586.db2.gz MDJCRPKQWYRKNX-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000839477 635318600 /nfs/dbraw/zinc/31/86/00/635318600.db2.gz FETRNRXWHRRQTL-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001000839477 635318606 /nfs/dbraw/zinc/31/86/06/635318606.db2.gz FETRNRXWHRRQTL-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001000839477 635318611 /nfs/dbraw/zinc/31/86/11/635318611.db2.gz FETRNRXWHRRQTL-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981147568 635332391 /nfs/dbraw/zinc/33/23/91/635332391.db2.gz VFIYEYWOXOHAOM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147568 635332393 /nfs/dbraw/zinc/33/23/93/635332393.db2.gz VFIYEYWOXOHAOM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147568 635332396 /nfs/dbraw/zinc/33/23/96/635332396.db2.gz VFIYEYWOXOHAOM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001116467 635409744 /nfs/dbraw/zinc/40/97/44/635409744.db2.gz BOZNWZZSMXKPGG-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324652 635439972 /nfs/dbraw/zinc/43/99/72/635439972.db2.gz RFVVQZKGOYUONH-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324652 635439974 /nfs/dbraw/zinc/43/99/74/635439974.db2.gz RFVVQZKGOYUONH-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324652 635439977 /nfs/dbraw/zinc/43/99/77/635439977.db2.gz RFVVQZKGOYUONH-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001251346 635441027 /nfs/dbraw/zinc/44/10/27/635441027.db2.gz DPIOUVGZZMOYRK-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001251346 635441033 /nfs/dbraw/zinc/44/10/33/635441033.db2.gz DPIOUVGZZMOYRK-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001251346 635441037 /nfs/dbraw/zinc/44/10/37/635441037.db2.gz DPIOUVGZZMOYRK-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372269 635481622 /nfs/dbraw/zinc/48/16/22/635481622.db2.gz SFVHENNCHVLNOS-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001001471969 635504447 /nfs/dbraw/zinc/50/44/47/635504447.db2.gz PMJOBJMEXQFMJK-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001471969 635504450 /nfs/dbraw/zinc/50/44/50/635504450.db2.gz PMJOBJMEXQFMJK-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001471969 635504453 /nfs/dbraw/zinc/50/44/53/635504453.db2.gz PMJOBJMEXQFMJK-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001758276 635550256 /nfs/dbraw/zinc/55/02/56/635550256.db2.gz AZDZZVBLCIGWNF-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC000982042284 635841723 /nfs/dbraw/zinc/84/17/23/635841723.db2.gz KRDGTCGAQODKBW-MRXNPFEDSA-N 2 1 316.449 2.335 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116039 635875706 /nfs/dbraw/zinc/87/57/06/635875706.db2.gz FHRGCOPTJDLWSJ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003009797 635883882 /nfs/dbraw/zinc/88/38/82/635883882.db2.gz BLEGVHCRIYVLGC-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553860 636262031 /nfs/dbraw/zinc/26/20/31/636262031.db2.gz RCLYXEZGWAUVJH-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553860 636262035 /nfs/dbraw/zinc/26/20/35/636262035.db2.gz RCLYXEZGWAUVJH-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553860 636262041 /nfs/dbraw/zinc/26/20/41/636262041.db2.gz RCLYXEZGWAUVJH-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004539997 636485932 /nfs/dbraw/zinc/48/59/32/636485932.db2.gz AOOFCWYCGFSWDD-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001004624999 636501566 /nfs/dbraw/zinc/50/15/66/636501566.db2.gz NETXCRQXUNETEK-QGZVFWFLSA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658899 636568029 /nfs/dbraw/zinc/56/80/29/636568029.db2.gz JDLNMYMGFBBKEN-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334070 637121147 /nfs/dbraw/zinc/12/11/47/637121147.db2.gz AOMCTMQHGLFVQH-QZTJIDSGSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334070 637121152 /nfs/dbraw/zinc/12/11/52/637121152.db2.gz AOMCTMQHGLFVQH-QZTJIDSGSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083638 637181455 /nfs/dbraw/zinc/18/14/55/637181455.db2.gz LGLPSGLZSUWQKQ-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000985801565 639643682 /nfs/dbraw/zinc/64/36/82/639643682.db2.gz HAVCTOJTRXDYGY-HOTGVXAUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956115 640024349 /nfs/dbraw/zinc/02/43/49/640024349.db2.gz JUEYZZHTDUFHEG-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000763943186 640587505 /nfs/dbraw/zinc/58/75/05/640587505.db2.gz KRRWKLUUAXTRLV-OAHLLOKOSA-N 2 1 309.841 2.177 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000327965100 640883522 /nfs/dbraw/zinc/88/35/22/640883522.db2.gz DONBPRAYYHJNRV-UHFFFAOYSA-N 2 1 312.360 2.341 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000327965100 640883523 /nfs/dbraw/zinc/88/35/23/640883523.db2.gz DONBPRAYYHJNRV-UHFFFAOYSA-N 2 1 312.360 2.341 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989732083 641209976 /nfs/dbraw/zinc/20/99/76/641209976.db2.gz AXQIZNKIUKMMAI-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990694023 641607188 /nfs/dbraw/zinc/60/71/88/641607188.db2.gz ZOWYOPIPQNHAFZ-YQVWRLOYSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000900867663 642507698 /nfs/dbraw/zinc/50/76/98/642507698.db2.gz BBXBIFSARPUPFD-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000907952919 644699484 /nfs/dbraw/zinc/69/94/84/644699484.db2.gz GTCJLLGEJHIAKX-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948760329 646610739 /nfs/dbraw/zinc/61/07/39/646610739.db2.gz ZAPHEDNZCZLZDY-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948760329 646610742 /nfs/dbraw/zinc/61/07/42/646610742.db2.gz ZAPHEDNZCZLZDY-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993480603 647684000 /nfs/dbraw/zinc/68/40/00/647684000.db2.gz QGLRGGBQAJTCQH-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535334 647692160 /nfs/dbraw/zinc/69/21/60/647692160.db2.gz JDAVXNCCZUPCPD-RHSMWYFYSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805956 647747114 /nfs/dbraw/zinc/74/71/14/647747114.db2.gz NTQVHQZRTAYNAF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805956 647747116 /nfs/dbraw/zinc/74/71/16/647747116.db2.gz NTQVHQZRTAYNAF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805956 647747117 /nfs/dbraw/zinc/74/71/17/647747117.db2.gz NTQVHQZRTAYNAF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994425339 647946448 /nfs/dbraw/zinc/94/64/48/647946448.db2.gz SBLDJNUWVKJUBN-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994425339 647946450 /nfs/dbraw/zinc/94/64/50/647946450.db2.gz SBLDJNUWVKJUBN-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798304 648948230 /nfs/dbraw/zinc/94/82/30/648948230.db2.gz GDGZXDPYKILBEQ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798304 648948231 /nfs/dbraw/zinc/94/82/31/648948231.db2.gz GDGZXDPYKILBEQ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798304 648948232 /nfs/dbraw/zinc/94/82/32/648948232.db2.gz GDGZXDPYKILBEQ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867910 648958458 /nfs/dbraw/zinc/95/84/58/648958458.db2.gz NOUVEQTXISUJKR-KRWDZBQOSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027312 648988869 /nfs/dbraw/zinc/98/88/69/648988869.db2.gz VFKUNFJZYAWHGB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027312 648988874 /nfs/dbraw/zinc/98/88/74/648988874.db2.gz VFKUNFJZYAWHGB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027312 648988878 /nfs/dbraw/zinc/98/88/78/648988878.db2.gz VFKUNFJZYAWHGB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941162929 649011430 /nfs/dbraw/zinc/01/14/30/649011430.db2.gz CEBVAZOHGODEAK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162929 649011432 /nfs/dbraw/zinc/01/14/32/649011432.db2.gz CEBVAZOHGODEAK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162929 649011436 /nfs/dbraw/zinc/01/14/36/649011436.db2.gz CEBVAZOHGODEAK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942054568 649145731 /nfs/dbraw/zinc/14/57/31/649145731.db2.gz XLVZUMUUJQXHJT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435985 649207402 /nfs/dbraw/zinc/20/74/02/649207402.db2.gz QREILWNQWLNECG-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435985 649207405 /nfs/dbraw/zinc/20/74/05/649207405.db2.gz QREILWNQWLNECG-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435985 649207409 /nfs/dbraw/zinc/20/74/09/649207409.db2.gz QREILWNQWLNECG-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943287911 649359216 /nfs/dbraw/zinc/35/92/16/649359216.db2.gz LHEGBGVNSOQULE-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943287911 649359218 /nfs/dbraw/zinc/35/92/18/649359218.db2.gz LHEGBGVNSOQULE-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000848553066 651469992 /nfs/dbraw/zinc/46/99/92/651469992.db2.gz IDTBKLBITSEAAS-GOSISDBHSA-N 2 1 314.429 2.042 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000304764028 685260797 /nfs/dbraw/zinc/26/07/97/685260797.db2.gz XLARDARTSLFJBY-JKSUJKDBSA-N 2 1 318.465 2.151 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099464 693844179 /nfs/dbraw/zinc/84/41/79/693844179.db2.gz IWAKHCQZUIJUCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099464 693844183 /nfs/dbraw/zinc/84/41/83/693844183.db2.gz IWAKHCQZUIJUCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099464 693844188 /nfs/dbraw/zinc/84/41/88/693844188.db2.gz IWAKHCQZUIJUCE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145396 693861921 /nfs/dbraw/zinc/86/19/21/693861921.db2.gz OSTYHSYACXUEJS-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145396 693861923 /nfs/dbraw/zinc/86/19/23/693861923.db2.gz OSTYHSYACXUEJS-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145396 693861926 /nfs/dbraw/zinc/86/19/26/693861926.db2.gz OSTYHSYACXUEJS-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153607 693864948 /nfs/dbraw/zinc/86/49/48/693864948.db2.gz UXZQHTQXCQCWAC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153607 693864952 /nfs/dbraw/zinc/86/49/52/693864952.db2.gz UXZQHTQXCQCWAC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153607 693864954 /nfs/dbraw/zinc/86/49/54/693864954.db2.gz UXZQHTQXCQCWAC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153604 693865289 /nfs/dbraw/zinc/86/52/89/693865289.db2.gz UXZQHTQXCQCWAC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153604 693865290 /nfs/dbraw/zinc/86/52/90/693865290.db2.gz UXZQHTQXCQCWAC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153604 693865291 /nfs/dbraw/zinc/86/52/91/693865291.db2.gz UXZQHTQXCQCWAC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196763 693877256 /nfs/dbraw/zinc/87/72/56/693877256.db2.gz MOCNNVXECSJGTR-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197940 693879327 /nfs/dbraw/zinc/87/93/27/693879327.db2.gz LZXYETNYJREAPQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197940 693879329 /nfs/dbraw/zinc/87/93/29/693879329.db2.gz LZXYETNYJREAPQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197940 693879331 /nfs/dbraw/zinc/87/93/31/693879331.db2.gz LZXYETNYJREAPQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219078 693888062 /nfs/dbraw/zinc/88/80/62/693888062.db2.gz GLROOMMICXTVMZ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP CC[C@@H](CNC(=[NH2+])NCC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000303900110 685239194 /nfs/dbraw/zinc/23/91/94/685239194.db2.gz RZHVVOFCMYPYKG-KRWDZBQOSA-N 2 1 302.466 2.384 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303893921 685239257 /nfs/dbraw/zinc/23/92/57/685239257.db2.gz SFYZGSFPNIJWTJ-HOTGVXAUSA-N 2 1 314.477 2.480 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303893921 685239262 /nfs/dbraw/zinc/23/92/62/685239262.db2.gz SFYZGSFPNIJWTJ-HOTGVXAUSA-N 2 1 314.477 2.480 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054826557 694054887 /nfs/dbraw/zinc/05/48/87/694054887.db2.gz MPPFFESWVYUMRU-GDBMZVCRSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631538 687669401 /nfs/dbraw/zinc/66/94/01/687669401.db2.gz UGIJSMXMXUONNI-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651653 687674709 /nfs/dbraw/zinc/67/47/09/687674709.db2.gz JRRLNSQDVDUKSP-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016700101 687685058 /nfs/dbraw/zinc/68/50/58/687685058.db2.gz BQHNZRGRPIUVJA-IAGOWNOFSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828191 687711466 /nfs/dbraw/zinc/71/14/66/687711466.db2.gz DLOTVFPLKGBYDT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001016949145 687741310 /nfs/dbraw/zinc/74/13/10/687741310.db2.gz AZUKWHBJVKMOGP-APWZRJJASA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001017553599 687910958 /nfs/dbraw/zinc/91/09/58/687910958.db2.gz NWIMFFLUMHMZCH-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017553599 687910960 /nfs/dbraw/zinc/91/09/60/687910960.db2.gz NWIMFFLUMHMZCH-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017553599 687910964 /nfs/dbraw/zinc/91/09/64/687910964.db2.gz NWIMFFLUMHMZCH-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000930556127 694188693 /nfs/dbraw/zinc/18/86/93/694188693.db2.gz SECZEENCLOXQDZ-IBGZPJMESA-N 2 1 311.429 2.024 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000930556127 694188696 /nfs/dbraw/zinc/18/86/96/694188696.db2.gz SECZEENCLOXQDZ-IBGZPJMESA-N 2 1 311.429 2.024 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000930556127 694188699 /nfs/dbraw/zinc/18/86/99/694188699.db2.gz SECZEENCLOXQDZ-IBGZPJMESA-N 2 1 311.429 2.024 20 30 DEEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030315178 688663781 /nfs/dbraw/zinc/66/37/81/688663781.db2.gz PQTSXGZKEVNFPK-HNNXBMFYSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030315178 688663783 /nfs/dbraw/zinc/66/37/83/688663783.db2.gz PQTSXGZKEVNFPK-HNNXBMFYSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157759 688941347 /nfs/dbraw/zinc/94/13/47/688941347.db2.gz QUMDZWRPPYEUBC-SZMVWBNQSA-N 2 1 319.493 2.393 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872250103 688964263 /nfs/dbraw/zinc/96/42/63/688964263.db2.gz CRZCFKGOYOZPOP-MISYRCLQSA-N 2 1 312.457 2.405 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872250103 688964265 /nfs/dbraw/zinc/96/42/65/688964265.db2.gz CRZCFKGOYOZPOP-MISYRCLQSA-N 2 1 312.457 2.405 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470657 689513873 /nfs/dbraw/zinc/51/38/73/689513873.db2.gz BYKXTXCPIVKIMN-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470657 689513874 /nfs/dbraw/zinc/51/38/74/689513874.db2.gz BYKXTXCPIVKIMN-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470657 689513876 /nfs/dbraw/zinc/51/38/76/689513876.db2.gz BYKXTXCPIVKIMN-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033684684 689583416 /nfs/dbraw/zinc/58/34/16/689583416.db2.gz HGAJTNDFMHOIDA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033684684 689583418 /nfs/dbraw/zinc/58/34/18/689583418.db2.gz HGAJTNDFMHOIDA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033684684 689583419 /nfs/dbraw/zinc/58/34/19/689583419.db2.gz HGAJTNDFMHOIDA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825587 689627793 /nfs/dbraw/zinc/62/77/93/689627793.db2.gz FPPNHQBFHDUGDJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825587 689627797 /nfs/dbraw/zinc/62/77/97/689627797.db2.gz FPPNHQBFHDUGDJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825587 689627800 /nfs/dbraw/zinc/62/78/00/689627800.db2.gz FPPNHQBFHDUGDJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825982 689628331 /nfs/dbraw/zinc/62/83/31/689628331.db2.gz LCIKDDMSHFBBPX-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825982 689628333 /nfs/dbraw/zinc/62/83/33/689628333.db2.gz LCIKDDMSHFBBPX-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825982 689628337 /nfs/dbraw/zinc/62/83/37/689628337.db2.gz LCIKDDMSHFBBPX-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830431 689630137 /nfs/dbraw/zinc/63/01/37/689630137.db2.gz IEKJDOCQILSWLN-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331941 689812841 /nfs/dbraw/zinc/81/28/41/689812841.db2.gz WBVSBYZHJGVPKX-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433889 689848553 /nfs/dbraw/zinc/84/85/53/689848553.db2.gz HVHLKVQEMJECKO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433889 689848556 /nfs/dbraw/zinc/84/85/56/689848556.db2.gz HVHLKVQEMJECKO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433889 689848558 /nfs/dbraw/zinc/84/85/58/689848558.db2.gz HVHLKVQEMJECKO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433888 689848633 /nfs/dbraw/zinc/84/86/33/689848633.db2.gz HVHLKVQEMJECKO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433888 689848635 /nfs/dbraw/zinc/84/86/35/689848635.db2.gz HVHLKVQEMJECKO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433888 689848638 /nfs/dbraw/zinc/84/86/38/689848638.db2.gz HVHLKVQEMJECKO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034440031 689851258 /nfs/dbraw/zinc/85/12/58/689851258.db2.gz YMKJUUDKZRXKIW-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440031 689851261 /nfs/dbraw/zinc/85/12/61/689851261.db2.gz YMKJUUDKZRXKIW-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440031 689851265 /nfs/dbraw/zinc/85/12/65/689851265.db2.gz YMKJUUDKZRXKIW-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486563 689869574 /nfs/dbraw/zinc/86/95/74/689869574.db2.gz BGXRHKIQJSPJPC-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486563 689869576 /nfs/dbraw/zinc/86/95/76/689869576.db2.gz BGXRHKIQJSPJPC-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486563 689869578 /nfs/dbraw/zinc/86/95/78/689869578.db2.gz BGXRHKIQJSPJPC-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642532 689917159 /nfs/dbraw/zinc/91/71/59/689917159.db2.gz GPEUMMBOOMMYOJ-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000876737506 689922290 /nfs/dbraw/zinc/92/22/90/689922290.db2.gz RWKNWMPZWBJGAM-WCQYABFASA-N 2 1 301.862 2.083 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000876740347 689922645 /nfs/dbraw/zinc/92/26/45/689922645.db2.gz LTCQWBBZOOHOKU-KGLIPLIRSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035226201 690065456 /nfs/dbraw/zinc/06/54/56/690065456.db2.gz DVJDSYUFJWJUSI-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035226201 690065458 /nfs/dbraw/zinc/06/54/58/690065458.db2.gz DVJDSYUFJWJUSI-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035226201 690065459 /nfs/dbraw/zinc/06/54/59/690065459.db2.gz DVJDSYUFJWJUSI-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035257285 690076037 /nfs/dbraw/zinc/07/60/37/690076037.db2.gz VUPIAQWMGSLAGB-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036206464 690290975 /nfs/dbraw/zinc/29/09/75/690290975.db2.gz JXAVYEQCJWCJFY-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038443127 690824546 /nfs/dbraw/zinc/82/45/46/690824546.db2.gz GEILTDUDIMYRIB-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443127 690824549 /nfs/dbraw/zinc/82/45/49/690824549.db2.gz GEILTDUDIMYRIB-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443127 690824551 /nfs/dbraw/zinc/82/45/51/690824551.db2.gz GEILTDUDIMYRIB-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116966 691023902 /nfs/dbraw/zinc/02/39/02/691023902.db2.gz UWCCTKSKPBMUAS-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116966 691023903 /nfs/dbraw/zinc/02/39/03/691023903.db2.gz UWCCTKSKPBMUAS-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039278837 691073721 /nfs/dbraw/zinc/07/37/21/691073721.db2.gz CGLQJOFFQOJASV-HMQMGEFJSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327432 691230935 /nfs/dbraw/zinc/23/09/35/691230935.db2.gz FQYZQZOHDATSHC-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242464 /nfs/dbraw/zinc/24/24/64/691242464.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242466 /nfs/dbraw/zinc/24/24/66/691242466.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395887 691242468 /nfs/dbraw/zinc/24/24/68/691242468.db2.gz RCFWFNRYSRUTHN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530652 691261574 /nfs/dbraw/zinc/26/15/74/691261574.db2.gz FSLJJVZAZZAAOU-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530652 691261577 /nfs/dbraw/zinc/26/15/77/691261577.db2.gz FSLJJVZAZZAAOU-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040707868 691281448 /nfs/dbraw/zinc/28/14/48/691281448.db2.gz KIJRXMJOXLGKNY-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275606 691354142 /nfs/dbraw/zinc/35/41/42/691354142.db2.gz GBJQCGNZBIJDBT-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275606 691354143 /nfs/dbraw/zinc/35/41/43/691354143.db2.gz GBJQCGNZBIJDBT-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275606 691354147 /nfs/dbraw/zinc/35/41/47/691354147.db2.gz GBJQCGNZBIJDBT-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000883131927 691436527 /nfs/dbraw/zinc/43/65/27/691436527.db2.gz ZDRWMHFUQMOSPF-LJQANCHMSA-N 2 1 316.445 2.289 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000883131927 691436530 /nfs/dbraw/zinc/43/65/30/691436530.db2.gz ZDRWMHFUQMOSPF-LJQANCHMSA-N 2 1 316.445 2.289 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042134277 691517090 /nfs/dbraw/zinc/51/70/90/691517090.db2.gz OEMTXMKCNQHYBA-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156060 691524625 /nfs/dbraw/zinc/52/46/25/691524625.db2.gz GKBGHXLZFHINNG-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445035 691981984 /nfs/dbraw/zinc/98/19/84/691981984.db2.gz PYJBMWRSVPZKST-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045445035 691981985 /nfs/dbraw/zinc/98/19/85/691981985.db2.gz PYJBMWRSVPZKST-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962069 692062805 /nfs/dbraw/zinc/06/28/05/692062805.db2.gz FKQBMVSMZIABTI-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046368639 692167075 /nfs/dbraw/zinc/16/70/75/692167075.db2.gz FTVJDTYWSIOYRE-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368639 692167080 /nfs/dbraw/zinc/16/70/80/692167080.db2.gz FTVJDTYWSIOYRE-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368639 692167083 /nfs/dbraw/zinc/16/70/83/692167083.db2.gz FTVJDTYWSIOYRE-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561661 692224208 /nfs/dbraw/zinc/22/42/08/692224208.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561661 692224212 /nfs/dbraw/zinc/22/42/12/692224212.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561661 692224215 /nfs/dbraw/zinc/22/42/15/692224215.db2.gz JAOBVZDQFAIFNJ-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000887136480 692289045 /nfs/dbraw/zinc/28/90/45/692289045.db2.gz UZKDEVFBNYVBDB-RDJZCZTQSA-N 2 1 314.433 2.037 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263829 692404684 /nfs/dbraw/zinc/40/46/84/692404684.db2.gz DEXCLEOTFMSEIR-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527816 692640481 /nfs/dbraw/zinc/64/04/81/692640481.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527816 692640484 /nfs/dbraw/zinc/64/04/84/692640484.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048527816 692640486 /nfs/dbraw/zinc/64/04/86/692640486.db2.gz WEWSXIBDLLZJSF-MHORFTMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562665 692648356 /nfs/dbraw/zinc/64/83/56/692648356.db2.gz QBFOLAHISXCNDE-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562665 692648358 /nfs/dbraw/zinc/64/83/58/692648358.db2.gz QBFOLAHISXCNDE-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562665 692648360 /nfs/dbraw/zinc/64/83/60/692648360.db2.gz QBFOLAHISXCNDE-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048590671 692655695 /nfs/dbraw/zinc/65/56/95/692655695.db2.gz VUIXGMOYJPZGJR-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590671 692655697 /nfs/dbraw/zinc/65/56/97/692655697.db2.gz VUIXGMOYJPZGJR-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590671 692655699 /nfs/dbraw/zinc/65/56/99/692655699.db2.gz VUIXGMOYJPZGJR-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545797 692917619 /nfs/dbraw/zinc/91/76/19/692917619.db2.gz MVEBFTRDMAIPNF-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841639 693018255 /nfs/dbraw/zinc/01/82/55/693018255.db2.gz SYKYFNYNCHFMGE-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841639 693018258 /nfs/dbraw/zinc/01/82/58/693018258.db2.gz SYKYFNYNCHFMGE-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841639 693018259 /nfs/dbraw/zinc/01/82/59/693018259.db2.gz SYKYFNYNCHFMGE-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664654 693227693 /nfs/dbraw/zinc/22/76/93/693227693.db2.gz PJAMVQCFOHAGPQ-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001050694825 693233779 /nfs/dbraw/zinc/23/37/79/693233779.db2.gz LKBMCQNWICPINA-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc(C#N)c1 ZINC000925845896 693352132 /nfs/dbraw/zinc/35/21/32/693352132.db2.gz SDZGIOHVFSOBRX-MRXNPFEDSA-N 2 1 300.450 2.284 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425937 693532095 /nfs/dbraw/zinc/53/20/95/693532095.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425937 693532097 /nfs/dbraw/zinc/53/20/97/693532097.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425937 693532101 /nfs/dbraw/zinc/53/21/01/693532101.db2.gz HQQXFGGEJJQSHF-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439353 693534913 /nfs/dbraw/zinc/53/49/13/693534913.db2.gz LLCPTYRWNWIBQT-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439353 693534917 /nfs/dbraw/zinc/53/49/17/693534917.db2.gz LLCPTYRWNWIBQT-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651858 693588987 /nfs/dbraw/zinc/58/89/87/693588987.db2.gz NVIFSNOHCRUWQY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651858 693588990 /nfs/dbraw/zinc/58/89/90/693588990.db2.gz NVIFSNOHCRUWQY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651858 693588992 /nfs/dbraw/zinc/58/89/92/693588992.db2.gz NVIFSNOHCRUWQY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658386 693590095 /nfs/dbraw/zinc/59/00/95/693590095.db2.gz MFKXJJXBYKHIAW-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658386 693590097 /nfs/dbraw/zinc/59/00/97/693590097.db2.gz MFKXJJXBYKHIAW-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658386 693590099 /nfs/dbraw/zinc/59/00/99/693590099.db2.gz MFKXJJXBYKHIAW-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676474 693593184 /nfs/dbraw/zinc/59/31/84/693593184.db2.gz HCSCCXZJENNXFX-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001382084184 1153351197 /nfs/dbraw/zinc/35/11/97/1153351197.db2.gz CCDOQHKGGIGWAR-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001391239243 1156277169 /nfs/dbraw/zinc/27/71/69/1156277169.db2.gz AQAAKKKKSNBUFC-CVEARBPZSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001391239243 1156277176 /nfs/dbraw/zinc/27/71/76/1156277176.db2.gz AQAAKKKKSNBUFC-CVEARBPZSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001403271843 1162833424 /nfs/dbraw/zinc/83/34/24/1162833424.db2.gz WMXRZYFVWCYUAT-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001373961283 1157498205 /nfs/dbraw/zinc/49/82/05/1157498205.db2.gz YOUMMEXCHPUHKR-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)CN(CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001377553641 1160540268 /nfs/dbraw/zinc/54/02/68/1160540268.db2.gz LDXWXJBKQBEVJJ-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001401832086 1162148247 /nfs/dbraw/zinc/14/82/47/1162148247.db2.gz USPAOCSCFUQWMM-GJZGRUSLSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420129175 1169181501 /nfs/dbraw/zinc/18/15/01/1169181501.db2.gz FORHWARMBKRWTN-CYBMUJFWSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001421281082 1171667150 /nfs/dbraw/zinc/66/71/50/1171667150.db2.gz KBVZZEJJBZCIJM-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)CN1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001423578564 1173424361 /nfs/dbraw/zinc/42/43/61/1173424361.db2.gz JQYFFIFLJXXQDQ-MRXNPFEDSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001437927785 1180086387 /nfs/dbraw/zinc/08/63/87/1180086387.db2.gz GQXGGHRIZJMGNF-CABCVRRESA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001440394359 1181478301 /nfs/dbraw/zinc/47/83/01/1181478301.db2.gz DWOZFRZDUHOIGM-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001440394359 1181478311 /nfs/dbraw/zinc/47/83/11/1181478311.db2.gz DWOZFRZDUHOIGM-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001440394359 1181478318 /nfs/dbraw/zinc/47/83/18/1181478318.db2.gz DWOZFRZDUHOIGM-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001441034028 1181832016 /nfs/dbraw/zinc/83/20/16/1181832016.db2.gz KBCUHHBLNZLRJY-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001441096007 1181846220 /nfs/dbraw/zinc/84/62/20/1181846220.db2.gz ZLPFRXRPRXVELB-GJZGRUSLSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332012958 1149808118 /nfs/dbraw/zinc/80/81/18/1149808118.db2.gz HHTSILRSBBYXEU-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850497 790273339 /nfs/dbraw/zinc/27/33/39/790273339.db2.gz ZWRGCEQQFYWAAJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072850497 790273342 /nfs/dbraw/zinc/27/33/42/790273342.db2.gz ZWRGCEQQFYWAAJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072850497 790273347 /nfs/dbraw/zinc/27/33/47/790273347.db2.gz ZWRGCEQQFYWAAJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221220 1149837472 /nfs/dbraw/zinc/83/74/72/1149837472.db2.gz WZZYUCNBWYAKJT-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001332907151 1149921491 /nfs/dbraw/zinc/92/14/91/1149921491.db2.gz GPGQYXXGMSHGSD-QGZVFWFLSA-N 2 1 317.477 2.425 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC001332907151 1149921500 /nfs/dbraw/zinc/92/15/00/1149921500.db2.gz GPGQYXXGMSHGSD-QGZVFWFLSA-N 2 1 317.477 2.425 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225190 782701824 /nfs/dbraw/zinc/70/18/24/782701824.db2.gz OALOJFDSRKUSCM-IAGOWNOFSA-N 2 1 321.509 2.203 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484481 783150291 /nfs/dbraw/zinc/15/02/91/783150291.db2.gz XOTUVBQJRQUJHL-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454389 790665687 /nfs/dbraw/zinc/66/56/87/790665687.db2.gz LMBOESUBOCKEGU-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150851 779730550 /nfs/dbraw/zinc/73/05/50/779730550.db2.gz ZZBGIZDZKUCPOZ-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323398 779951929 /nfs/dbraw/zinc/95/19/29/779951929.db2.gz NDIWDDHPTYCXGA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327232 779959168 /nfs/dbraw/zinc/95/91/68/779959168.db2.gz IKPYCKULHOTTSY-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088381247 780050104 /nfs/dbraw/zinc/05/01/04/780050104.db2.gz AIWNVOFMUISSMU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908661 783265420 /nfs/dbraw/zinc/26/54/20/783265420.db2.gz URMKDRXJQMGDQX-CRAIPNDOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C[C@H]1C ZINC000947941212 783274625 /nfs/dbraw/zinc/27/46/25/783274625.db2.gz ZGHHGPXAQJIKGQ-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941212 783274634 /nfs/dbraw/zinc/27/46/34/783274634.db2.gz ZGHHGPXAQJIKGQ-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941212 783274643 /nfs/dbraw/zinc/27/46/43/783274643.db2.gz ZGHHGPXAQJIKGQ-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089690055 783355113 /nfs/dbraw/zinc/35/51/13/783355113.db2.gz KOAMPAHOKBQOFX-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364330 783439741 /nfs/dbraw/zinc/43/97/41/783439741.db2.gz DLPNQCUXQSFNHF-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364330 783439745 /nfs/dbraw/zinc/43/97/45/783439745.db2.gz DLPNQCUXQSFNHF-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364330 783439748 /nfs/dbraw/zinc/43/97/48/783439748.db2.gz DLPNQCUXQSFNHF-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439517 783465663 /nfs/dbraw/zinc/46/56/63/783465663.db2.gz QWBYEMYQXONFIU-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439517 783465673 /nfs/dbraw/zinc/46/56/73/783465673.db2.gz QWBYEMYQXONFIU-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647178 783548985 /nfs/dbraw/zinc/54/89/85/783548985.db2.gz FHQIOKDGZNTWST-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629052 783905334 /nfs/dbraw/zinc/90/53/34/783905334.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085629052 783905337 /nfs/dbraw/zinc/90/53/37/783905337.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085629052 783905343 /nfs/dbraw/zinc/90/53/43/783905343.db2.gz KRVKCCNSHSYSKC-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001114922257 784491789 /nfs/dbraw/zinc/49/17/89/784491789.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001114922257 784491791 /nfs/dbraw/zinc/49/17/91/784491791.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001114922257 784491796 /nfs/dbraw/zinc/49/17/96/784491796.db2.gz VVZGGZONONJEKM-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968857083 784620559 /nfs/dbraw/zinc/62/05/59/784620559.db2.gz SLTOKWYLGGMSMK-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863771 784625402 /nfs/dbraw/zinc/62/54/02/784625402.db2.gz KPKHAMNJVCEXQB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863771 784625411 /nfs/dbraw/zinc/62/54/11/784625411.db2.gz KPKHAMNJVCEXQB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863771 784625416 /nfs/dbraw/zinc/62/54/16/784625416.db2.gz KPKHAMNJVCEXQB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882751 784635797 /nfs/dbraw/zinc/63/57/97/784635797.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882751 784635801 /nfs/dbraw/zinc/63/58/01/784635801.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882751 784635807 /nfs/dbraw/zinc/63/58/07/784635807.db2.gz TYSOAXHPPYNLHO-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933958 784658010 /nfs/dbraw/zinc/65/80/10/784658010.db2.gz ISCZOVMDLOMXOO-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832792 785559231 /nfs/dbraw/zinc/55/92/31/785559231.db2.gz YGTIZTOAXRHTSO-ULQDDVLXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248398 791123564 /nfs/dbraw/zinc/12/35/64/791123564.db2.gz UJBASUXJWDSKLU-GJZGRUSLSA-N 2 1 304.438 2.211 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386085 785840877 /nfs/dbraw/zinc/84/08/77/785840877.db2.gz LPKBXTXPFIABOA-PMPSAXMXSA-N 2 1 302.422 2.030 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386085 785840882 /nfs/dbraw/zinc/84/08/82/785840882.db2.gz LPKBXTXPFIABOA-PMPSAXMXSA-N 2 1 302.422 2.030 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007026 786127513 /nfs/dbraw/zinc/12/75/13/786127513.db2.gz FBMHVJRANIMJBM-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019533 786369083 /nfs/dbraw/zinc/36/90/83/786369083.db2.gz SHBHGONGKDYEGW-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019533 786369088 /nfs/dbraw/zinc/36/90/88/786369088.db2.gz SHBHGONGKDYEGW-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682929 786758256 /nfs/dbraw/zinc/75/82/56/786758256.db2.gz YRHDZWFWSBMBGS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCc1cc(C)c[nH+]c1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170274545 786884395 /nfs/dbraw/zinc/88/43/95/786884395.db2.gz YVYIQWLEVYQKCR-BFYDXBDKSA-N 2 1 305.422 2.255 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129423755 787211173 /nfs/dbraw/zinc/21/11/73/787211173.db2.gz WYMKGWCRTFBMAE-HNNXBMFYSA-N 2 1 304.438 2.213 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405391 788097441 /nfs/dbraw/zinc/09/74/41/788097441.db2.gz MXTVNDKVLFBZED-NCOADZHNSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405391 788097449 /nfs/dbraw/zinc/09/74/49/788097449.db2.gz MXTVNDKVLFBZED-NCOADZHNSA-N 2 1 305.466 2.014 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493961 788104748 /nfs/dbraw/zinc/10/47/48/788104748.db2.gz OIMKDCOQLPPVBE-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263581 788340263 /nfs/dbraw/zinc/34/02/63/788340263.db2.gz XUZSAUAPLAMUMI-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608680 789003362 /nfs/dbraw/zinc/00/33/62/789003362.db2.gz YZJVZLQLCMQWBL-OLZOCXBDSA-N 2 1 301.862 2.096 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629278 789827349 /nfs/dbraw/zinc/82/73/49/789827349.db2.gz XLSWBWFXIQBIQA-HOCLYGCPSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161037481 791512880 /nfs/dbraw/zinc/51/28/80/791512880.db2.gz YYGOSACMVQSSKI-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846446 791960916 /nfs/dbraw/zinc/96/09/16/791960916.db2.gz JPVCBLVIXZSBGU-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846446 791960926 /nfs/dbraw/zinc/96/09/26/791960926.db2.gz JPVCBLVIXZSBGU-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846446 791960935 /nfs/dbraw/zinc/96/09/35/791960935.db2.gz JPVCBLVIXZSBGU-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099063179 792068902 /nfs/dbraw/zinc/06/89/02/792068902.db2.gz SHBYUNSHBHNXHR-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110537 792099966 /nfs/dbraw/zinc/09/99/66/792099966.db2.gz FWYOGBLSFJKYFQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110537 792099972 /nfs/dbraw/zinc/09/99/72/792099972.db2.gz FWYOGBLSFJKYFQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110537 792099983 /nfs/dbraw/zinc/09/99/83/792099983.db2.gz FWYOGBLSFJKYFQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093226114 792295785 /nfs/dbraw/zinc/29/57/85/792295785.db2.gz VLXZAPAIOWRASW-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226114 792295794 /nfs/dbraw/zinc/29/57/94/792295794.db2.gz VLXZAPAIOWRASW-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226114 792295804 /nfs/dbraw/zinc/29/58/04/792295804.db2.gz VLXZAPAIOWRASW-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185477 792506788 /nfs/dbraw/zinc/50/67/88/792506788.db2.gz BYFJEORXSPNVFO-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320853 792589803 /nfs/dbraw/zinc/58/98/03/792589803.db2.gz VRWNMNQBHCTJBZ-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100536251 792709883 /nfs/dbraw/zinc/70/98/83/792709883.db2.gz QWBDBFWFHODUGC-UHFFFAOYSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758028 792828891 /nfs/dbraw/zinc/82/88/91/792828891.db2.gz SWCKCWIMEMUPNZ-UHFFFAOYSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094459481 792934040 /nfs/dbraw/zinc/93/40/40/792934040.db2.gz MLINTMNGGVTGED-SJLPKXTDSA-N 2 1 317.477 2.162 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065545 792999373 /nfs/dbraw/zinc/99/93/73/792999373.db2.gz WXYVBCPWNARWRQ-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065545 792999381 /nfs/dbraw/zinc/99/93/81/792999381.db2.gz WXYVBCPWNARWRQ-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161666 793055048 /nfs/dbraw/zinc/05/50/48/793055048.db2.gz OVYLXZXWQFJYJD-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268481 793090253 /nfs/dbraw/zinc/09/02/53/793090253.db2.gz CVIQLVUPERHLEY-APWZRJJASA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368774 793135366 /nfs/dbraw/zinc/13/53/66/793135366.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368774 793135372 /nfs/dbraw/zinc/13/53/72/793135372.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368774 793135380 /nfs/dbraw/zinc/13/53/80/793135380.db2.gz MQJPKIZVFQFUKN-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646064 793157961 /nfs/dbraw/zinc/15/79/61/793157961.db2.gz IBGNMGAXUXRMQP-QZTJIDSGSA-N 2 1 321.509 2.395 20 30 DEEDMP C[C@H](CCCC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172495069 793437688 /nfs/dbraw/zinc/43/76/88/793437688.db2.gz MLZJPSADRZCJIA-MRXNPFEDSA-N 2 1 315.465 2.419 20 30 DEEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCC(CC#N)CC1 ZINC001173335777 793681778 /nfs/dbraw/zinc/68/17/78/793681778.db2.gz XYCGNEGNRQUORP-ZGUYJTEBSA-N 2 1 304.482 2.169 20 30 DEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544390 794139736 /nfs/dbraw/zinc/13/97/36/794139736.db2.gz NXMYNQFUUXZGGV-KURKYZTESA-N 2 1 321.509 2.060 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273780 794165394 /nfs/dbraw/zinc/16/53/94/794165394.db2.gz WCACFFNHGBVIAA-INIZCTEOSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757226 794213354 /nfs/dbraw/zinc/21/33/54/794213354.db2.gz RPXLBPSNAIMHJS-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175573944 794244869 /nfs/dbraw/zinc/24/48/69/794244869.db2.gz RPSUSQCUGYEMLS-IAGOWNOFSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104212662 794427699 /nfs/dbraw/zinc/42/76/99/794427699.db2.gz XKVLAMIDNMNXHZ-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590596 794451902 /nfs/dbraw/zinc/45/19/02/794451902.db2.gz BWFDQDCUYQNNHU-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754482 794497576 /nfs/dbraw/zinc/49/75/76/794497576.db2.gz WQIOIUPOLQIELC-CQSZACIVSA-N 2 1 303.878 2.344 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536629 794813965 /nfs/dbraw/zinc/81/39/65/794813965.db2.gz AIPVHGOJKGCJOD-IRXDYDNUSA-N 2 1 319.493 2.456 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591944 794832034 /nfs/dbraw/zinc/83/20/34/794832034.db2.gz LVCCGRVXGIPUNH-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178722836 794974348 /nfs/dbraw/zinc/97/43/48/794974348.db2.gz QDPXXXHZUIZCIY-MSOLQXFVSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC ZINC001178722836 794974354 /nfs/dbraw/zinc/97/43/54/794974354.db2.gz QDPXXXHZUIZCIY-MSOLQXFVSA-N 2 1 321.509 2.396 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179586435 795138020 /nfs/dbraw/zinc/13/80/20/795138020.db2.gz OQAWXXYEYJQFRU-IAGOWNOFSA-N 2 1 309.498 2.417 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429828 795458881 /nfs/dbraw/zinc/45/88/81/795458881.db2.gz BUGFYZPNHHLRII-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231046 795738472 /nfs/dbraw/zinc/73/84/72/795738472.db2.gz BWLTYGGVVJNVQQ-WLOQGADPSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516903 795878975 /nfs/dbraw/zinc/87/89/75/795878975.db2.gz DTNIFMPSFPKPJP-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001184533499 796076666 /nfs/dbraw/zinc/07/66/66/796076666.db2.gz FZHSEKYYOOVFHG-JSGCOSHPSA-N 2 1 324.856 2.169 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714297 796109522 /nfs/dbraw/zinc/10/95/22/796109522.db2.gz WWJHQWRCDWIMCB-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161206705 796476888 /nfs/dbraw/zinc/47/68/88/796476888.db2.gz LAQSYERBJWXBKH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206705 796476895 /nfs/dbraw/zinc/47/68/95/796476895.db2.gz LAQSYERBJWXBKH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206705 796476899 /nfs/dbraw/zinc/47/68/99/796476899.db2.gz LAQSYERBJWXBKH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190491576 797020599 /nfs/dbraw/zinc/02/05/99/797020599.db2.gz IQUWTLFYMDJPNY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190491576 797020607 /nfs/dbraw/zinc/02/06/07/797020607.db2.gz IQUWTLFYMDJPNY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190491576 797020614 /nfs/dbraw/zinc/02/06/14/797020614.db2.gz IQUWTLFYMDJPNY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675778 797055048 /nfs/dbraw/zinc/05/50/48/797055048.db2.gz WSPWGVCUEJVNEF-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675778 797055055 /nfs/dbraw/zinc/05/50/55/797055055.db2.gz WSPWGVCUEJVNEF-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190724166 797062608 /nfs/dbraw/zinc/06/26/08/797062608.db2.gz JIGBNZFWUPMPIU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190724166 797062616 /nfs/dbraw/zinc/06/26/16/797062616.db2.gz JIGBNZFWUPMPIU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001190724166 797062625 /nfs/dbraw/zinc/06/26/25/797062625.db2.gz JIGBNZFWUPMPIU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001190724166 797062631 /nfs/dbraw/zinc/06/26/31/797062631.db2.gz JIGBNZFWUPMPIU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143374 797154073 /nfs/dbraw/zinc/15/40/73/797154073.db2.gz AKUMMLQQUZMOOX-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387917 797378283 /nfs/dbraw/zinc/37/82/83/797378283.db2.gz ZPAODANTNJMXEP-AWEZNQCLSA-N 2 1 315.889 2.250 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856877 797464685 /nfs/dbraw/zinc/46/46/85/797464685.db2.gz FRODNJVCGMDSCB-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856877 797464689 /nfs/dbraw/zinc/46/46/89/797464689.db2.gz FRODNJVCGMDSCB-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917214 797471228 /nfs/dbraw/zinc/47/12/28/797471228.db2.gz LBBKTFNPDSDIBW-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193381946 797556160 /nfs/dbraw/zinc/55/61/60/797556160.db2.gz CLWINHGAMMNSHG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193381946 797556162 /nfs/dbraw/zinc/55/61/62/797556162.db2.gz CLWINHGAMMNSHG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193381946 797556168 /nfs/dbraw/zinc/55/61/68/797556168.db2.gz CLWINHGAMMNSHG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875781 797631763 /nfs/dbraw/zinc/63/17/63/797631763.db2.gz FHFNEJHAFZCUDB-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875781 797631766 /nfs/dbraw/zinc/63/17/66/797631766.db2.gz FHFNEJHAFZCUDB-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227591 797696471 /nfs/dbraw/zinc/69/64/71/797696471.db2.gz LDIVHPIEVHKZJL-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275733 797697002 /nfs/dbraw/zinc/69/70/02/797697002.db2.gz XOENUWHJHFOYQJ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP Cc1[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)ccc1CC#N ZINC001155385330 797745503 /nfs/dbraw/zinc/74/55/03/797745503.db2.gz UIIKQGKDLJFQTP-INIZCTEOSA-N 2 1 314.433 2.417 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196155735 798014389 /nfs/dbraw/zinc/01/43/89/798014389.db2.gz RLRFNKOMWBNWKC-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138377 798148966 /nfs/dbraw/zinc/14/89/66/798148966.db2.gz YCVRBNCQWOOQED-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197126188 798151334 /nfs/dbraw/zinc/15/13/34/798151334.db2.gz XNNSVWZCDRRNAX-OAHLLOKOSA-N 2 1 316.449 2.330 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951177 798312447 /nfs/dbraw/zinc/31/24/47/798312447.db2.gz RQIWGUTXDLAIPR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951177 798312453 /nfs/dbraw/zinc/31/24/53/798312453.db2.gz RQIWGUTXDLAIPR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951177 798312457 /nfs/dbraw/zinc/31/24/57/798312457.db2.gz RQIWGUTXDLAIPR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158083420 798339090 /nfs/dbraw/zinc/33/90/90/798339090.db2.gz XRZFQPNGGPEGBX-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158083420 798339096 /nfs/dbraw/zinc/33/90/96/798339096.db2.gz XRZFQPNGGPEGBX-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158083420 798339099 /nfs/dbraw/zinc/33/90/99/798339099.db2.gz XRZFQPNGGPEGBX-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001160198306 798660767 /nfs/dbraw/zinc/66/07/67/798660767.db2.gz ZPDKVDKVJYBQPD-ABHNRTSZSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(C)CC1 ZINC001160198306 798660772 /nfs/dbraw/zinc/66/07/72/798660772.db2.gz ZPDKVDKVJYBQPD-ABHNRTSZSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001160209839 798662484 /nfs/dbraw/zinc/66/24/84/798662484.db2.gz YIRNNPCTTWOGQT-SFHVURJKSA-N 2 1 317.477 2.070 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1=CCCCC1 ZINC001160209839 798662486 /nfs/dbraw/zinc/66/24/86/798662486.db2.gz YIRNNPCTTWOGQT-SFHVURJKSA-N 2 1 317.477 2.070 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160500118 798696705 /nfs/dbraw/zinc/69/67/05/798696705.db2.gz LKOLKTFPELFMFS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500118 798696706 /nfs/dbraw/zinc/69/67/06/798696706.db2.gz LKOLKTFPELFMFS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500118 798696708 /nfs/dbraw/zinc/69/67/08/798696708.db2.gz LKOLKTFPELFMFS-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631223 798776724 /nfs/dbraw/zinc/77/67/24/798776724.db2.gz DBWMXWFVZMCGFE-AWEZNQCLSA-N 2 1 304.438 2.127 20 30 DEEDMP N#Cc1c(N[C@H]2CC[N@H+](C3CCC3)C2)ncc2c1CCC[NH2+]C2 ZINC001161175223 798805841 /nfs/dbraw/zinc/80/58/41/798805841.db2.gz FOFZVIZKZVIIRF-AWEZNQCLSA-N 2 1 311.433 2.028 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161214250 798811854 /nfs/dbraw/zinc/81/18/54/798811854.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161214250 798811860 /nfs/dbraw/zinc/81/18/60/798811860.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161214250 798811863 /nfs/dbraw/zinc/81/18/63/798811863.db2.gz WBKBBCYCHLODMG-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504522 798872580 /nfs/dbraw/zinc/87/25/80/798872580.db2.gz OURYENIBIRVCKM-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504522 798872583 /nfs/dbraw/zinc/87/25/83/798872583.db2.gz OURYENIBIRVCKM-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202495565 798980278 /nfs/dbraw/zinc/98/02/78/798980278.db2.gz GKBLLKQDDOHUFY-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606028 799669761 /nfs/dbraw/zinc/66/97/61/799669761.db2.gz ORKJXCMTSZBBFY-IKGGRYGDSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472607 799735805 /nfs/dbraw/zinc/73/58/05/799735805.db2.gz ONBCXOKKKCNERD-QGZVFWFLSA-N 2 1 321.509 2.417 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472606 799736004 /nfs/dbraw/zinc/73/60/04/799736004.db2.gz ONBCXOKKKCNERD-KRWDZBQOSA-N 2 1 321.509 2.417 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165763510 799770857 /nfs/dbraw/zinc/77/08/57/799770857.db2.gz AGSBBGOBUCLGFS-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427025 800046037 /nfs/dbraw/zinc/04/60/37/800046037.db2.gz SDMPQNXLRDACMP-CVEARBPZSA-N 2 1 319.493 2.005 20 30 DEEDMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203762173 800119203 /nfs/dbraw/zinc/11/92/03/800119203.db2.gz AIBAPMMXQQFYOU-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205519077 800367805 /nfs/dbraw/zinc/36/78/05/800367805.db2.gz UTBYMMSMCSGBGB-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1OC ZINC001205558100 800377209 /nfs/dbraw/zinc/37/72/09/800377209.db2.gz BVDKEQDLXRVPLH-GOSISDBHSA-N 2 1 320.408 2.360 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547110 800552790 /nfs/dbraw/zinc/55/27/90/800552790.db2.gz CZXVUQIOGSGIEB-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP SC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206722069 800579805 /nfs/dbraw/zinc/57/98/05/800579805.db2.gz KZTCBVLXQHMYIO-UHFFFAOYSA-N 2 1 306.475 2.413 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930023 800632220 /nfs/dbraw/zinc/63/22/20/800632220.db2.gz OPWVGFBYSPXTDV-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCN(CC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203670 800708741 /nfs/dbraw/zinc/70/87/41/800708741.db2.gz MNNRQUJOBWNJJX-GOSISDBHSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203670 800708744 /nfs/dbraw/zinc/70/87/44/800708744.db2.gz MNNRQUJOBWNJJX-GOSISDBHSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203670 800708747 /nfs/dbraw/zinc/70/87/47/800708747.db2.gz MNNRQUJOBWNJJX-GOSISDBHSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203670 800708750 /nfs/dbraw/zinc/70/87/50/800708750.db2.gz MNNRQUJOBWNJJX-GOSISDBHSA-N 2 1 323.481 2.437 20 30 DEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207611844 800788918 /nfs/dbraw/zinc/78/89/18/800788918.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207611844 800788920 /nfs/dbraw/zinc/78/89/20/800788920.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207611844 800788922 /nfs/dbraw/zinc/78/89/22/800788922.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207611844 800788924 /nfs/dbraw/zinc/78/89/24/800788924.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207611844 800788925 /nfs/dbraw/zinc/78/89/25/800788925.db2.gz XVEYCUOSBUFEIT-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460209 800988093 /nfs/dbraw/zinc/98/80/93/800988093.db2.gz QAWVUOJZWOTTJQ-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572088 801016073 /nfs/dbraw/zinc/01/60/73/801016073.db2.gz JTJONEJKSRQFKZ-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208606186 801027516 /nfs/dbraw/zinc/02/75/16/801027516.db2.gz DKHBCIGCTOCDBM-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208606186 801027521 /nfs/dbraw/zinc/02/75/21/801027521.db2.gz DKHBCIGCTOCDBM-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208606186 801027526 /nfs/dbraw/zinc/02/75/26/801027526.db2.gz DKHBCIGCTOCDBM-GUDVDZBRSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCCC[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209160901 801140294 /nfs/dbraw/zinc/14/02/94/801140294.db2.gz DDEJASDLBRLPNO-UHFFFAOYSA-N 2 1 306.454 2.133 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209891471 801303223 /nfs/dbraw/zinc/30/32/23/801303223.db2.gz DTJQSMNCMWZKFK-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018346 801769550 /nfs/dbraw/zinc/76/95/50/801769550.db2.gz IWNCTXIEXUFMFV-AWEZNQCLSA-N 2 1 314.389 2.440 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018346 801769553 /nfs/dbraw/zinc/76/95/53/801769553.db2.gz IWNCTXIEXUFMFV-AWEZNQCLSA-N 2 1 314.389 2.440 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265707 802337928 /nfs/dbraw/zinc/33/79/28/802337928.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265707 802337935 /nfs/dbraw/zinc/33/79/35/802337935.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265707 802337942 /nfs/dbraw/zinc/33/79/42/802337942.db2.gz KYYUBBWSWZHPPQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP CCCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521340 802700428 /nfs/dbraw/zinc/70/04/28/802700428.db2.gz QTUGZHXFKTXZTG-SFHVURJKSA-N 2 1 307.482 2.149 20 30 DEEDMP C#CCC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223472883 802793086 /nfs/dbraw/zinc/79/30/86/802793086.db2.gz XIVFYLBHQVDZPT-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001223507850 802796290 /nfs/dbraw/zinc/79/62/90/802796290.db2.gz XBAWVSKZSZADQR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C[NH+](C)CCCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224991748 802924679 /nfs/dbraw/zinc/92/46/79/802924679.db2.gz ZYAGGTFWCAXOKD-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225426747 802964649 /nfs/dbraw/zinc/96/46/49/802964649.db2.gz GDHZYLPCKJPFLS-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226890105 803172409 /nfs/dbraw/zinc/17/24/09/803172409.db2.gz IMHDGSSRQMPJKP-GVDBMIGSSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500495400 1058853568 /nfs/dbraw/zinc/85/35/68/1058853568.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495400 1058853594 /nfs/dbraw/zinc/85/35/94/1058853594.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495400 1058853620 /nfs/dbraw/zinc/85/36/20/1058853620.db2.gz DKUMMLQNWNMXON-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394541 1059489404 /nfs/dbraw/zinc/48/94/04/1059489404.db2.gz IJCITNYGFVGACP-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001502400954 1060108987 /nfs/dbraw/zinc/10/89/87/1060108987.db2.gz DZVNWXSSBKKXGG-GASCZTMLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001502400954 1060109001 /nfs/dbraw/zinc/10/90/01/1060109001.db2.gz DZVNWXSSBKKXGG-GASCZTMLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001502400954 1060109018 /nfs/dbraw/zinc/10/90/18/1060109018.db2.gz DZVNWXSSBKKXGG-GASCZTMLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001502400954 1060109036 /nfs/dbraw/zinc/10/90/36/1060109036.db2.gz DZVNWXSSBKKXGG-GASCZTMLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001480076882 1151551490 /nfs/dbraw/zinc/55/14/90/1151551490.db2.gz GCSUFKAZBXUBAZ-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480076882 1151551495 /nfs/dbraw/zinc/55/14/95/1151551495.db2.gz GCSUFKAZBXUBAZ-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480076882 1151551506 /nfs/dbraw/zinc/55/15/06/1151551506.db2.gz GCSUFKAZBXUBAZ-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001505449795 1060613604 /nfs/dbraw/zinc/61/36/04/1060613604.db2.gz OZJBAYQQHGKTSE-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001505449795 1060613615 /nfs/dbraw/zinc/61/36/15/1060613615.db2.gz OZJBAYQQHGKTSE-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001505837157 1061020031 /nfs/dbraw/zinc/02/00/31/1061020031.db2.gz PKVSYMHYIXJZMC-KRWDZBQOSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001479736328 1061660320 /nfs/dbraw/zinc/66/03/20/1061660320.db2.gz ANCLRGGYAWSFBV-INIZCTEOSA-N 2 1 304.438 2.162 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001479747960 1061675317 /nfs/dbraw/zinc/67/53/17/1061675317.db2.gz KAXWJACPMJTXTB-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001479914892 1062043399 /nfs/dbraw/zinc/04/33/99/1062043399.db2.gz XTUYUZNCLHKMAI-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001479914892 1062043415 /nfs/dbraw/zinc/04/34/15/1062043415.db2.gz XTUYUZNCLHKMAI-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479914892 1062043437 /nfs/dbraw/zinc/04/34/37/1062043437.db2.gz XTUYUZNCLHKMAI-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001479994602 1062157412 /nfs/dbraw/zinc/15/74/12/1062157412.db2.gz WFRCPLZNQWUTQN-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001480096857 1062322979 /nfs/dbraw/zinc/32/29/79/1062322979.db2.gz AICVUDVRNDSZHY-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001480098250 1062324378 /nfs/dbraw/zinc/32/43/78/1062324378.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480098250 1062324398 /nfs/dbraw/zinc/32/43/98/1062324398.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480098250 1062324422 /nfs/dbraw/zinc/32/44/22/1062324422.db2.gz NFZHUDHMBNLJNJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001480621978 1063114328 /nfs/dbraw/zinc/11/43/28/1063114328.db2.gz JTFFUGUKXAELCN-KBPBESRZSA-N 2 1 304.438 2.233 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507396726 1063224015 /nfs/dbraw/zinc/22/40/15/1063224015.db2.gz FAOVGQFWIAEJSN-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493086700 1063550398 /nfs/dbraw/zinc/55/03/98/1063550398.db2.gz UMMAIEFVKRAGCH-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001493086700 1063550415 /nfs/dbraw/zinc/55/04/15/1063550415.db2.gz UMMAIEFVKRAGCH-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001493086700 1063550432 /nfs/dbraw/zinc/55/04/32/1063550432.db2.gz UMMAIEFVKRAGCH-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001508120637 1063564872 /nfs/dbraw/zinc/56/48/72/1063564872.db2.gz IGHBMTHUGXTJQW-IUDNXUCKSA-N 2 1 304.438 2.125 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493241070 1063665428 /nfs/dbraw/zinc/66/54/28/1063665428.db2.gz QSSOSPRDCNWZCH-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493241070 1063665437 /nfs/dbraw/zinc/66/54/37/1063665437.db2.gz QSSOSPRDCNWZCH-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001493832695 1063982056 /nfs/dbraw/zinc/98/20/56/1063982056.db2.gz YRQUDHKYIQQHAB-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001494206476 1064173920 /nfs/dbraw/zinc/17/39/20/1064173920.db2.gz MXBDNDVUTYPZSA-UHFFFAOYSA-N 2 1 309.498 2.321 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001494206476 1064173923 /nfs/dbraw/zinc/17/39/23/1064173923.db2.gz MXBDNDVUTYPZSA-UHFFFAOYSA-N 2 1 309.498 2.321 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001494206476 1064173929 /nfs/dbraw/zinc/17/39/29/1064173929.db2.gz MXBDNDVUTYPZSA-UHFFFAOYSA-N 2 1 309.498 2.321 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567774623 1064415493 /nfs/dbraw/zinc/41/54/93/1064415493.db2.gz GCYAENVLGRVWOB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567774623 1064415502 /nfs/dbraw/zinc/41/55/02/1064415502.db2.gz GCYAENVLGRVWOB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567774623 1064415513 /nfs/dbraw/zinc/41/55/13/1064415513.db2.gz GCYAENVLGRVWOB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001567882997 1064481779 /nfs/dbraw/zinc/48/17/79/1064481779.db2.gz VIXRULDOXGNFQN-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001567882997 1064481784 /nfs/dbraw/zinc/48/17/84/1064481784.db2.gz VIXRULDOXGNFQN-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001567882997 1064481791 /nfs/dbraw/zinc/48/17/91/1064481791.db2.gz VIXRULDOXGNFQN-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001568393632 1064832693 /nfs/dbraw/zinc/83/26/93/1064832693.db2.gz PDDMXWHVMODACV-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001495519877 1064961166 /nfs/dbraw/zinc/96/11/66/1064961166.db2.gz JROCHFXQICVDTF-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496326753 1065409504 /nfs/dbraw/zinc/40/95/04/1065409504.db2.gz OTUQPSKNXIZKIY-WMZOPIPTSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001569443097 1065510731 /nfs/dbraw/zinc/51/07/31/1065510731.db2.gz WQZGSSAQNBPCJN-ALOPSCKCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569716419 1065688262 /nfs/dbraw/zinc/68/82/62/1065688262.db2.gz XGLOFJLZUXEQBC-MJGOQNOKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569984150 1065860584 /nfs/dbraw/zinc/86/05/84/1065860584.db2.gz QGPVDDIVDIRXRP-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001569985650 1065862183 /nfs/dbraw/zinc/86/21/83/1065862183.db2.gz VOBJDFACMLJHIS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001570449583 1066078491 /nfs/dbraw/zinc/07/84/91/1066078491.db2.gz RNAWFJCAOLMOJT-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001497444768 1066098622 /nfs/dbraw/zinc/09/86/22/1066098622.db2.gz ODXNUUCAKMMGPS-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001499530689 1067248795 /nfs/dbraw/zinc/24/87/95/1067248795.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001499530689 1067248799 /nfs/dbraw/zinc/24/87/99/1067248799.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001499530689 1067248807 /nfs/dbraw/zinc/24/88/07/1067248807.db2.gz WPIDQUDFYYDDRO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001499835748 1067353207 /nfs/dbraw/zinc/35/32/07/1067353207.db2.gz PEFNDWCADDURPH-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001483584161 1078612084 /nfs/dbraw/zinc/61/20/84/1078612084.db2.gz VXSJBZZCJZUILQ-QZTJIDSGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542060 1067995840 /nfs/dbraw/zinc/99/58/40/1067995840.db2.gz OCBMJGDHQYWHTF-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001570542060 1067995852 /nfs/dbraw/zinc/99/58/52/1067995852.db2.gz OCBMJGDHQYWHTF-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001570799837 1068120972 /nfs/dbraw/zinc/12/09/72/1068120972.db2.gz KKPWBYPIJNXQJQ-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570813972 1068126339 /nfs/dbraw/zinc/12/63/39/1068126339.db2.gz JTNURODPJMRERF-JKSUJKDBSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001571277160 1068208811 /nfs/dbraw/zinc/20/88/11/1068208811.db2.gz KAIGTSDOFJWZOM-OAHLLOKOSA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001571326599 1068223198 /nfs/dbraw/zinc/22/31/98/1068223198.db2.gz XURSXVZHYHHNJH-FUHWJXTLSA-N 2 1 315.461 2.187 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001571503706 1068362199 /nfs/dbraw/zinc/36/21/99/1068362199.db2.gz UUMCILLNHIJJLV-ZHALLVOQSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298176 1078744803 /nfs/dbraw/zinc/74/48/03/1078744803.db2.gz KPUPKHMEJXXMIB-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267350386 1078785454 /nfs/dbraw/zinc/78/54/54/1078785454.db2.gz DISMUUGSUYEWLM-SJORKVTESA-N 2 1 301.434 2.104 20 30 DEEDMP C=C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001520328773 1069120349 /nfs/dbraw/zinc/12/03/49/1069120349.db2.gz JXICCRXZEBDSIP-WMZOPIPTSA-N 2 1 317.477 2.344 20 30 DEEDMP C=C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC001520328773 1069120359 /nfs/dbraw/zinc/12/03/59/1069120359.db2.gz JXICCRXZEBDSIP-WMZOPIPTSA-N 2 1 317.477 2.344 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131873 1072447959 /nfs/dbraw/zinc/44/79/59/1072447959.db2.gz RIONRRLVFVCVTH-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267544330 1078973481 /nfs/dbraw/zinc/97/34/81/1078973481.db2.gz KCVREQRADKDAIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267544330 1078973485 /nfs/dbraw/zinc/97/34/85/1078973485.db2.gz KCVREQRADKDAIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267544330 1078973489 /nfs/dbraw/zinc/97/34/89/1078973489.db2.gz KCVREQRADKDAIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550814 1078982431 /nfs/dbraw/zinc/98/24/31/1078982431.db2.gz ZWDCAKQTCSRJIT-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267564263 1078998320 /nfs/dbraw/zinc/99/83/20/1078998320.db2.gz PDPWGDJWNKGHBR-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483800909 1079129558 /nfs/dbraw/zinc/12/95/58/1079129558.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800909 1079129565 /nfs/dbraw/zinc/12/95/65/1079129565.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800909 1079129571 /nfs/dbraw/zinc/12/95/71/1079129571.db2.gz FDXRHJNKDABBBF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023377 1091689816 /nfs/dbraw/zinc/68/98/16/1091689816.db2.gz RKGBOWZFMYMUKH-YESZJQIVSA-N 2 1 300.487 2.130 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484070109 1079284132 /nfs/dbraw/zinc/28/41/32/1079284132.db2.gz CBDFEEGKAZRDQC-INIZCTEOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484070109 1079284137 /nfs/dbraw/zinc/28/41/37/1079284137.db2.gz CBDFEEGKAZRDQC-INIZCTEOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001565872233 1075060842 /nfs/dbraw/zinc/06/08/42/1075060842.db2.gz JNLSEEUTQJXTER-YVSFHVDLSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267661466 1079352074 /nfs/dbraw/zinc/35/20/74/1079352074.db2.gz BBLLHFMNWBRGJL-AWEZNQCLSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267666064 1079354641 /nfs/dbraw/zinc/35/46/41/1079354641.db2.gz PCEOUSCFEXQYTC-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001566715556 1075324806 /nfs/dbraw/zinc/32/48/06/1075324806.db2.gz ZECGGSOLGXURSI-QGZVFWFLSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566878167 1075371880 /nfs/dbraw/zinc/37/18/80/1075371880.db2.gz NBSVGMBQECXAMI-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927420 1075388922 /nfs/dbraw/zinc/38/89/22/1075388922.db2.gz QJUSVXPRFIIANS-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484398338 1079586518 /nfs/dbraw/zinc/58/65/18/1079586518.db2.gz ZSTLVRKAAAGZAN-BRWVUGGUSA-N 2 1 307.482 2.026 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001267930738 1079611794 /nfs/dbraw/zinc/61/17/94/1079611794.db2.gz OWOXCGXZBHEJFK-KKUMJFAQSA-N 2 1 304.438 2.181 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001484641071 1079700363 /nfs/dbraw/zinc/70/03/63/1079700363.db2.gz NZBWQKOUCXUBFP-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481400932 1079787448 /nfs/dbraw/zinc/78/74/48/1079787448.db2.gz SWZHMBFGYIWNKD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481400932 1079787452 /nfs/dbraw/zinc/78/74/52/1079787452.db2.gz SWZHMBFGYIWNKD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481400932 1079787455 /nfs/dbraw/zinc/78/74/55/1079787455.db2.gz SWZHMBFGYIWNKD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001485011607 1079916924 /nfs/dbraw/zinc/91/69/24/1079916924.db2.gz RZTIJNLPBTWRFK-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268106512 1080077994 /nfs/dbraw/zinc/07/79/94/1080077994.db2.gz UTFBLYFOHFZLEF-DLBZAZTESA-N 2 1 307.482 2.003 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268120239 1080089076 /nfs/dbraw/zinc/08/90/76/1080089076.db2.gz MSGLESWXOUZXRT-RCCFBDPRSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001656888920 1080135000 /nfs/dbraw/zinc/13/50/00/1080135000.db2.gz AUFYMXGQZKXZIY-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656909918 1080138812 /nfs/dbraw/zinc/13/88/12/1080138812.db2.gz SOIHSQYVGVFMFQ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001657082725 1080154106 /nfs/dbraw/zinc/15/41/06/1080154106.db2.gz JPRDHRQLUYDFSP-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCNC(=O)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001657659759 1080182004 /nfs/dbraw/zinc/18/20/04/1080182004.db2.gz BXNNEKAJYLJBRS-UHFFFAOYSA-N 2 1 303.450 2.036 20 30 DEEDMP C=CCNC(=O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001657659759 1080182009 /nfs/dbraw/zinc/18/20/09/1080182009.db2.gz BXNNEKAJYLJBRS-UHFFFAOYSA-N 2 1 303.450 2.036 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001658778258 1080218874 /nfs/dbraw/zinc/21/88/74/1080218874.db2.gz UUQKHGOPTQDWIG-QXAKKESOSA-N 2 1 312.461 2.466 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001268269288 1080249450 /nfs/dbraw/zinc/24/94/50/1080249450.db2.gz LUYUBYRKDKHONN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268269288 1080249460 /nfs/dbraw/zinc/24/94/60/1080249460.db2.gz LUYUBYRKDKHONN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001268269288 1080249467 /nfs/dbraw/zinc/24/94/67/1080249467.db2.gz LUYUBYRKDKHONN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001485665531 1080353989 /nfs/dbraw/zinc/35/39/89/1080353989.db2.gz PDLBTDFUXVEPHE-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670067 1080357956 /nfs/dbraw/zinc/35/79/56/1080357956.db2.gz NPBMPJBKFBCROY-KDURUIRLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670067 1080357967 /nfs/dbraw/zinc/35/79/67/1080357967.db2.gz NPBMPJBKFBCROY-KDURUIRLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001485670067 1080357976 /nfs/dbraw/zinc/35/79/76/1080357976.db2.gz NPBMPJBKFBCROY-KDURUIRLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660822040 1080403362 /nfs/dbraw/zinc/40/33/62/1080403362.db2.gz BQHAPMXMUCCUFW-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660822040 1080403368 /nfs/dbraw/zinc/40/33/68/1080403368.db2.gz BQHAPMXMUCCUFW-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481742459 1080421327 /nfs/dbraw/zinc/42/13/27/1080421327.db2.gz DOHZRHDBCPKZPA-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001485766824 1080423100 /nfs/dbraw/zinc/42/31/00/1080423100.db2.gz ANDUFYKRBFVNBR-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099547764 1080482879 /nfs/dbraw/zinc/48/28/79/1080482879.db2.gz KSKWGVDPSIDTMB-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001661690867 1080507797 /nfs/dbraw/zinc/50/77/97/1080507797.db2.gz WKCVBYLDOFUGLI-FGTMMUONSA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036654 1080551886 /nfs/dbraw/zinc/55/18/86/1080551886.db2.gz OMTHKLCVRORWSR-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862246 1080669134 /nfs/dbraw/zinc/66/91/34/1080669134.db2.gz KGMODMHRKVFGPI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662862246 1080669135 /nfs/dbraw/zinc/66/91/35/1080669135.db2.gz KGMODMHRKVFGPI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662862246 1080669138 /nfs/dbraw/zinc/66/91/38/1080669138.db2.gz KGMODMHRKVFGPI-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760043 1080957441 /nfs/dbraw/zinc/95/74/41/1080957441.db2.gz KIUHABHXFJUYGL-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001268883508 1081030116 /nfs/dbraw/zinc/03/01/16/1081030116.db2.gz NLFFCMNSOINKCA-UHFFFAOYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001665731380 1081073209 /nfs/dbraw/zinc/07/32/09/1081073209.db2.gz LFZWVEXMUFAANN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001665731380 1081073213 /nfs/dbraw/zinc/07/32/13/1081073213.db2.gz LFZWVEXMUFAANN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001665731380 1081073219 /nfs/dbraw/zinc/07/32/19/1081073219.db2.gz LFZWVEXMUFAANN-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097282 1081115083 /nfs/dbraw/zinc/11/50/83/1081115083.db2.gz YSHPDURFKUFEHU-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001666829766 1081184784 /nfs/dbraw/zinc/18/47/84/1081184784.db2.gz UBFONYZQBTVCCH-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)CC(C)C ZINC001667093148 1081210725 /nfs/dbraw/zinc/21/07/25/1081210725.db2.gz RWNKJSCIEFZEQO-MSOLQXFVSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C(C)C)CC(C)C ZINC001667093148 1081210729 /nfs/dbraw/zinc/21/07/29/1081210729.db2.gz RWNKJSCIEFZEQO-MSOLQXFVSA-N 2 1 319.493 2.171 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001667216893 1081226275 /nfs/dbraw/zinc/22/62/75/1081226275.db2.gz LELXYEOKLCQQFM-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001667216893 1081226277 /nfs/dbraw/zinc/22/62/77/1081226277.db2.gz LELXYEOKLCQQFM-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001668178844 1081324619 /nfs/dbraw/zinc/32/46/19/1081324619.db2.gz NGWHLBVPVYVKFX-CABCVRRESA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001668178845 1081324701 /nfs/dbraw/zinc/32/47/01/1081324701.db2.gz NGWHLBVPVYVKFX-GJZGRUSLSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001670118720 1081497394 /nfs/dbraw/zinc/49/73/94/1081497394.db2.gz XDKGZOUPVKZBGG-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001671598193 1081525445 /nfs/dbraw/zinc/52/54/45/1081525445.db2.gz HQYRRPPPQPJSCJ-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672911153 1081721017 /nfs/dbraw/zinc/72/10/17/1081721017.db2.gz QLDMAQOCLSGJFO-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001673175078 1081743621 /nfs/dbraw/zinc/74/36/21/1081743621.db2.gz DDABPFYXBXSSOH-QGZVFWFLSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406890 1081818089 /nfs/dbraw/zinc/81/80/89/1081818089.db2.gz FNOVQQOCNZTZGM-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406890 1081818098 /nfs/dbraw/zinc/81/80/98/1081818098.db2.gz FNOVQQOCNZTZGM-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406890 1081818110 /nfs/dbraw/zinc/81/81/10/1081818110.db2.gz FNOVQQOCNZTZGM-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482469960 1081944109 /nfs/dbraw/zinc/94/41/09/1081944109.db2.gz FRYYZCVMTIMLNB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001266467990 1082056308 /nfs/dbraw/zinc/05/63/08/1082056308.db2.gz HPJPUBFOPMXZAU-HNNXBMFYSA-N 2 1 304.438 2.083 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001266494799 1082074542 /nfs/dbraw/zinc/07/45/42/1082074542.db2.gz AEAUVAGEQWSQOS-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266494799 1082074548 /nfs/dbraw/zinc/07/45/48/1082074548.db2.gz AEAUVAGEQWSQOS-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266494799 1082074556 /nfs/dbraw/zinc/07/45/56/1082074556.db2.gz AEAUVAGEQWSQOS-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001271772097 1082151021 /nfs/dbraw/zinc/15/10/21/1082151021.db2.gz JYYDVKGTYFQKPP-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001271891156 1082182070 /nfs/dbraw/zinc/18/20/70/1082182070.db2.gz GYYXYVFNHMOILG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001671599515 1082248976 /nfs/dbraw/zinc/24/89/76/1082248976.db2.gz XTKRVYRGKHUXQB-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001671599515 1082248981 /nfs/dbraw/zinc/24/89/81/1082248981.db2.gz XTKRVYRGKHUXQB-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001671599515 1082248989 /nfs/dbraw/zinc/24/89/89/1082248989.db2.gz XTKRVYRGKHUXQB-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001266663269 1082257697 /nfs/dbraw/zinc/25/76/97/1082257697.db2.gz NFFCPFWZICKKIY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663269 1082257704 /nfs/dbraw/zinc/25/77/04/1082257704.db2.gz NFFCPFWZICKKIY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663269 1082257712 /nfs/dbraw/zinc/25/77/12/1082257712.db2.gz NFFCPFWZICKKIY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266724432 1082305404 /nfs/dbraw/zinc/30/54/04/1082305404.db2.gz OERNEGDTGHAWBX-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266841892 1082383365 /nfs/dbraw/zinc/38/33/65/1082383365.db2.gz DQZKDGVKLOTILV-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266889006 1082431730 /nfs/dbraw/zinc/43/17/30/1082431730.db2.gz AOCPVEYMPIOXIT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436724 1083393837 /nfs/dbraw/zinc/39/38/37/1083393837.db2.gz MITFZMPZSRPYTM-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451152 1083406040 /nfs/dbraw/zinc/40/60/40/1083406040.db2.gz PKAUFECMNYEXRA-JFIYKMOQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524107 1083459668 /nfs/dbraw/zinc/45/96/68/1083459668.db2.gz IBCQCCCYCPJNKM-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546939 1083475491 /nfs/dbraw/zinc/47/54/91/1083475491.db2.gz UDIKPBDKIWHAMU-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546939 1083475495 /nfs/dbraw/zinc/47/54/95/1083475495.db2.gz UDIKPBDKIWHAMU-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546939 1083475499 /nfs/dbraw/zinc/47/54/99/1083475499.db2.gz UDIKPBDKIWHAMU-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001277435461 1083967413 /nfs/dbraw/zinc/96/74/13/1083967413.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001277435461 1083967418 /nfs/dbraw/zinc/96/74/18/1083967418.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001277435461 1083967422 /nfs/dbraw/zinc/96/74/22/1083967422.db2.gz OPKIPYYANRSVFM-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001272763957 1083971062 /nfs/dbraw/zinc/97/10/62/1083971062.db2.gz ZPOACRXGVAFYHW-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923084 1084146508 /nfs/dbraw/zinc/14/65/08/1084146508.db2.gz IJXFZGZZHOTCQV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC(C)[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084153981 /nfs/dbraw/zinc/15/39/81/1084153981.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 2 1 300.450 2.449 20 30 DEEDMP CC(C)[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084153987 /nfs/dbraw/zinc/15/39/87/1084153987.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 2 1 300.450 2.449 20 30 DEEDMP CC(C)[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277799186 1084153992 /nfs/dbraw/zinc/15/39/92/1084153992.db2.gz LVPRSZXRRQEJHB-CALCHBBNSA-N 2 1 300.450 2.449 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302831 1084223430 /nfs/dbraw/zinc/22/34/30/1084223430.db2.gz ZDWDOZKUOQVPHL-GOEBONIOSA-N 2 1 318.465 2.444 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259910 1084363268 /nfs/dbraw/zinc/36/32/68/1084363268.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001235259910 1084363278 /nfs/dbraw/zinc/36/32/78/1084363278.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001235259910 1084363293 /nfs/dbraw/zinc/36/32/93/1084363293.db2.gz DLDAZCVHTZQLPE-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](CCCCC#N)CC3)n(C)n1 ZINC001277951661 1084456234 /nfs/dbraw/zinc/45/62/34/1084456234.db2.gz MCJCULSWDSRIMG-UHFFFAOYSA-N 2 1 315.465 2.320 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726793 1084832454 /nfs/dbraw/zinc/83/24/54/1084832454.db2.gz XZNRLONQDIGKKJ-HOTGVXAUSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485960621 1085022705 /nfs/dbraw/zinc/02/27/05/1085022705.db2.gz JGDLGTSKPVDXAO-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038734 1086064610 /nfs/dbraw/zinc/06/46/10/1086064610.db2.gz HUVLVZFXRYEROY-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000963158226 1086317783 /nfs/dbraw/zinc/31/77/83/1086317783.db2.gz VDVNKZZDZNOERX-NRXISQOPSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963433293 1086454317 /nfs/dbraw/zinc/45/43/17/1086454317.db2.gz LQOKYMNTFJFAJW-DAWZGUTISA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957278429 1088138342 /nfs/dbraw/zinc/13/83/42/1088138342.db2.gz JPRAAKJKNWQIGM-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701213 1088338385 /nfs/dbraw/zinc/33/83/85/1088338385.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701213 1088338398 /nfs/dbraw/zinc/33/83/98/1088338398.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701213 1088338408 /nfs/dbraw/zinc/33/84/08/1088338408.db2.gz ZJNIIJGVVGMDNY-SOLBZPMBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828941 1088900138 /nfs/dbraw/zinc/90/01/38/1088900138.db2.gz NJDWOCWFXNDPON-VVLHAWIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559491 1090006885 /nfs/dbraw/zinc/00/68/85/1090006885.db2.gz GVFXIDXVRDOSNT-OIISXLGYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357037 1090275493 /nfs/dbraw/zinc/27/54/93/1090275493.db2.gz DIHOAOXKFWOLTQ-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357037 1090275502 /nfs/dbraw/zinc/27/55/02/1090275502.db2.gz DIHOAOXKFWOLTQ-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357037 1090275508 /nfs/dbraw/zinc/27/55/08/1090275508.db2.gz DIHOAOXKFWOLTQ-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291499 /nfs/dbraw/zinc/29/14/99/1090291499.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291501 /nfs/dbraw/zinc/29/15/01/1090291501.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405582 1090291505 /nfs/dbraw/zinc/29/15/05/1090291505.db2.gz UNPIPKNWGNGUFT-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084712584 1090406637 /nfs/dbraw/zinc/40/66/37/1090406637.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 1 316.449 2.087 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001084712584 1090406641 /nfs/dbraw/zinc/40/66/41/1090406641.db2.gz NVBBJVQDUBPQKF-ZMSDIMECSA-N 2 1 316.449 2.087 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275144331 1091582168 /nfs/dbraw/zinc/58/21/68/1091582168.db2.gz XVLCRUOQSCZICZ-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001275144025 1091582275 /nfs/dbraw/zinc/58/22/75/1091582275.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001275144025 1091582282 /nfs/dbraw/zinc/58/22/82/1091582282.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001275144025 1091582294 /nfs/dbraw/zinc/58/22/94/1091582294.db2.gz TVHATTLXFOWVFE-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275290667 1091655283 /nfs/dbraw/zinc/65/52/83/1091655283.db2.gz WMLDNINGJWUHJF-UHFFFAOYSA-N 2 1 321.428 2.379 20 30 DEEDMP C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495195 1091883292 /nfs/dbraw/zinc/88/32/92/1091883292.db2.gz QCRFULPAAMYFFE-GOSISDBHSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775636 1091929669 /nfs/dbraw/zinc/92/96/69/1091929669.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775636 1091929676 /nfs/dbraw/zinc/92/96/76/1091929676.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775636 1091929680 /nfs/dbraw/zinc/92/96/80/1091929680.db2.gz NOTPFKBURTZYLV-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)CC ZINC001275684554 1091999942 /nfs/dbraw/zinc/99/99/42/1091999942.db2.gz CZHGTVCFUOGCLG-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)CC ZINC001275684554 1091999951 /nfs/dbraw/zinc/99/99/51/1091999951.db2.gz CZHGTVCFUOGCLG-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001275691481 1092004485 /nfs/dbraw/zinc/00/44/85/1092004485.db2.gz NRFCOPSXXKFGFN-UHFFFAOYSA-N 2 1 322.453 2.000 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001273757291 1092034511 /nfs/dbraw/zinc/03/45/11/1092034511.db2.gz YFNPXJQIXMRPSX-QGZVFWFLSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001273807368 1092103286 /nfs/dbraw/zinc/10/32/86/1092103286.db2.gz KNRAAAOIYMFDRA-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001488666576 1092672916 /nfs/dbraw/zinc/67/29/16/1092672916.db2.gz BYRDKMUNINSQCD-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001488666576 1092672922 /nfs/dbraw/zinc/67/29/22/1092672922.db2.gz BYRDKMUNINSQCD-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447884 1093362156 /nfs/dbraw/zinc/36/21/56/1093362156.db2.gz JWBYOVNJQHVDHS-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110412 1093802192 /nfs/dbraw/zinc/80/21/92/1093802192.db2.gz JWIWEMXPBTYXRW-IBGZPJMESA-N 2 1 324.428 2.477 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110412 1093802194 /nfs/dbraw/zinc/80/21/94/1093802194.db2.gz JWIWEMXPBTYXRW-IBGZPJMESA-N 2 1 324.428 2.477 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957637 1138924867 /nfs/dbraw/zinc/92/48/67/1138924867.db2.gz SIOCCKCMHVITTC-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001319038814 1140493851 /nfs/dbraw/zinc/49/38/51/1140493851.db2.gz ULKNKXVPZAKDJW-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001319042831 1140494390 /nfs/dbraw/zinc/49/43/90/1140494390.db2.gz BEQMQEBWKPIHMM-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246047029 1140852723 /nfs/dbraw/zinc/85/27/23/1140852723.db2.gz BYIAZBDQJUEEFJ-ZWKOTPCHSA-N 2 1 311.514 2.205 20 30 DEEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001320888869 1140971747 /nfs/dbraw/zinc/97/17/47/1140971747.db2.gz MROJPWTUABWHSI-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001278460349 1141026225 /nfs/dbraw/zinc/02/62/25/1141026225.db2.gz RGWOMFZYWBXEDJ-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730685 1141047120 /nfs/dbraw/zinc/04/71/20/1141047120.db2.gz AEHLSSKYPSUMFG-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001324162445 1142019848 /nfs/dbraw/zinc/01/98/48/1142019848.db2.gz KOKDOUXLZGLLLP-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324285813 1142047606 /nfs/dbraw/zinc/04/76/06/1142047606.db2.gz LUDMFCLCDDKPOI-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC(=C)C)CC1 ZINC001324442343 1142077463 /nfs/dbraw/zinc/07/74/63/1142077463.db2.gz YUAUAOFGNUEYNK-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001324470877 1142084021 /nfs/dbraw/zinc/08/40/21/1142084021.db2.gz SUJBEHNOFNLNPD-OKZBNKHCSA-N 2 1 319.493 2.005 20 30 DEEDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001253396415 1142868588 /nfs/dbraw/zinc/86/85/88/1142868588.db2.gz ZSVAZRPGSRTQQH-LJQANCHMSA-N 2 1 314.473 2.499 20 30 DEEDMP C#CC[NH2+]CC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001341774787 1143701849 /nfs/dbraw/zinc/70/18/49/1143701849.db2.gz DEHDNQHHRZMWOW-UHFFFAOYSA-N 2 1 313.445 2.122 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001278929865 1143842858 /nfs/dbraw/zinc/84/28/58/1143842858.db2.gz NGMYFUANXVNIEF-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001278929865 1143842860 /nfs/dbraw/zinc/84/28/60/1143842860.db2.gz NGMYFUANXVNIEF-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001278929865 1143842861 /nfs/dbraw/zinc/84/28/61/1143842861.db2.gz NGMYFUANXVNIEF-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001265026022 1144627552 /nfs/dbraw/zinc/62/75/52/1144627552.db2.gz QBQIAZJOCODSJB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001265026022 1144627554 /nfs/dbraw/zinc/62/75/54/1144627554.db2.gz QBQIAZJOCODSJB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001265026022 1144627555 /nfs/dbraw/zinc/62/75/55/1144627555.db2.gz QBQIAZJOCODSJB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265120878 1144648693 /nfs/dbraw/zinc/64/86/93/1144648693.db2.gz BZJZJGXRTNTTKL-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233303 1144673574 /nfs/dbraw/zinc/67/35/74/1144673574.db2.gz QIPCQBDCOFVWNI-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233303 1144673575 /nfs/dbraw/zinc/67/35/75/1144673575.db2.gz QIPCQBDCOFVWNI-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266177572 1144811852 /nfs/dbraw/zinc/81/18/52/1144811852.db2.gz HPDXHLPWLINEFJ-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001279402706 1144821969 /nfs/dbraw/zinc/82/19/69/1144821969.db2.gz DMBIDAACLYRJHN-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279402706 1144821970 /nfs/dbraw/zinc/82/19/70/1144821970.db2.gz DMBIDAACLYRJHN-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279402706 1144821971 /nfs/dbraw/zinc/82/19/71/1144821971.db2.gz DMBIDAACLYRJHN-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001280308901 1144835359 /nfs/dbraw/zinc/83/53/59/1144835359.db2.gz WNHBTVHYWUWQET-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281963954 1144924245 /nfs/dbraw/zinc/92/42/45/1144924245.db2.gz ANEOBEMCBNAWTO-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281963954 1144924247 /nfs/dbraw/zinc/92/42/47/1144924247.db2.gz ANEOBEMCBNAWTO-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281963954 1144924251 /nfs/dbraw/zinc/92/42/51/1144924251.db2.gz ANEOBEMCBNAWTO-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC/C=C\CC)CC1 ZINC001282497415 1145080229 /nfs/dbraw/zinc/08/02/29/1145080229.db2.gz OFSORSUHFUMLFH-ZPUOCTKUSA-N 2 1 319.493 2.124 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001282960076 1145214686 /nfs/dbraw/zinc/21/46/86/1145214686.db2.gz XRXNJSNUNSHQAZ-OKZBNKHCSA-N 2 1 319.493 2.265 20 30 DEEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001364634634 1145392765 /nfs/dbraw/zinc/39/27/65/1145392765.db2.gz JCCDTGFICPIGAH-VDGAXYAQSA-N 2 1 324.472 2.457 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001284620159 1145880277 /nfs/dbraw/zinc/88/02/77/1145880277.db2.gz XPTMOPXEDQKINP-IRXDYDNUSA-N 2 1 321.509 2.252 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966558 1147023606 /nfs/dbraw/zinc/02/36/06/1147023606.db2.gz GGIVOZWUNTVSSI-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCCCCCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001307459989 1147427825 /nfs/dbraw/zinc/42/78/25/1147427825.db2.gz AETVSCZGZKHMDX-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001316802198 1147602116 /nfs/dbraw/zinc/60/21/16/1147602116.db2.gz HSRIPRZEOWYHEG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001316802198 1147602118 /nfs/dbraw/zinc/60/21/18/1147602118.db2.gz HSRIPRZEOWYHEG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001316802198 1147602120 /nfs/dbraw/zinc/60/21/20/1147602120.db2.gz HSRIPRZEOWYHEG-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001316904586 1147627948 /nfs/dbraw/zinc/62/79/48/1147627948.db2.gz SISKPCBVYLZXDQ-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001316904586 1147627950 /nfs/dbraw/zinc/62/79/50/1147627950.db2.gz SISKPCBVYLZXDQ-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001316954712 1147638811 /nfs/dbraw/zinc/63/88/11/1147638811.db2.gz OGELXPUGUIUPGA-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001316954712 1147638815 /nfs/dbraw/zinc/63/88/15/1147638815.db2.gz OGELXPUGUIUPGA-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001316954712 1147638818 /nfs/dbraw/zinc/63/88/18/1147638818.db2.gz OGELXPUGUIUPGA-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317173375 1147670655 /nfs/dbraw/zinc/67/06/55/1147670655.db2.gz KYYNZKKLUDXZGK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317173375 1147670656 /nfs/dbraw/zinc/67/06/56/1147670656.db2.gz KYYNZKKLUDXZGK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317173375 1147670657 /nfs/dbraw/zinc/67/06/57/1147670657.db2.gz KYYNZKKLUDXZGK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317173375 1147670658 /nfs/dbraw/zinc/67/06/58/1147670658.db2.gz KYYNZKKLUDXZGK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317323264 1147690541 /nfs/dbraw/zinc/69/05/41/1147690541.db2.gz UPIOPKUSFHFFHD-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001367417104 1147691381 /nfs/dbraw/zinc/69/13/81/1147691381.db2.gz HRFVVOVZKNSPNV-CQSZACIVSA-N 2 1 312.845 2.065 20 30 DEEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317406418 1147702221 /nfs/dbraw/zinc/70/22/21/1147702221.db2.gz SETGAIVKHBMDSP-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001324896803 1147856407 /nfs/dbraw/zinc/85/64/07/1147856407.db2.gz ABIWRFOVDHIFEH-IBGZPJMESA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001325655099 1147976808 /nfs/dbraw/zinc/97/68/08/1147976808.db2.gz AYUPUHIPWDBSDV-KZNAEPCWSA-N 2 1 319.493 2.006 20 30 DEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000320581921 231194983 /nfs/dbraw/zinc/19/49/83/231194983.db2.gz VNFYRRKTEZDKBU-CQSZACIVSA-N 2 1 314.433 2.159 20 30 DEEDMP C=C(C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000268553649 539794700 /nfs/dbraw/zinc/79/47/00/539794700.db2.gz MYRDCPQSMAANPF-UHFFFAOYSA-N 2 1 323.444 2.031 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000581602903 357214227 /nfs/dbraw/zinc/21/42/27/357214227.db2.gz ZPSIAPYUZPRPEG-SFHVURJKSA-N 2 1 306.425 2.359 20 30 DEEDMP CCCn1ccnc1CCC[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598611642 359260309 /nfs/dbraw/zinc/26/03/09/359260309.db2.gz VHPLWIZSLRFOGX-OAHLLOKOSA-N 2 1 306.454 2.458 20 30 DEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598611642 359260313 /nfs/dbraw/zinc/26/03/13/359260313.db2.gz VHPLWIZSLRFOGX-OAHLLOKOSA-N 2 1 306.454 2.458 20 30 DEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598611642 359260319 /nfs/dbraw/zinc/26/03/19/359260319.db2.gz VHPLWIZSLRFOGX-OAHLLOKOSA-N 2 1 306.454 2.458 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254730 1148755376 /nfs/dbraw/zinc/75/53/76/1148755376.db2.gz GACBPTHCUNBZSX-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254730 1148755363 /nfs/dbraw/zinc/75/53/63/1148755363.db2.gz GACBPTHCUNBZSX-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000136583752 401969274 /nfs/dbraw/zinc/96/92/74/401969274.db2.gz HAINIRWYSWLKBL-IRXDYDNUSA-N 2 1 319.474 2.477 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000106034070 402211874 /nfs/dbraw/zinc/21/18/74/402211874.db2.gz USRJLXHPMWUJBG-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000106034070 402211876 /nfs/dbraw/zinc/21/18/76/402211876.db2.gz USRJLXHPMWUJBG-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158295442 402303939 /nfs/dbraw/zinc/30/39/39/402303939.db2.gz UAGOOGYDPLMZFH-SWLSCSKDSA-N 2 1 323.510 2.235 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176947248 402353503 /nfs/dbraw/zinc/35/35/03/402353503.db2.gz NOFWUCFMYRRRDN-UHFFFAOYSA-N 2 1 306.479 2.127 20 30 DEEDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000181705035 402654642 /nfs/dbraw/zinc/65/46/42/402654642.db2.gz WWDAYUMRAJSODW-INIZCTEOSA-N 2 1 300.450 2.236 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)Cc1nccn1CC(F)(F)F ZINC000411640436 403921451 /nfs/dbraw/zinc/92/14/51/403921451.db2.gz KNZNOBNFMBJFFO-UHFFFAOYSA-N 2 1 304.360 2.385 20 30 DEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328658166 404127238 /nfs/dbraw/zinc/12/72/38/404127238.db2.gz QOGOSYRCUOXYPN-KBMXLJTQSA-N 2 1 317.433 2.397 20 30 DEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328658166 404127245 /nfs/dbraw/zinc/12/72/45/404127245.db2.gz QOGOSYRCUOXYPN-KBMXLJTQSA-N 2 1 317.433 2.397 20 30 DEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800390 404456735 /nfs/dbraw/zinc/45/67/35/404456735.db2.gz INESAEMIGJZIPQ-DOMZBBRYSA-N 2 1 322.497 2.282 20 30 DEEDMP C=C(C)C[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352752353 404595007 /nfs/dbraw/zinc/59/50/07/404595007.db2.gz YCOVCDYMHFIOBH-UHFFFAOYSA-N 2 1 308.495 2.335 20 30 DEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414692535 404709789 /nfs/dbraw/zinc/70/97/89/404709789.db2.gz QKNJTJIOIJLOPH-HNNXBMFYSA-N 2 1 319.424 2.011 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000638523385 405525803 /nfs/dbraw/zinc/52/58/03/405525803.db2.gz ARRHTGWQIRLHEZ-RCCFBDPRSA-N 2 1 308.466 2.343 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000569212706 406225108 /nfs/dbraw/zinc/22/51/08/406225108.db2.gz HZGRHAVDMSTAGE-SFHVURJKSA-N 2 1 318.461 2.283 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000569803960 406304614 /nfs/dbraw/zinc/30/46/14/406304614.db2.gz GTCPLBAIUWYVEC-KBAYOESNSA-N 2 1 318.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000576936394 406834201 /nfs/dbraw/zinc/83/42/01/406834201.db2.gz NEJVDSIAZLPYIF-GOSISDBHSA-N 2 1 318.461 2.365 20 30 DEEDMP COc1ccccc1[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000262667922 225280630 /nfs/dbraw/zinc/28/06/30/225280630.db2.gz PSJYCUVQGJOMGB-GDBMZVCRSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001423327149 1173242548 /nfs/dbraw/zinc/24/25/48/1173242548.db2.gz RXEJFPLCFRUOGV-KGLIPLIRSA-N 2 1 315.889 2.296 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595747 276378111 /nfs/dbraw/zinc/37/81/11/276378111.db2.gz VZEDGSNCWQRILI-DLBZAZTESA-N 2 1 317.481 2.210 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001376914981 1159844866 /nfs/dbraw/zinc/84/48/66/1159844866.db2.gz VHTUOHNQSSMBLH-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001357582477 1152314931 /nfs/dbraw/zinc/31/49/31/1152314931.db2.gz WTHVJRQTTYAEMX-HYVNUMGLSA-N 2 1 305.466 2.145 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001329935710 1149018950 /nfs/dbraw/zinc/01/89/50/1149018950.db2.gz GKZAGPPYTYTMER-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329935710 1149018957 /nfs/dbraw/zinc/01/89/57/1149018957.db2.gz GKZAGPPYTYTMER-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329935710 1149018964 /nfs/dbraw/zinc/01/89/64/1149018964.db2.gz GKZAGPPYTYTMER-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000337282370 522746767 /nfs/dbraw/zinc/74/67/67/522746767.db2.gz XJNRESDVYMRUPG-UHFFFAOYSA-N 2 1 314.433 2.305 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261749002 526370536 /nfs/dbraw/zinc/37/05/36/526370536.db2.gz LOYMJTKRTXRDHX-ARFHVFGLSA-N 2 1 324.513 2.085 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)Cc1cccn1C ZINC000262000708 526374739 /nfs/dbraw/zinc/37/47/39/526374739.db2.gz UIPUEFVASMKJPG-HOTGVXAUSA-N 2 1 319.497 2.295 20 30 DEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC(C)(C)c1cccs1 ZINC000262487770 526377300 /nfs/dbraw/zinc/37/73/00/526377300.db2.gz ITLOJHRUOXQTLL-CYBMUJFWSA-N 2 1 308.495 2.142 20 30 DEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H](C)c1ccc(C)o1 ZINC000262769434 526379264 /nfs/dbraw/zinc/37/92/64/526379264.db2.gz IFLZRDVKRRBNES-CZUORRHYSA-N 2 1 324.494 2.251 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447950093 526434184 /nfs/dbraw/zinc/43/41/84/526434184.db2.gz FKAKHRWWBLMPFL-INIZCTEOSA-N 2 1 322.497 2.056 20 30 DEEDMP C#CCNC(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)=[NH+]CC ZINC000262619142 526914623 /nfs/dbraw/zinc/91/46/23/526914623.db2.gz FMRKKHSHFTWWJG-UHFFFAOYSA-N 2 1 313.380 2.008 20 30 DEEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444611557 528084414 /nfs/dbraw/zinc/08/44/14/528084414.db2.gz RSIGVYWGORQOLB-UHFFFAOYSA-N 2 1 322.497 2.192 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264078802 528256012 /nfs/dbraw/zinc/25/60/12/528256012.db2.gz GPRMUNFHYZPCML-CYBMUJFWSA-N 2 1 320.437 2.162 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436129 529073790 /nfs/dbraw/zinc/07/37/90/529073790.db2.gz NUWWQIIYHHYSKD-UONOGXRCSA-N 2 1 308.495 2.315 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161813 529100118 /nfs/dbraw/zinc/10/01/18/529100118.db2.gz SOJSLLFPXJZBEC-LBPRGKRZSA-N 2 1 324.469 2.436 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001379588294 1152647308 /nfs/dbraw/zinc/64/73/08/1152647308.db2.gz SNVMXZKGZFTEJD-UKRRQHHQSA-N 2 1 324.856 2.303 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632932 625364786 /nfs/dbraw/zinc/36/47/86/625364786.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632932 625364790 /nfs/dbraw/zinc/36/47/90/625364790.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632932 625364794 /nfs/dbraw/zinc/36/47/94/625364794.db2.gz RXEXBWROXDAGKX-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]12 ZINC001026369161 625367158 /nfs/dbraw/zinc/36/71/58/625367158.db2.gz ULSOZMRFUMYCHM-OWCLPIDISA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023762228 625428304 /nfs/dbraw/zinc/42/83/04/625428304.db2.gz UQWOFJDKJKQSNF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023762228 625428305 /nfs/dbraw/zinc/42/83/05/625428305.db2.gz UQWOFJDKJKQSNF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684972 625439555 /nfs/dbraw/zinc/43/95/55/625439555.db2.gz KNWYJWONILLIJM-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468322 625462449 /nfs/dbraw/zinc/46/24/49/625462449.db2.gz INZYKDSQECHNBM-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436721 624038043 /nfs/dbraw/zinc/03/80/43/624038043.db2.gz MBRFCZJAIXZVLD-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971564630 624187623 /nfs/dbraw/zinc/18/76/23/624187623.db2.gz ZGAVYUJZYACMEG-GJZGRUSLSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971564630 624187624 /nfs/dbraw/zinc/18/76/24/624187624.db2.gz ZGAVYUJZYACMEG-GJZGRUSLSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926344877 624771254 /nfs/dbraw/zinc/77/12/54/624771254.db2.gz ZFJRPQZQKDZRMS-AJYUKVHDSA-N 2 1 308.466 2.199 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692365 634446617 /nfs/dbraw/zinc/44/66/17/634446617.db2.gz GUMNMOANBSCKLZ-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501654 625823831 /nfs/dbraw/zinc/82/38/31/625823831.db2.gz HDBYWWXSJIWXSO-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522062 625835843 /nfs/dbraw/zinc/83/58/43/625835843.db2.gz YTALVLSKTNRUDE-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999203546 634515469 /nfs/dbraw/zinc/51/54/69/634515469.db2.gz BYFRNFZEWPQOEK-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999350901 634569714 /nfs/dbraw/zinc/56/97/14/634569714.db2.gz CKHULEDUWXGAOB-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261743 634826611 /nfs/dbraw/zinc/82/66/11/634826611.db2.gz UJLCOSGWCIPMMS-RDJZCZTQSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691717 632927519 /nfs/dbraw/zinc/92/75/19/632927519.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691717 632927521 /nfs/dbraw/zinc/92/75/21/632927521.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691717 632927525 /nfs/dbraw/zinc/92/75/25/632927525.db2.gz AAPHSAUWXQPTJT-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995921866 633140890 /nfs/dbraw/zinc/14/08/90/633140890.db2.gz ZAOYERYOBNODGQ-CQSZACIVSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974577858 633156339 /nfs/dbraw/zinc/15/63/39/633156339.db2.gz OFHDHZKPFOBONT-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974779746 633301597 /nfs/dbraw/zinc/30/15/97/633301597.db2.gz YOQWZUNKHOUIFU-HNNXBMFYSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398419 /nfs/dbraw/zinc/39/84/19/633398419.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)CN2CCC[C@H]2C)C(C)(C)C1 ZINC000975048492 633398424 /nfs/dbraw/zinc/39/84/24/633398424.db2.gz IORFZUQSLVXIJF-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997126892 633612981 /nfs/dbraw/zinc/61/29/81/633612981.db2.gz GHLOSZJHPIVIET-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997179479 633665444 /nfs/dbraw/zinc/66/54/44/633665444.db2.gz BAZNPTLCIRRYAH-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027442130 633795400 /nfs/dbraw/zinc/79/54/00/633795400.db2.gz BCWWTRZOXWJJKU-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027442130 633795408 /nfs/dbraw/zinc/79/54/08/633795408.db2.gz BCWWTRZOXWJJKU-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027442130 633795411 /nfs/dbraw/zinc/79/54/11/633795411.db2.gz BCWWTRZOXWJJKU-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477226 633859435 /nfs/dbraw/zinc/85/94/35/633859435.db2.gz CTZDVKUDUUQGMI-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502169 634015872 /nfs/dbraw/zinc/01/58/72/634015872.db2.gz TYPCMFYLLZQDCV-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502169 634015878 /nfs/dbraw/zinc/01/58/78/634015878.db2.gz TYPCMFYLLZQDCV-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027545751 634071388 /nfs/dbraw/zinc/07/13/88/634071388.db2.gz FGECYBJIJLKQMQ-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951763 634073324 /nfs/dbraw/zinc/07/33/24/634073324.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951763 634073326 /nfs/dbraw/zinc/07/33/26/634073326.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951763 634073334 /nfs/dbraw/zinc/07/33/34/634073334.db2.gz ZSOCWYRHGONGPP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018589 634115061 /nfs/dbraw/zinc/11/50/61/634115061.db2.gz VUJAZCLTFMSLDC-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998187180 634163409 /nfs/dbraw/zinc/16/34/09/634163409.db2.gz DSCIQBBMSIRNRK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998187180 634163414 /nfs/dbraw/zinc/16/34/14/634163414.db2.gz DSCIQBBMSIRNRK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998187180 634163416 /nfs/dbraw/zinc/16/34/16/634163416.db2.gz DSCIQBBMSIRNRK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602071 634255954 /nfs/dbraw/zinc/25/59/54/634255954.db2.gz KRCCBLYJKWBQCF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187062 634884008 /nfs/dbraw/zinc/88/40/08/634884008.db2.gz QFPFZLQERNPOEY-KSZLIROESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC000981197804 635357214 /nfs/dbraw/zinc/35/72/14/635357214.db2.gz PIUCNIBMPVKMID-HNNXBMFYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197804 635357221 /nfs/dbraw/zinc/35/72/21/635357221.db2.gz PIUCNIBMPVKMID-HNNXBMFYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332354 635439133 /nfs/dbraw/zinc/43/91/33/635439133.db2.gz UZGCBPADJBGOMN-INIZCTEOSA-N 2 1 316.449 2.261 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332354 635439136 /nfs/dbraw/zinc/43/91/36/635439136.db2.gz UZGCBPADJBGOMN-INIZCTEOSA-N 2 1 316.449 2.261 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001473366 635504218 /nfs/dbraw/zinc/50/42/18/635504218.db2.gz JGZVQOGFFJZZKV-SFHVURJKSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000981932949 635736951 /nfs/dbraw/zinc/73/69/51/635736951.db2.gz GACMQOREXQFFLE-HNNXBMFYSA-N 2 1 316.449 2.330 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081725 635863303 /nfs/dbraw/zinc/86/33/03/635863303.db2.gz XUNFAOHGAYCAMR-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160966 635893632 /nfs/dbraw/zinc/89/36/32/635893632.db2.gz IASPTOLTNXDBQU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160966 635893635 /nfs/dbraw/zinc/89/36/35/635893635.db2.gz IASPTOLTNXDBQU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160966 635893637 /nfs/dbraw/zinc/89/36/37/635893637.db2.gz IASPTOLTNXDBQU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982220961 635911911 /nfs/dbraw/zinc/91/19/11/635911911.db2.gz DIFOCZWYZTUDHT-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235117 635936919 /nfs/dbraw/zinc/93/69/19/635936919.db2.gz QLEJXBCYMDVJRU-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574479 635940704 /nfs/dbraw/zinc/94/07/04/635940704.db2.gz FQXSVJMCSVTBGB-JKSUJKDBSA-N 2 1 300.450 2.105 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308448 635961425 /nfs/dbraw/zinc/96/14/25/635961425.db2.gz ZGEPZSFPGLZZDA-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308448 635961427 /nfs/dbraw/zinc/96/14/27/635961427.db2.gz ZGEPZSFPGLZZDA-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308448 635961431 /nfs/dbraw/zinc/96/14/31/635961431.db2.gz ZGEPZSFPGLZZDA-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003494585 635980809 /nfs/dbraw/zinc/98/08/09/635980809.db2.gz GUGCEFCRXGCSRE-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003494585 635980812 /nfs/dbraw/zinc/98/08/12/635980812.db2.gz GUGCEFCRXGCSRE-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003494585 635980816 /nfs/dbraw/zinc/98/08/16/635980816.db2.gz GUGCEFCRXGCSRE-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000982374926 635998925 /nfs/dbraw/zinc/99/89/25/635998925.db2.gz WHHJUDPKYPAGDK-KDURUIRLSA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001004586460 636494744 /nfs/dbraw/zinc/49/47/44/636494744.db2.gz TUEOYGXXVGTWIC-INIZCTEOSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617124 636503801 /nfs/dbraw/zinc/50/38/01/636503801.db2.gz OSGXXQQAMBQQEW-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028646973 636543633 /nfs/dbraw/zinc/54/36/33/636543633.db2.gz CAEJBVAZNUUYQJ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646973 636543635 /nfs/dbraw/zinc/54/36/35/636543635.db2.gz CAEJBVAZNUUYQJ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646973 636543638 /nfs/dbraw/zinc/54/36/38/636543638.db2.gz CAEJBVAZNUUYQJ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779192 636646552 /nfs/dbraw/zinc/64/65/52/636646552.db2.gz JJVVVGGKSNIHFQ-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779192 636646555 /nfs/dbraw/zinc/64/65/55/636646555.db2.gz JJVVVGGKSNIHFQ-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028767270 636719358 /nfs/dbraw/zinc/71/93/58/636719358.db2.gz MSXNNTLCVVYRGJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028767270 636719364 /nfs/dbraw/zinc/71/93/64/636719364.db2.gz MSXNNTLCVVYRGJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028767270 636719368 /nfs/dbraw/zinc/71/93/68/636719368.db2.gz MSXNNTLCVVYRGJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503207 636752861 /nfs/dbraw/zinc/75/28/61/636752861.db2.gz IUPLPZJZQKWHPG-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946901739 637184269 /nfs/dbraw/zinc/18/42/69/637184269.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946901739 637184274 /nfs/dbraw/zinc/18/42/74/637184274.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946901739 637184277 /nfs/dbraw/zinc/18/42/77/637184277.db2.gz DMYIGFFAHRYVAZ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000923556383 637247419 /nfs/dbraw/zinc/24/74/19/637247419.db2.gz WPHOKJZXNIKCHV-KRWDZBQOSA-N 2 1 324.428 2.118 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000923556383 637247422 /nfs/dbraw/zinc/24/74/22/637247422.db2.gz WPHOKJZXNIKCHV-KRWDZBQOSA-N 2 1 324.428 2.118 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895098360 637554116 /nfs/dbraw/zinc/55/41/16/637554116.db2.gz JXDDMTDYRNSUMI-YTQUADARSA-N 2 1 300.446 2.261 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000838997454 637734101 /nfs/dbraw/zinc/73/41/01/637734101.db2.gz QEXVHMJAHZINKU-HNNXBMFYSA-N 2 1 310.401 2.285 20 30 DEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150225 650660712 /nfs/dbraw/zinc/66/07/12/650660712.db2.gz OTGRAFODRDZPGZ-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150225 650660713 /nfs/dbraw/zinc/66/07/13/650660713.db2.gz OTGRAFODRDZPGZ-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150225 650660714 /nfs/dbraw/zinc/66/07/14/650660714.db2.gz OTGRAFODRDZPGZ-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150225 650660717 /nfs/dbraw/zinc/66/07/17/650660717.db2.gz OTGRAFODRDZPGZ-ROUUACIJSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779224 643459300 /nfs/dbraw/zinc/45/93/00/643459300.db2.gz WRAYZJKTHKSNMB-GOSISDBHSA-N 2 1 313.445 2.191 20 30 DEEDMP C#CCCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000788432858 643607820 /nfs/dbraw/zinc/60/78/20/643607820.db2.gz TVCIHNYNVPETIP-UHFFFAOYSA-N 2 1 316.445 2.025 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000929781627 647126608 /nfs/dbraw/zinc/12/66/08/647126608.db2.gz ZYISFACCLITFMQ-UHFFFAOYSA-N 2 1 313.445 2.413 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000929781627 647126613 /nfs/dbraw/zinc/12/66/13/647126613.db2.gz ZYISFACCLITFMQ-UHFFFAOYSA-N 2 1 313.445 2.413 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000732307811 647560083 /nfs/dbraw/zinc/56/00/83/647560083.db2.gz NIELQINEOKDIKF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000732307811 647560085 /nfs/dbraw/zinc/56/00/85/647560085.db2.gz NIELQINEOKDIKF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCC)CC1 ZINC000732307811 647560089 /nfs/dbraw/zinc/56/00/89/647560089.db2.gz NIELQINEOKDIKF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCC)CC1 ZINC000732307811 647560090 /nfs/dbraw/zinc/56/00/90/647560090.db2.gz NIELQINEOKDIKF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCN1CCC[C@@H](NC(=O)c2sccc2CN(C)C)[C@H]1C ZINC000993399357 647649219 /nfs/dbraw/zinc/64/92/19/647649219.db2.gz SSQMEONJHXOFQI-UKRRQHHQSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994273233 647892111 /nfs/dbraw/zinc/89/21/11/647892111.db2.gz ZDROFMUPQBLGDV-HOCLYGCPSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273233 647892114 /nfs/dbraw/zinc/89/21/14/647892114.db2.gz ZDROFMUPQBLGDV-HOCLYGCPSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273233 647892117 /nfs/dbraw/zinc/89/21/17/647892117.db2.gz ZDROFMUPQBLGDV-HOCLYGCPSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785078 648941216 /nfs/dbraw/zinc/94/12/16/648941216.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785078 648941220 /nfs/dbraw/zinc/94/12/20/648941220.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785078 648941223 /nfs/dbraw/zinc/94/12/23/648941223.db2.gz HBFGFMLNZGVSJO-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945258 648976009 /nfs/dbraw/zinc/97/60/09/648976009.db2.gz ZKIJFZMKNYWUGW-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027309 648988571 /nfs/dbraw/zinc/98/85/71/648988571.db2.gz VFKUNFJZYAWHGB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027309 648988574 /nfs/dbraw/zinc/98/85/74/648988574.db2.gz VFKUNFJZYAWHGB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027309 648988578 /nfs/dbraw/zinc/98/85/78/648988578.db2.gz VFKUNFJZYAWHGB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203907 649182990 /nfs/dbraw/zinc/18/29/90/649182990.db2.gz LIYNYXLTKJWPOA-GUYCJALGSA-N 2 1 312.417 2.269 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948426452 649193273 /nfs/dbraw/zinc/19/32/73/649193273.db2.gz YERTXDKURFBRKS-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948426452 649193274 /nfs/dbraw/zinc/19/32/74/649193274.db2.gz YERTXDKURFBRKS-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948426452 649193275 /nfs/dbraw/zinc/19/32/75/649193275.db2.gz YERTXDKURFBRKS-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028578 649600069 /nfs/dbraw/zinc/60/00/69/649600069.db2.gz JTYLEOXMSVDVAT-QAPCUYQASA-N 2 1 315.461 2.374 20 30 DEEDMP C#CCCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583885 651954383 /nfs/dbraw/zinc/95/43/83/651954383.db2.gz BCPDFFGYGGOABM-SFHVURJKSA-N 2 1 301.434 2.400 20 30 DEEDMP C#CCCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583885 651954386 /nfs/dbraw/zinc/95/43/86/651954386.db2.gz BCPDFFGYGGOABM-SFHVURJKSA-N 2 1 301.434 2.400 20 30 DEEDMP C#CCCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583885 651954388 /nfs/dbraw/zinc/95/43/88/651954388.db2.gz BCPDFFGYGGOABM-SFHVURJKSA-N 2 1 301.434 2.400 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391353836 1156352233 /nfs/dbraw/zinc/35/22/33/1156352233.db2.gz MIXKATKTSWLQGF-GJZGRUSLSA-N 2 1 315.889 2.105 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099461 693843913 /nfs/dbraw/zinc/84/39/13/693843913.db2.gz IWAKHCQZUIJUCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099461 693843916 /nfs/dbraw/zinc/84/39/16/693843916.db2.gz IWAKHCQZUIJUCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099461 693843918 /nfs/dbraw/zinc/84/39/18/693843918.db2.gz IWAKHCQZUIJUCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145483 693861823 /nfs/dbraw/zinc/86/18/23/693861823.db2.gz QRLGNRWDMBLVFH-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153606 693864972 /nfs/dbraw/zinc/86/49/72/693864972.db2.gz UXZQHTQXCQCWAC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153606 693864975 /nfs/dbraw/zinc/86/49/75/693864975.db2.gz UXZQHTQXCQCWAC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153606 693864979 /nfs/dbraw/zinc/86/49/79/693864979.db2.gz UXZQHTQXCQCWAC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227125 693891028 /nfs/dbraw/zinc/89/10/28/693891028.db2.gz DTGDTKDKWYUESX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227125 693891034 /nfs/dbraw/zinc/89/10/34/693891034.db2.gz DTGDTKDKWYUESX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227125 693891041 /nfs/dbraw/zinc/89/10/41/693891041.db2.gz DTGDTKDKWYUESX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054238935 693894555 /nfs/dbraw/zinc/89/45/55/693894555.db2.gz BZMUJWNQBXYFJW-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054238935 693894557 /nfs/dbraw/zinc/89/45/57/693894557.db2.gz BZMUJWNQBXYFJW-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054238935 693894560 /nfs/dbraw/zinc/89/45/60/693894560.db2.gz BZMUJWNQBXYFJW-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCC(C)C)[NH+]1CCCC1 ZINC000303786457 685235197 /nfs/dbraw/zinc/23/51/97/685235197.db2.gz RKSCNITWLYDQJA-INIZCTEOSA-N 2 1 318.465 2.392 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000929960524 694059422 /nfs/dbraw/zinc/05/94/22/694059422.db2.gz FQWGOBSAVUAAPI-UHFFFAOYSA-N 2 1 313.445 2.459 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015978276 687489246 /nfs/dbraw/zinc/48/92/46/687489246.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015978276 687489249 /nfs/dbraw/zinc/48/92/49/687489249.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015978276 687489254 /nfs/dbraw/zinc/48/92/54/687489254.db2.gz YNVNLJIMDJYUJC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016794314 687704594 /nfs/dbraw/zinc/70/45/94/687704594.db2.gz VDRHPNBMBJONNY-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016824766 687711003 /nfs/dbraw/zinc/71/10/03/687711003.db2.gz DXEDTZNMODBUND-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017767110 687955863 /nfs/dbraw/zinc/95/58/63/687955863.db2.gz HHWPXLXYOSUYMX-KSZLIROESA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001031235620 688872257 /nfs/dbraw/zinc/87/22/57/688872257.db2.gz ZGGIAUSOLHQBBF-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001031235620 688872261 /nfs/dbraw/zinc/87/22/61/688872261.db2.gz ZGGIAUSOLHQBBF-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032118040 689066184 /nfs/dbraw/zinc/06/61/84/689066184.db2.gz QEKOHWONAHFEML-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446134 689153457 /nfs/dbraw/zinc/15/34/57/689153457.db2.gz WAUKOAWYUHKQNG-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032446134 689153459 /nfs/dbraw/zinc/15/34/59/689153459.db2.gz WAUKOAWYUHKQNG-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032446134 689153462 /nfs/dbraw/zinc/15/34/62/689153462.db2.gz WAUKOAWYUHKQNG-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628878 689206475 /nfs/dbraw/zinc/20/64/75/689206475.db2.gz MUHIYQRGYQSFDV-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628878 689206477 /nfs/dbraw/zinc/20/64/77/689206477.db2.gz MUHIYQRGYQSFDV-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628878 689206479 /nfs/dbraw/zinc/20/64/79/689206479.db2.gz MUHIYQRGYQSFDV-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628878 689206481 /nfs/dbraw/zinc/20/64/81/689206481.db2.gz MUHIYQRGYQSFDV-RLFYNMQTSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801585 689265076 /nfs/dbraw/zinc/26/50/76/689265076.db2.gz FKYMCJWXJDAXCS-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033084139 689381139 /nfs/dbraw/zinc/38/11/39/689381139.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033084139 689381143 /nfs/dbraw/zinc/38/11/43/689381143.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033084139 689381147 /nfs/dbraw/zinc/38/11/47/689381147.db2.gz WZNWSRDGFGNYRY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033084140 689381608 /nfs/dbraw/zinc/38/16/08/689381608.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033084140 689381611 /nfs/dbraw/zinc/38/16/11/689381611.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033084140 689381614 /nfs/dbraw/zinc/38/16/14/689381614.db2.gz WZNWSRDGFGNYRY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144468 689404132 /nfs/dbraw/zinc/40/41/32/689404132.db2.gz XWDQQTJJYYEHHB-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144468 689404134 /nfs/dbraw/zinc/40/41/34/689404134.db2.gz XWDQQTJJYYEHHB-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144468 689404135 /nfs/dbraw/zinc/40/41/35/689404135.db2.gz XWDQQTJJYYEHHB-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033161149 689409694 /nfs/dbraw/zinc/40/96/94/689409694.db2.gz JUVXJCHOXLFDKQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033161149 689409696 /nfs/dbraw/zinc/40/96/96/689409696.db2.gz JUVXJCHOXLFDKQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033161149 689409698 /nfs/dbraw/zinc/40/96/98/689409698.db2.gz JUVXJCHOXLFDKQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033161149 689409699 /nfs/dbraw/zinc/40/96/99/689409699.db2.gz JUVXJCHOXLFDKQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223691 689429893 /nfs/dbraw/zinc/42/98/93/689429893.db2.gz TVTZVYYKIYRXCU-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223691 689429896 /nfs/dbraw/zinc/42/98/96/689429896.db2.gz TVTZVYYKIYRXCU-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223691 689429897 /nfs/dbraw/zinc/42/98/97/689429897.db2.gz TVTZVYYKIYRXCU-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223624 689430101 /nfs/dbraw/zinc/43/01/01/689430101.db2.gz RUCWLFIEKKRMNO-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223624 689430102 /nfs/dbraw/zinc/43/01/02/689430102.db2.gz RUCWLFIEKKRMNO-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223624 689430103 /nfs/dbraw/zinc/43/01/03/689430103.db2.gz RUCWLFIEKKRMNO-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033934985 689666622 /nfs/dbraw/zinc/66/66/22/689666622.db2.gz OQBIHTQCRQAOPE-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033934985 689666624 /nfs/dbraw/zinc/66/66/24/689666624.db2.gz OQBIHTQCRQAOPE-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033934985 689666627 /nfs/dbraw/zinc/66/66/27/689666627.db2.gz OQBIHTQCRQAOPE-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290950 689797903 /nfs/dbraw/zinc/79/79/03/689797903.db2.gz KWXNFKYDSJOQMD-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369789 689826334 /nfs/dbraw/zinc/82/63/34/689826334.db2.gz VFDWHKWNHMTMTJ-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369789 689826339 /nfs/dbraw/zinc/82/63/39/689826339.db2.gz VFDWHKWNHMTMTJ-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369789 689826341 /nfs/dbraw/zinc/82/63/41/689826341.db2.gz VFDWHKWNHMTMTJ-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034436713 689849955 /nfs/dbraw/zinc/84/99/55/689849955.db2.gz BETULQFOZQIIIK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538246 689891192 /nfs/dbraw/zinc/89/11/92/689891192.db2.gz KBZWERBIDWVKDA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538246 689891193 /nfs/dbraw/zinc/89/11/93/689891193.db2.gz KBZWERBIDWVKDA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538246 689891197 /nfs/dbraw/zinc/89/11/97/689891197.db2.gz KBZWERBIDWVKDA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000876723783 689916150 /nfs/dbraw/zinc/91/61/50/689916150.db2.gz HIVPITZFZFYFGH-CQSZACIVSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659456 689921060 /nfs/dbraw/zinc/92/10/60/689921060.db2.gz VAJFLWLZSIPFAN-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001034733464 689936486 /nfs/dbraw/zinc/93/64/86/689936486.db2.gz COEBGRORLSIJFT-WKILWMFISA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763019 690463614 /nfs/dbraw/zinc/46/36/14/690463614.db2.gz UIMCAQHSZTYEJR-AEFFLSMTSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904369 690522351 /nfs/dbraw/zinc/52/23/51/690522351.db2.gz QXBBLXQHBNTIFL-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037925087 690641724 /nfs/dbraw/zinc/64/17/24/690641724.db2.gz JYVGBQLCMHQSCJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038343257 690788992 /nfs/dbraw/zinc/78/89/92/690788992.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038343257 690788994 /nfs/dbraw/zinc/78/89/94/690788994.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038343257 690788998 /nfs/dbraw/zinc/78/89/98/690788998.db2.gz YOIYEDDKBLVAGI-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038905751 690962225 /nfs/dbraw/zinc/96/22/25/690962225.db2.gz QZTQGCZVLOFLEQ-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039116095 691024207 /nfs/dbraw/zinc/02/42/07/691024207.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116095 691024209 /nfs/dbraw/zinc/02/42/09/691024209.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116095 691024211 /nfs/dbraw/zinc/02/42/11/691024211.db2.gz QLYFZTQBXNSLQD-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136675 691030949 /nfs/dbraw/zinc/03/09/49/691030949.db2.gz NGYKCYSGTBCILK-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174423 691039849 /nfs/dbraw/zinc/03/98/49/691039849.db2.gz VKVZXVHJTXXJQU-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174423 691039853 /nfs/dbraw/zinc/03/98/53/691039853.db2.gz VKVZXVHJTXXJQU-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174423 691039854 /nfs/dbraw/zinc/03/98/54/691039854.db2.gz VKVZXVHJTXXJQU-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039216252 691057231 /nfs/dbraw/zinc/05/72/31/691057231.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216252 691057232 /nfs/dbraw/zinc/05/72/32/691057232.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216252 691057234 /nfs/dbraw/zinc/05/72/34/691057234.db2.gz ZATXDFKPFSPTJO-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224226 691060304 /nfs/dbraw/zinc/06/03/04/691060304.db2.gz DPODJPWFCBHANA-SJORKVTESA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039297903 691076661 /nfs/dbraw/zinc/07/66/61/691076661.db2.gz DCGDDBMGDPQMHY-OOKSDGMUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001039343247 691085612 /nfs/dbraw/zinc/08/56/12/691085612.db2.gz MXSANCXBYUSBKK-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343247 691085616 /nfs/dbraw/zinc/08/56/16/691085616.db2.gz MXSANCXBYUSBKK-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001039343247 691085618 /nfs/dbraw/zinc/08/56/18/691085618.db2.gz MXSANCXBYUSBKK-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434170 691104999 /nfs/dbraw/zinc/10/49/99/691104999.db2.gz BURQUXHJJLGVBZ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434170 691105001 /nfs/dbraw/zinc/10/50/01/691105001.db2.gz BURQUXHJJLGVBZ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434170 691105003 /nfs/dbraw/zinc/10/50/03/691105003.db2.gz BURQUXHJJLGVBZ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039438423 691106326 /nfs/dbraw/zinc/10/63/26/691106326.db2.gz WDDKUPKPEMAIFN-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241933 /nfs/dbraw/zinc/24/19/33/691241933.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241936 /nfs/dbraw/zinc/24/19/36/691241936.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395452 691241938 /nfs/dbraw/zinc/24/19/38/691241938.db2.gz PYINEJARSARNSX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492406 691255562 /nfs/dbraw/zinc/25/55/62/691255562.db2.gz AGOKTNLFFDEOHE-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492406 691255565 /nfs/dbraw/zinc/25/55/65/691255565.db2.gz AGOKTNLFFDEOHE-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492406 691255570 /nfs/dbraw/zinc/25/55/70/691255570.db2.gz AGOKTNLFFDEOHE-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733210 691283503 /nfs/dbraw/zinc/28/35/03/691283503.db2.gz QKWUYTZMBCUORI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040775065 691286747 /nfs/dbraw/zinc/28/67/47/691286747.db2.gz VKTVELYBEUNPEM-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040849267 691292673 /nfs/dbraw/zinc/29/26/73/691292673.db2.gz OQLHVMINYLCXLY-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041374296 691368881 /nfs/dbraw/zinc/36/88/81/691368881.db2.gz DOAAOCHQKFOLLO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041374296 691368884 /nfs/dbraw/zinc/36/88/84/691368884.db2.gz DOAAOCHQKFOLLO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041374296 691368887 /nfs/dbraw/zinc/36/88/87/691368887.db2.gz DOAAOCHQKFOLLO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042157592 691525417 /nfs/dbraw/zinc/52/54/17/691525417.db2.gz SIRZHXMQWKHEJL-PBHICJAKSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042920691 691660070 /nfs/dbraw/zinc/66/00/70/691660070.db2.gz DUGBFRLEGUXFSC-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979911 692067936 /nfs/dbraw/zinc/06/79/36/692067936.db2.gz MPPVSYBALSYGGA-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979911 692067940 /nfs/dbraw/zinc/06/79/40/692067940.db2.gz MPPVSYBALSYGGA-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979911 692067943 /nfs/dbraw/zinc/06/79/43/692067943.db2.gz MPPVSYBALSYGGA-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538232 692641809 /nfs/dbraw/zinc/64/18/09/692641809.db2.gz NCTRRWKUOLXPFE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538232 692641812 /nfs/dbraw/zinc/64/18/12/692641812.db2.gz NCTRRWKUOLXPFE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538232 692641815 /nfs/dbraw/zinc/64/18/15/692641815.db2.gz NCTRRWKUOLXPFE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170688 692779318 /nfs/dbraw/zinc/77/93/18/692779318.db2.gz BLSGBLNJPSUBLM-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589641 692932743 /nfs/dbraw/zinc/93/27/43/692932743.db2.gz AFJSNMBKQHKYOT-QZTJIDSGSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593720 692934964 /nfs/dbraw/zinc/93/49/64/692934964.db2.gz GYHVZOJDJICJHZ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593720 692934965 /nfs/dbraw/zinc/93/49/65/692934965.db2.gz GYHVZOJDJICJHZ-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919241 693046865 /nfs/dbraw/zinc/04/68/65/693046865.db2.gz OFXJAUUMUUFSLA-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919241 693046868 /nfs/dbraw/zinc/04/68/68/693046868.db2.gz OFXJAUUMUUFSLA-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919241 693046870 /nfs/dbraw/zinc/04/68/70/693046870.db2.gz OFXJAUUMUUFSLA-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915123 693047431 /nfs/dbraw/zinc/04/74/31/693047431.db2.gz SOYWJBWRQGUYGR-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001050546240 693204746 /nfs/dbraw/zinc/20/47/46/693204746.db2.gz KVZWUKKCGDQTGI-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050549537 693204998 /nfs/dbraw/zinc/20/49/98/693204998.db2.gz WYKAVZRCXODUJO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395693 693523463 /nfs/dbraw/zinc/52/34/63/693523463.db2.gz YDRRXIZMOLQKSL-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395693 693523468 /nfs/dbraw/zinc/52/34/68/693523468.db2.gz YDRRXIZMOLQKSL-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395693 693523473 /nfs/dbraw/zinc/52/34/73/693523473.db2.gz YDRRXIZMOLQKSL-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291154 1153317328 /nfs/dbraw/zinc/31/73/28/1153317328.db2.gz XPMHVOUKKLBGCW-DNVCBOLYSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001374394213 1157837825 /nfs/dbraw/zinc/83/78/25/1157837825.db2.gz GVUJSKYKIDXYTJ-IUODEOHRSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661340 1160686848 /nfs/dbraw/zinc/68/68/48/1160686848.db2.gz XTVKDGLAXGKNJU-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661340 1160686875 /nfs/dbraw/zinc/68/68/75/1160686875.db2.gz XTVKDGLAXGKNJU-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001418316408 1167571334 /nfs/dbraw/zinc/57/13/34/1167571334.db2.gz IFTBHYPTBHAKMG-HIFRSBDPSA-N 2 1 309.841 2.136 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001422538180 1172688272 /nfs/dbraw/zinc/68/82/72/1172688272.db2.gz GGXHEVRICCHCEA-CQSZACIVSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001424381988 1173776525 /nfs/dbraw/zinc/77/65/25/1173776525.db2.gz NBAMRKVQVLQNSR-UHFFFAOYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424698807 1173875613 /nfs/dbraw/zinc/87/56/13/1173875613.db2.gz HMACRPPJQRMDSS-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424698807 1173875618 /nfs/dbraw/zinc/87/56/18/1173875618.db2.gz HMACRPPJQRMDSS-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424698807 1173875621 /nfs/dbraw/zinc/87/56/21/1173875621.db2.gz HMACRPPJQRMDSS-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424698807 1173875622 /nfs/dbraw/zinc/87/56/22/1173875622.db2.gz HMACRPPJQRMDSS-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001437836872 1180023050 /nfs/dbraw/zinc/02/30/50/1180023050.db2.gz AUWCWYJSOYZLBS-ZFWWWQNUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001438770292 1180808734 /nfs/dbraw/zinc/80/87/34/1180808734.db2.gz LLXRAYMUOVGTAJ-HUUCEWRRSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001441212614 1181896511 /nfs/dbraw/zinc/89/65/11/1181896511.db2.gz UEHBSBBSULVLAD-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001442818623 1182725291 /nfs/dbraw/zinc/72/52/91/1182725291.db2.gz GWAAVRCJFSUBJL-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001442818623 1182725299 /nfs/dbraw/zinc/72/52/99/1182725299.db2.gz GWAAVRCJFSUBJL-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357104 782797450 /nfs/dbraw/zinc/79/74/50/782797450.db2.gz RRLFKSPNESQVNP-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401071 783068883 /nfs/dbraw/zinc/06/88/83/783068883.db2.gz OMYCEZMAIOSDMV-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401071 783068887 /nfs/dbraw/zinc/06/88/87/783068887.db2.gz OMYCEZMAIOSDMV-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401071 783068890 /nfs/dbraw/zinc/06/88/90/783068890.db2.gz OMYCEZMAIOSDMV-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437324 783135795 /nfs/dbraw/zinc/13/57/95/783135795.db2.gz QNYTWYUVRORXOV-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560241 783208517 /nfs/dbraw/zinc/20/85/17/783208517.db2.gz XFJIGDKXAZXHRM-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560241 783208523 /nfs/dbraw/zinc/20/85/23/783208523.db2.gz XFJIGDKXAZXHRM-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560241 783208532 /nfs/dbraw/zinc/20/85/32/783208532.db2.gz XFJIGDKXAZXHRM-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971523668 777131036 /nfs/dbraw/zinc/13/10/36/777131036.db2.gz XJSLXJDOSYPSDL-LSDHHAIUSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971523668 777131039 /nfs/dbraw/zinc/13/10/39/777131039.db2.gz XJSLXJDOSYPSDL-LSDHHAIUSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971523668 777131041 /nfs/dbraw/zinc/13/10/41/777131041.db2.gz XJSLXJDOSYPSDL-LSDHHAIUSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971523668 777131042 /nfs/dbraw/zinc/13/10/42/777131042.db2.gz XJSLXJDOSYPSDL-LSDHHAIUSA-N 2 1 313.873 2.144 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683613 778021524 /nfs/dbraw/zinc/02/15/24/778021524.db2.gz NOCDFDMRKLCNJB-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171121534 790693339 /nfs/dbraw/zinc/69/33/39/790693339.db2.gz UTLBTGYURLMHGY-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577888 779359742 /nfs/dbraw/zinc/35/97/42/779359742.db2.gz OSFGRQPFTHOKRL-WCXIOVBPSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577888 779359751 /nfs/dbraw/zinc/35/97/51/779359751.db2.gz OSFGRQPFTHOKRL-WCXIOVBPSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577888 779359758 /nfs/dbraw/zinc/35/97/58/779359758.db2.gz OSFGRQPFTHOKRL-WCXIOVBPSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634565 779387447 /nfs/dbraw/zinc/38/74/47/779387447.db2.gz HNWUMXMXKPUVQD-ZWKOTPCHSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773483 779447471 /nfs/dbraw/zinc/44/74/71/779447471.db2.gz QANHBORDOGHQCU-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993502 779620391 /nfs/dbraw/zinc/62/03/91/779620391.db2.gz QJUGPRJNJIKRRC-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993502 779620395 /nfs/dbraw/zinc/62/03/95/779620395.db2.gz QJUGPRJNJIKRRC-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993502 779620407 /nfs/dbraw/zinc/62/04/07/779620407.db2.gz QJUGPRJNJIKRRC-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706141 /nfs/dbraw/zinc/70/61/41/779706141.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706148 /nfs/dbraw/zinc/70/61/48/779706148.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106694 779706150 /nfs/dbraw/zinc/70/61/50/779706150.db2.gz MOCQVGMWNVPYQI-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000985501080 779876060 /nfs/dbraw/zinc/87/60/60/779876060.db2.gz IHOHVSYBJMIMRO-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000985501080 779876063 /nfs/dbraw/zinc/87/60/63/779876063.db2.gz IHOHVSYBJMIMRO-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000985501080 779876071 /nfs/dbraw/zinc/87/60/71/779876071.db2.gz IHOHVSYBJMIMRO-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001088381246 780050151 /nfs/dbraw/zinc/05/01/51/780050151.db2.gz AIWNVOFMUISSMU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001088413316 780087984 /nfs/dbraw/zinc/08/79/84/780087984.db2.gz CSCWEOPTIUSKAI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989324 780690906 /nfs/dbraw/zinc/69/09/06/780690906.db2.gz STDOWRMFYNREIC-JEYLPNPQSA-N 2 1 304.438 2.031 20 30 DEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575192 780773278 /nfs/dbraw/zinc/77/32/78/780773278.db2.gz UNONEKXXRSIQBF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168334778 780851601 /nfs/dbraw/zinc/85/16/01/780851601.db2.gz WTTVEYDRCHOXIP-FHERZECASA-N 2 1 309.454 2.236 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641334 783311086 /nfs/dbraw/zinc/31/10/86/783311086.db2.gz KVDIUJYOXUPOAW-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734452 783399649 /nfs/dbraw/zinc/39/96/49/783399649.db2.gz QPUNSXOCNLLWHK-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734452 783399659 /nfs/dbraw/zinc/39/96/59/783399659.db2.gz QPUNSXOCNLLWHK-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734452 783399670 /nfs/dbraw/zinc/39/96/70/783399670.db2.gz QPUNSXOCNLLWHK-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734452 783399680 /nfs/dbraw/zinc/39/96/80/783399680.db2.gz QPUNSXOCNLLWHK-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365553 783440472 /nfs/dbraw/zinc/44/04/72/783440472.db2.gz QHPSZRJTFBKSLF-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365553 783440476 /nfs/dbraw/zinc/44/04/76/783440476.db2.gz QHPSZRJTFBKSLF-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365553 783440478 /nfs/dbraw/zinc/44/04/78/783440478.db2.gz QHPSZRJTFBKSLF-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620264 783532677 /nfs/dbraw/zinc/53/26/77/783532677.db2.gz CLCIPFUELQYASI-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085204031 783580284 /nfs/dbraw/zinc/58/02/84/783580284.db2.gz QFUXLHVLJLKCPC-KBUPBQIOSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598234 783871421 /nfs/dbraw/zinc/87/14/21/783871421.db2.gz PLCRFYBBHRLKKE-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598234 783871427 /nfs/dbraw/zinc/87/14/27/783871427.db2.gz PLCRFYBBHRLKKE-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598234 783871434 /nfs/dbraw/zinc/87/14/34/783871434.db2.gz PLCRFYBBHRLKKE-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598234 783871437 /nfs/dbraw/zinc/87/14/37/783871437.db2.gz PLCRFYBBHRLKKE-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639222 783915325 /nfs/dbraw/zinc/91/53/25/783915325.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639222 783915332 /nfs/dbraw/zinc/91/53/32/783915332.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639222 783915342 /nfs/dbraw/zinc/91/53/42/783915342.db2.gz KVEIOCANFYTRJC-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266063 783916282 /nfs/dbraw/zinc/91/62/82/783916282.db2.gz ZKNCYZDXCWHWPH-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688589 783966681 /nfs/dbraw/zinc/96/66/81/783966681.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688589 783966685 /nfs/dbraw/zinc/96/66/85/783966685.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688589 783966687 /nfs/dbraw/zinc/96/66/87/783966687.db2.gz NQCXXYIYUUVTER-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460568 784399453 /nfs/dbraw/zinc/39/94/53/784399453.db2.gz WRPZOTAYGZZRLQ-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867055 784626125 /nfs/dbraw/zinc/62/61/25/784626125.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867055 784626128 /nfs/dbraw/zinc/62/61/28/784626128.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867055 784626134 /nfs/dbraw/zinc/62/61/34/784626134.db2.gz RCBCFFLKUPGQGG-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969058897 784708872 /nfs/dbraw/zinc/70/88/72/784708872.db2.gz CHZXSGMBLUWOJC-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058897 784708876 /nfs/dbraw/zinc/70/88/76/784708876.db2.gz CHZXSGMBLUWOJC-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969058897 784708879 /nfs/dbraw/zinc/70/88/79/784708879.db2.gz CHZXSGMBLUWOJC-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969058894 784708994 /nfs/dbraw/zinc/70/89/94/784708994.db2.gz CHZXSGMBLUWOJC-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058894 784708999 /nfs/dbraw/zinc/70/89/99/784708999.db2.gz CHZXSGMBLUWOJC-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969058894 784709003 /nfs/dbraw/zinc/70/90/03/784709003.db2.gz CHZXSGMBLUWOJC-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086502808 784798344 /nfs/dbraw/zinc/79/83/44/784798344.db2.gz PCAMXUOMBQXQDL-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007327431 784890151 /nfs/dbraw/zinc/89/01/51/784890151.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007327431 784890156 /nfs/dbraw/zinc/89/01/56/784890156.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007327431 784890160 /nfs/dbraw/zinc/89/01/60/784890160.db2.gz NUUBVDDCMOMPRV-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007498320 784937073 /nfs/dbraw/zinc/93/70/73/784937073.db2.gz ZVTOJGFGLUOZTD-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498320 784937078 /nfs/dbraw/zinc/93/70/78/784937078.db2.gz ZVTOJGFGLUOZTD-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498320 784937087 /nfs/dbraw/zinc/93/70/87/784937087.db2.gz ZVTOJGFGLUOZTD-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267145 791074271 /nfs/dbraw/zinc/07/42/71/791074271.db2.gz AMAPFDCZYVCXHP-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008162950 785124901 /nfs/dbraw/zinc/12/49/01/785124901.db2.gz NPWBBEZLCPAZLB-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009166623 785400036 /nfs/dbraw/zinc/40/00/36/785400036.db2.gz GAXQUEWEGKSOEU-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009166623 785400044 /nfs/dbraw/zinc/40/00/44/785400044.db2.gz GAXQUEWEGKSOEU-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166623 785400052 /nfs/dbraw/zinc/40/00/52/785400052.db2.gz GAXQUEWEGKSOEU-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166623 785400063 /nfs/dbraw/zinc/40/00/63/785400063.db2.gz GAXQUEWEGKSOEU-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009249055 785415744 /nfs/dbraw/zinc/41/57/44/785415744.db2.gz WVVLMENKLUIXSL-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009249055 785415749 /nfs/dbraw/zinc/41/57/49/785415749.db2.gz WVVLMENKLUIXSL-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417474 785861401 /nfs/dbraw/zinc/86/14/01/785861401.db2.gz CYFNPQSRXFRNRI-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417474 785861406 /nfs/dbraw/zinc/86/14/06/785861406.db2.gz CYFNPQSRXFRNRI-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417474 785861413 /nfs/dbraw/zinc/86/14/13/785861413.db2.gz CYFNPQSRXFRNRI-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001112864841 786261280 /nfs/dbraw/zinc/26/12/80/786261280.db2.gz GAHUGIUOJFZVCD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008493 786358234 /nfs/dbraw/zinc/35/82/34/786358234.db2.gz RUZLVYOIOIKPGH-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438472 786585843 /nfs/dbraw/zinc/58/58/43/786585843.db2.gz TWJWRULODADVGA-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014438472 786585847 /nfs/dbraw/zinc/58/58/47/786585847.db2.gz TWJWRULODADVGA-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014438472 786585853 /nfs/dbraw/zinc/58/58/53/786585853.db2.gz TWJWRULODADVGA-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541313 788118363 /nfs/dbraw/zinc/11/83/63/788118363.db2.gz CVMAMHLASMIAOY-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097972377 788302845 /nfs/dbraw/zinc/30/28/45/788302845.db2.gz WBFVLHWZAHVLIZ-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133313225 788364922 /nfs/dbraw/zinc/36/49/22/788364922.db2.gz BRVHVFCATBAADE-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691195 789450722 /nfs/dbraw/zinc/45/07/22/789450722.db2.gz PUZFIBALZDEGFP-IAGOWNOFSA-N 2 1 309.498 2.395 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690899 789451133 /nfs/dbraw/zinc/45/11/33/789451133.db2.gz LOWTZKXIAOFAPI-IAGOWNOFSA-N 2 1 309.498 2.395 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783471 789502990 /nfs/dbraw/zinc/50/29/90/789502990.db2.gz BSJYAKOFZPPTLB-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170872519 789567405 /nfs/dbraw/zinc/56/74/05/789567405.db2.gz XQJLYQWIIPGPCS-IXDOHACOSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871194 789951613 /nfs/dbraw/zinc/95/16/13/789951613.db2.gz GNHFXKDQULXWCX-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686155 791265129 /nfs/dbraw/zinc/26/51/29/791265129.db2.gz SLTPJYLTCXLVCY-IHRRRGAJSA-N 2 1 322.840 2.092 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001074824687 791329172 /nfs/dbraw/zinc/32/91/72/791329172.db2.gz HZWHJNBATGSQPG-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315887 791737856 /nfs/dbraw/zinc/73/78/56/791737856.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315887 791737862 /nfs/dbraw/zinc/73/78/62/791737862.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315887 791737867 /nfs/dbraw/zinc/73/78/67/791737867.db2.gz ZOGZFTPKZQTUCH-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737082 791783250 /nfs/dbraw/zinc/78/32/50/791783250.db2.gz IJDZOVTTWNIHLT-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737082 791783252 /nfs/dbraw/zinc/78/32/52/791783252.db2.gz IJDZOVTTWNIHLT-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737082 791783255 /nfs/dbraw/zinc/78/32/55/791783255.db2.gz IJDZOVTTWNIHLT-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737940 791783920 /nfs/dbraw/zinc/78/39/20/791783920.db2.gz KVXPXSCAMGXUML-LMMKCTJWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625928 791784715 /nfs/dbraw/zinc/78/47/15/791784715.db2.gz PFLUHSYFPZZSSW-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823921 791891887 /nfs/dbraw/zinc/89/18/87/791891887.db2.gz LQNPZJFLELPODG-APWZRJJASA-N 2 1 324.428 2.304 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092072511 791928377 /nfs/dbraw/zinc/92/83/77/791928377.db2.gz YXELTDHADMMDIB-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071420 791928470 /nfs/dbraw/zinc/92/84/70/791928470.db2.gz VHNCXWWKYYKQGM-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658092 792104557 /nfs/dbraw/zinc/10/45/57/792104557.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658092 792104562 /nfs/dbraw/zinc/10/45/62/792104562.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658092 792104570 /nfs/dbraw/zinc/10/45/70/792104570.db2.gz HDEGIBXQTCKORQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236205 792145465 /nfs/dbraw/zinc/14/54/65/792145465.db2.gz WZIYPRDBWPTTJN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236205 792145471 /nfs/dbraw/zinc/14/54/71/792145471.db2.gz WZIYPRDBWPTTJN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236205 792145476 /nfs/dbraw/zinc/14/54/76/792145476.db2.gz WZIYPRDBWPTTJN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099233634 792145940 /nfs/dbraw/zinc/14/59/40/792145940.db2.gz AHBPISLTLRRVNA-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233634 792145946 /nfs/dbraw/zinc/14/59/46/792145946.db2.gz AHBPISLTLRRVNA-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099233634 792145953 /nfs/dbraw/zinc/14/59/53/792145953.db2.gz AHBPISLTLRRVNA-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509716 792695126 /nfs/dbraw/zinc/69/51/26/792695126.db2.gz VMXDKNCYHJASTR-JEYLPNPQSA-N 2 1 304.438 2.031 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161636 793055701 /nfs/dbraw/zinc/05/57/01/793055701.db2.gz NMTMKEPICSEOCU-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135848 /nfs/dbraw/zinc/13/58/48/793135848.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135852 /nfs/dbraw/zinc/13/58/52/793135852.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368909 793135858 /nfs/dbraw/zinc/13/58/58/793135858.db2.gz UCYWEDKLJDLILT-APWZRJJASA-N 2 1 321.509 2.321 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575104 793240771 /nfs/dbraw/zinc/24/07/71/793240771.db2.gz TTZGMLSIWBSJMU-WBVHZDCISA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974882 793465386 /nfs/dbraw/zinc/46/53/86/793465386.db2.gz VCPYPDAAVKCMGC-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP CCC[N@@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970384 793547136 /nfs/dbraw/zinc/54/71/36/793547136.db2.gz FRJIKUXSUWGNEV-GJZGRUSLSA-N 2 1 324.469 2.339 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085081 793934619 /nfs/dbraw/zinc/93/46/19/793934619.db2.gz CZTSUGJRKPUJNH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175263465 794172002 /nfs/dbraw/zinc/17/20/02/794172002.db2.gz PXIXXBQQTHCJRI-UKRRQHHQSA-N 2 1 315.889 2.345 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271393 794174315 /nfs/dbraw/zinc/17/43/15/794174315.db2.gz AXKLLINUOAOQQQ-MRXNPFEDSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164325 794374460 /nfs/dbraw/zinc/37/44/60/794374460.db2.gz AJNNXBGJODDVCJ-LSDHHAIUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006069 794543361 /nfs/dbraw/zinc/54/33/61/794543361.db2.gz FTYQBBJUWSPHCX-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428720 794632419 /nfs/dbraw/zinc/63/24/19/794632419.db2.gz LSBGAEZHBJLJTD-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571519 794824701 /nfs/dbraw/zinc/82/47/01/794824701.db2.gz BYXNOPKMNGGPDF-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630716 794850910 /nfs/dbraw/zinc/85/09/10/794850910.db2.gz WLGNFTWZBLFYDT-UHFFFAOYSA-N 2 1 324.856 2.353 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483574 794935809 /nfs/dbraw/zinc/93/58/09/794935809.db2.gz DXLFMXJFFBUPFE-ZWKOTPCHSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902574 795027338 /nfs/dbraw/zinc/02/73/38/795027338.db2.gz XCHSPYNYUTYHAZ-ZOBUZTSGSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550224 795134991 /nfs/dbraw/zinc/13/49/91/795134991.db2.gz RXEJFPLCFRUOGV-KBPBESRZSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)[C@H]1C ZINC001179688709 795152734 /nfs/dbraw/zinc/15/27/34/795152734.db2.gz FPCVGRWNFIOBRG-DZKIICNBSA-N 2 1 304.438 2.134 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788393 795176283 /nfs/dbraw/zinc/17/62/83/795176283.db2.gz YJGUWXWNMZKIHS-QZTJIDSGSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121295153 795612392 /nfs/dbraw/zinc/61/23/92/795612392.db2.gz SHEUIOFVKSXRPS-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121768003 795685101 /nfs/dbraw/zinc/68/51/01/795685101.db2.gz UXRSMRQCNXRQLS-XOGYLQAWSA-N 2 1 305.466 2.064 20 30 DEEDMP CCCCCCCC[C@@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001122289707 795744018 /nfs/dbraw/zinc/74/40/18/795744018.db2.gz RZZAQNRDLUORDT-CQSZACIVSA-N 2 1 307.442 2.003 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001183027137 795792529 /nfs/dbraw/zinc/79/25/29/795792529.db2.gz KBLDRGVEDNCGJP-GOSISDBHSA-N 2 1 313.445 2.154 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001183027137 795792532 /nfs/dbraw/zinc/79/25/32/795792532.db2.gz KBLDRGVEDNCGJP-GOSISDBHSA-N 2 1 313.445 2.154 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240681 795836350 /nfs/dbraw/zinc/83/63/50/795836350.db2.gz PGRWARJAZMETIH-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256465 795839747 /nfs/dbraw/zinc/83/97/47/795839747.db2.gz XBGDNIWWLMUZED-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185547506 796289957 /nfs/dbraw/zinc/28/99/57/796289957.db2.gz IGJGIFKIAPAEFJ-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872476 796293818 /nfs/dbraw/zinc/29/38/18/796293818.db2.gz GPUVIZBYMPJUNV-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141109034 796635065 /nfs/dbraw/zinc/63/50/65/796635065.db2.gz GORMJHSFMKACFW-ZJUUUORDSA-N 2 1 310.854 2.239 20 30 DEEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141109034 796635067 /nfs/dbraw/zinc/63/50/67/796635067.db2.gz GORMJHSFMKACFW-ZJUUUORDSA-N 2 1 310.854 2.239 20 30 DEEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141109034 796635071 /nfs/dbraw/zinc/63/50/71/796635071.db2.gz GORMJHSFMKACFW-ZJUUUORDSA-N 2 1 310.854 2.239 20 30 DEEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3sc(N)c(C#N)c3Cl)C[C@@H]2C1 ZINC001141109034 796635073 /nfs/dbraw/zinc/63/50/73/796635073.db2.gz GORMJHSFMKACFW-ZJUUUORDSA-N 2 1 310.854 2.239 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189880836 796897032 /nfs/dbraw/zinc/89/70/32/796897032.db2.gz KOOTWAMGMWKUPE-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189880836 796897034 /nfs/dbraw/zinc/89/70/34/796897034.db2.gz KOOTWAMGMWKUPE-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190724965 797062881 /nfs/dbraw/zinc/06/28/81/797062881.db2.gz OFYPCZUSGAAVRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001190724965 797062888 /nfs/dbraw/zinc/06/28/88/797062888.db2.gz OFYPCZUSGAAVRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001190724965 797062893 /nfs/dbraw/zinc/06/28/93/797062893.db2.gz OFYPCZUSGAAVRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001190724965 797062899 /nfs/dbraw/zinc/06/28/99/797062899.db2.gz OFYPCZUSGAAVRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163545 797149009 /nfs/dbraw/zinc/14/90/09/797149009.db2.gz WLKATGFFCZOLHJ-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683716 797249684 /nfs/dbraw/zinc/24/96/84/797249684.db2.gz ITMGBUXRZSHXSV-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019230 797306101 /nfs/dbraw/zinc/30/61/01/797306101.db2.gz VRSZPKOCFWELKD-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153445706 797339063 /nfs/dbraw/zinc/33/90/63/797339063.db2.gz GNIXHFVNQKDENR-HZPDHXFCSA-N 2 1 318.465 2.247 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153445706 797339067 /nfs/dbraw/zinc/33/90/67/797339067.db2.gz GNIXHFVNQKDENR-HZPDHXFCSA-N 2 1 318.465 2.247 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916918 797470278 /nfs/dbraw/zinc/47/02/78/797470278.db2.gz GTSGWJHLASMGHP-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844322 797624967 /nfs/dbraw/zinc/62/49/67/797624967.db2.gz BDAWSOKGYBNSLG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844322 797624972 /nfs/dbraw/zinc/62/49/72/797624972.db2.gz BDAWSOKGYBNSLG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844322 797624977 /nfs/dbraw/zinc/62/49/77/797624977.db2.gz BDAWSOKGYBNSLG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001809 797667253 /nfs/dbraw/zinc/66/72/53/797667253.db2.gz KVEICPVOYAHQOG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001809 797667255 /nfs/dbraw/zinc/66/72/55/797667255.db2.gz KVEICPVOYAHQOG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001809 797667259 /nfs/dbraw/zinc/66/72/59/797667259.db2.gz KVEICPVOYAHQOG-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001155600846 797801789 /nfs/dbraw/zinc/80/17/89/797801789.db2.gz VXXMDSQUXVEEFO-PXAZEXFGSA-N 2 1 311.389 2.005 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295586 /nfs/dbraw/zinc/29/55/86/798295586.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295588 /nfs/dbraw/zinc/29/55/88/798295588.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221680 798295592 /nfs/dbraw/zinc/29/55/92/798295592.db2.gz MWWZKCCEMMFPMU-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973484 798319568 /nfs/dbraw/zinc/31/95/68/798319568.db2.gz FSYPSJAGQFCOKW-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973484 798319574 /nfs/dbraw/zinc/31/95/74/798319574.db2.gz FSYPSJAGQFCOKW-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973484 798319580 /nfs/dbraw/zinc/31/95/80/798319580.db2.gz FSYPSJAGQFCOKW-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158559633 798428799 /nfs/dbraw/zinc/42/87/99/798428799.db2.gz JGCPIUBDOHGAEO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203178046 798470287 /nfs/dbraw/zinc/47/02/87/798470287.db2.gz NDFURHQOKIEDIP-JKSUJKDBSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159838438 798616585 /nfs/dbraw/zinc/61/65/85/798616585.db2.gz MPLDSDJPUXSYNC-IAGOWNOFSA-N 2 1 309.498 2.415 20 30 DEEDMP Cc1ccc(CC#N)c(NCc2ccccc2N2CC[NH2+]CC2)[nH+]1 ZINC001160113013 798648853 /nfs/dbraw/zinc/64/88/53/798648853.db2.gz VFOPCNNPGQUAGV-UHFFFAOYSA-N 2 1 321.428 2.478 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631224 798776557 /nfs/dbraw/zinc/77/65/57/798776557.db2.gz DBWMXWFVZMCGFE-CQSZACIVSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577333 798849711 /nfs/dbraw/zinc/84/97/11/798849711.db2.gz DGAWZAMCEFVWOV-FPCVCCKLSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110577333 798849718 /nfs/dbraw/zinc/84/97/18/798849718.db2.gz DGAWZAMCEFVWOV-FPCVCCKLSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111020647 799834549 /nfs/dbraw/zinc/83/45/49/799834549.db2.gz GNQSECKGZLLKBV-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020647 799834557 /nfs/dbraw/zinc/83/45/57/799834557.db2.gz GNQSECKGZLLKBV-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020647 799834560 /nfs/dbraw/zinc/83/45/60/799834560.db2.gz GNQSECKGZLLKBV-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687723 799921396 /nfs/dbraw/zinc/92/13/96/799921396.db2.gz XZCVMWZDIKXKRJ-HNNXBMFYSA-N 2 1 319.852 2.047 20 30 DEEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203698758 800107416 /nfs/dbraw/zinc/10/74/16/800107416.db2.gz AJTPZOQONZDUGY-INIZCTEOSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549240 800551998 /nfs/dbraw/zinc/55/19/98/800551998.db2.gz XCADTMHFCZWPRF-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586087 800558648 /nfs/dbraw/zinc/55/86/48/800558648.db2.gz NJAXIQMXUVBFMZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206586087 800558651 /nfs/dbraw/zinc/55/86/51/800558651.db2.gz NJAXIQMXUVBFMZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206586087 800558656 /nfs/dbraw/zinc/55/86/56/800558656.db2.gz NJAXIQMXUVBFMZ-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616798 800789362 /nfs/dbraw/zinc/78/93/62/800789362.db2.gz FKSDRPQVKBLSIO-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616798 800789369 /nfs/dbraw/zinc/78/93/69/800789369.db2.gz FKSDRPQVKBLSIO-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616798 800789374 /nfs/dbraw/zinc/78/93/74/800789374.db2.gz FKSDRPQVKBLSIO-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859135 800849768 /nfs/dbraw/zinc/84/97/68/800849768.db2.gz JLBRBJRBJINRNB-IXDOHACOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209891470 801303136 /nfs/dbraw/zinc/30/31/36/801303136.db2.gz DTJQSMNCMWZKFK-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230035964 801352802 /nfs/dbraw/zinc/35/28/02/801352802.db2.gz ZCKOVZVCHXHZQE-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592303 801431109 /nfs/dbraw/zinc/43/11/09/801431109.db2.gz YANSDLIXRAAEME-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230619134 801438595 /nfs/dbraw/zinc/43/85/95/801438595.db2.gz VLEPGIOMFCYMKE-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619134 801438599 /nfs/dbraw/zinc/43/85/99/801438599.db2.gz VLEPGIOMFCYMKE-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619134 801438603 /nfs/dbraw/zinc/43/86/03/801438603.db2.gz VLEPGIOMFCYMKE-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627058 801439961 /nfs/dbraw/zinc/43/99/61/801439961.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230627058 801439964 /nfs/dbraw/zinc/43/99/64/801439964.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230627058 801439966 /nfs/dbraw/zinc/43/99/66/801439966.db2.gz AISWUHRNCJDARJ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231216662 801608056 /nfs/dbraw/zinc/60/80/56/801608056.db2.gz MOXMPGFQEWIFNG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231216662 801608058 /nfs/dbraw/zinc/60/80/58/801608058.db2.gz MOXMPGFQEWIFNG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001231216662 801608059 /nfs/dbraw/zinc/60/80/59/801608059.db2.gz MOXMPGFQEWIFNG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861343 801767771 /nfs/dbraw/zinc/76/77/71/801767771.db2.gz RLBKOCQYPKNPNE-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750263 802021660 /nfs/dbraw/zinc/02/16/60/802021660.db2.gz WBEHCIVNZIVFNU-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC001222848154 802744454 /nfs/dbraw/zinc/74/44/54/802744454.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 ZINC001222848154 802744458 /nfs/dbraw/zinc/74/44/58/802744458.db2.gz DEWKMIGMTHHPKV-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP CC#CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223480479 802793755 /nfs/dbraw/zinc/79/37/55/802793755.db2.gz MXPYNUVQKSFZAL-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001223678319 802808128 /nfs/dbraw/zinc/80/81/28/802808128.db2.gz MLMRLJLEHQQSQO-UHFFFAOYSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223697748 802810038 /nfs/dbraw/zinc/81/00/38/802810038.db2.gz JUAGKJOXFRGLOE-SQNIBIBYSA-N 2 1 321.509 2.462 20 30 DEEDMP C[NH+]1CCC(CO[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001224454639 802871600 /nfs/dbraw/zinc/87/16/00/802871600.db2.gz QJPLBGNTJAEMLG-IBGZPJMESA-N 2 1 313.445 2.491 20 30 DEEDMP C[NH+]1CCC(CO[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001224454639 802871606 /nfs/dbraw/zinc/87/16/06/802871606.db2.gz QJPLBGNTJAEMLG-IBGZPJMESA-N 2 1 313.445 2.491 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224713393 802896321 /nfs/dbraw/zinc/89/63/21/802896321.db2.gz RJPIBAHFDMJMRN-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001227986643 803302484 /nfs/dbraw/zinc/30/24/84/803302484.db2.gz IIKQIGZYSPIJDG-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228114071 803320980 /nfs/dbraw/zinc/32/09/80/803320980.db2.gz PBOWDBMDNOMTDP-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001330836311 1149311778 /nfs/dbraw/zinc/31/17/78/1149311778.db2.gz NRLLLUOMMJOBRK-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001330836311 1149311791 /nfs/dbraw/zinc/31/17/91/1149311791.db2.gz NRLLLUOMMJOBRK-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370316030 1149526053 /nfs/dbraw/zinc/52/60/53/1149526053.db2.gz CMOSJYITXXFZNF-CABCVRRESA-N 2 1 315.889 2.250 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131872 1072447931 /nfs/dbraw/zinc/44/79/31/1072447931.db2.gz RIONRRLVFVCVTH-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616961 1058194392 /nfs/dbraw/zinc/19/43/92/1058194392.db2.gz WEZPFVFJIJEKJC-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616961 1058194395 /nfs/dbraw/zinc/19/43/95/1058194395.db2.gz WEZPFVFJIJEKJC-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616961 1058194398 /nfs/dbraw/zinc/19/43/98/1058194398.db2.gz WEZPFVFJIJEKJC-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616961 1058194403 /nfs/dbraw/zinc/19/44/03/1058194403.db2.gz WEZPFVFJIJEKJC-JLSDUUJJSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001501188428 1059359472 /nfs/dbraw/zinc/35/94/72/1059359472.db2.gz IUWZVCBXGUKUIP-BRWVUGGUSA-N 2 1 307.482 2.026 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501190039 1059363603 /nfs/dbraw/zinc/36/36/03/1059363603.db2.gz MPCOZKFKOPUQCT-VPLLLXJESA-N 2 1 319.493 2.005 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839051 1060350635 /nfs/dbraw/zinc/35/06/35/1060350635.db2.gz QUBTXRXGELTFSJ-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479368150 1061416796 /nfs/dbraw/zinc/41/67/96/1061416796.db2.gz CVTBXSKQSPSXBO-WRQOLXDDSA-N 2 1 307.482 2.166 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001479711265 1061631226 /nfs/dbraw/zinc/63/12/26/1061631226.db2.gz RTQWTBXVDOXIHK-ZBFHGGJFSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001479711265 1061631232 /nfs/dbraw/zinc/63/12/32/1061631232.db2.gz RTQWTBXVDOXIHK-ZBFHGGJFSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001479711265 1061631237 /nfs/dbraw/zinc/63/12/37/1061631237.db2.gz RTQWTBXVDOXIHK-ZBFHGGJFSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001479729118 1061647302 /nfs/dbraw/zinc/64/73/02/1061647302.db2.gz IZLVCDZGJXAPFM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001479747348 1061674978 /nfs/dbraw/zinc/67/49/78/1061674978.db2.gz XQUFKOQJWXOAFL-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190347 1062442721 /nfs/dbraw/zinc/44/27/21/1062442721.db2.gz ZVJBHTKUQNHSTF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001506864744 1062449325 /nfs/dbraw/zinc/44/93/25/1062449325.db2.gz FWUMSSSUAAHXRL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001480211620 1062470097 /nfs/dbraw/zinc/47/00/97/1062470097.db2.gz UDSYBXHFNQNUNC-YVSFHVDLSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001506885817 1062471030 /nfs/dbraw/zinc/47/10/30/1062471030.db2.gz CFHCPUIVFHHTBX-ZOBUZTSGSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480288481 1062588747 /nfs/dbraw/zinc/58/87/47/1062588747.db2.gz QEOGHBAIBGYXAP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001507324600 1063097602 /nfs/dbraw/zinc/09/76/02/1063097602.db2.gz KSNJZIDNHDYZQG-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480724650 1063249879 /nfs/dbraw/zinc/24/98/79/1063249879.db2.gz KVNZTGVNNVTHCC-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001493159946 1063609926 /nfs/dbraw/zinc/60/99/26/1063609926.db2.gz FVNBENVAMCBBBC-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493239817 1063662966 /nfs/dbraw/zinc/66/29/66/1063662966.db2.gz DPPVTVQERAAYDL-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493239817 1063662974 /nfs/dbraw/zinc/66/29/74/1063662974.db2.gz DPPVTVQERAAYDL-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001493905312 1064018361 /nfs/dbraw/zinc/01/83/61/1064018361.db2.gz NFGQQSRZNQCWND-QGZVFWFLSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054936 1064105936 /nfs/dbraw/zinc/10/59/36/1064105936.db2.gz LRFMSJCJNWFVSE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054936 1064105940 /nfs/dbraw/zinc/10/59/40/1064105940.db2.gz LRFMSJCJNWFVSE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001494082462 1064118159 /nfs/dbraw/zinc/11/81/59/1064118159.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494082462 1064118164 /nfs/dbraw/zinc/11/81/64/1064118164.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494082462 1064118171 /nfs/dbraw/zinc/11/81/71/1064118171.db2.gz GXUGNTMIVXCBAV-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001567442894 1064200928 /nfs/dbraw/zinc/20/09/28/1064200928.db2.gz NRWBXYOVYNRZIN-ZMSDIMECSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001567442894 1064200937 /nfs/dbraw/zinc/20/09/37/1064200937.db2.gz NRWBXYOVYNRZIN-ZMSDIMECSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001567442894 1064200943 /nfs/dbraw/zinc/20/09/43/1064200943.db2.gz NRWBXYOVYNRZIN-ZMSDIMECSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567663751 1064327186 /nfs/dbraw/zinc/32/71/86/1064327186.db2.gz ROXYETUGJNHMJH-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567712586 1064370968 /nfs/dbraw/zinc/37/09/68/1064370968.db2.gz WULLXWOPJANJHX-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729675 1064380195 /nfs/dbraw/zinc/38/01/95/1064380195.db2.gz LRAWMDFXYAVBEH-CVEARBPZSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729675 1064380199 /nfs/dbraw/zinc/38/01/99/1064380199.db2.gz LRAWMDFXYAVBEH-CVEARBPZSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729675 1064380205 /nfs/dbraw/zinc/38/02/05/1064380205.db2.gz LRAWMDFXYAVBEH-CVEARBPZSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001568094316 1064643093 /nfs/dbraw/zinc/64/30/93/1064643093.db2.gz YIJWUOOAKVPDCL-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568138325 1064667115 /nfs/dbraw/zinc/66/71/15/1064667115.db2.gz UNKTXKXHRSKREX-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001568346780 1064795202 /nfs/dbraw/zinc/79/52/02/1064795202.db2.gz NXQAVAQNXAUXCB-FUHWJXTLSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001495430264 1064901250 /nfs/dbraw/zinc/90/12/50/1064901250.db2.gz IJEXPSULEDNFEM-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001568493595 1064910522 /nfs/dbraw/zinc/91/05/22/1064910522.db2.gz ZIZKLBSIWPZHHI-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001568493595 1064910532 /nfs/dbraw/zinc/91/05/32/1064910532.db2.gz ZIZKLBSIWPZHHI-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568493595 1064910538 /nfs/dbraw/zinc/91/05/38/1064910538.db2.gz ZIZKLBSIWPZHHI-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493595 1064910546 /nfs/dbraw/zinc/91/05/46/1064910546.db2.gz ZIZKLBSIWPZHHI-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001496442822 1065473515 /nfs/dbraw/zinc/47/35/15/1065473515.db2.gz IBYJKXGDRWSTHQ-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001569470928 1065527835 /nfs/dbraw/zinc/52/78/35/1065527835.db2.gz MRHZXPGFTKGSBK-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723317 1065692130 /nfs/dbraw/zinc/69/21/30/1065692130.db2.gz UOYPDNKCDUBVHY-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496911281 1065798540 /nfs/dbraw/zinc/79/85/40/1065798540.db2.gz HOJBKAHZRFOTRL-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569909900 1065810393 /nfs/dbraw/zinc/81/03/93/1065810393.db2.gz KATRUALQNYKFKA-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909900 1065810414 /nfs/dbraw/zinc/81/04/14/1065810414.db2.gz KATRUALQNYKFKA-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909900 1065810424 /nfs/dbraw/zinc/81/04/24/1065810424.db2.gz KATRUALQNYKFKA-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570463702 1066082419 /nfs/dbraw/zinc/08/24/19/1066082419.db2.gz CNEDCZQJYYBVRF-INIZCTEOSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001570504479 1066097757 /nfs/dbraw/zinc/09/77/57/1066097757.db2.gz KDIBLMYMADAZBV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001570504479 1066097764 /nfs/dbraw/zinc/09/77/64/1066097764.db2.gz KDIBLMYMADAZBV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570504479 1066097773 /nfs/dbraw/zinc/09/77/73/1066097773.db2.gz KDIBLMYMADAZBV-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497677858 1066231762 /nfs/dbraw/zinc/23/17/62/1066231762.db2.gz BTBVFXAKIIAIGP-JTGQJZMRSA-N 2 1 311.445 2.037 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381367 1066668391 /nfs/dbraw/zinc/66/83/91/1066668391.db2.gz PEKHLCFKSNBVPE-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381367 1066668399 /nfs/dbraw/zinc/66/83/99/1066668399.db2.gz PEKHLCFKSNBVPE-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001496129181 1078519686 /nfs/dbraw/zinc/51/96/86/1078519686.db2.gz PFGZJFOPAFBSDK-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267106966 1078584674 /nfs/dbraw/zinc/58/46/74/1078584674.db2.gz ADTHBFQYLHRJBM-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267106966 1078584676 /nfs/dbraw/zinc/58/46/76/1078584676.db2.gz ADTHBFQYLHRJBM-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570621819 1068039542 /nfs/dbraw/zinc/03/95/42/1068039542.db2.gz OXFJYVNDMPCQQW-HZPDHXFCSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570826947 1068130353 /nfs/dbraw/zinc/13/03/53/1068130353.db2.gz HJZHUNGJDKOCPY-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001571505731 1068364798 /nfs/dbraw/zinc/36/47/98/1068364798.db2.gz VTXSLRJDEQDACC-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571505731 1068364806 /nfs/dbraw/zinc/36/48/06/1068364806.db2.gz VTXSLRJDEQDACC-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571505731 1068364810 /nfs/dbraw/zinc/36/48/10/1068364810.db2.gz VTXSLRJDEQDACC-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001571539772 1068407487 /nfs/dbraw/zinc/40/74/87/1068407487.db2.gz GBVBLDHEDZCEKM-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639422 1068454095 /nfs/dbraw/zinc/45/40/95/1068454095.db2.gz NQZIYHFUXQXBKC-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001571650563 1068459515 /nfs/dbraw/zinc/45/95/15/1068459515.db2.gz XSXYVEYDJVQLJZ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001267295664 1078741768 /nfs/dbraw/zinc/74/17/68/1078741768.db2.gz XRUPSZNHGLVIGU-UHFFFAOYSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001267295664 1078741770 /nfs/dbraw/zinc/74/17/70/1078741770.db2.gz XRUPSZNHGLVIGU-UHFFFAOYSA-N 2 1 312.845 2.161 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001267328191 1078768694 /nfs/dbraw/zinc/76/86/94/1078768694.db2.gz NEPLWDWWDSPTCB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267328191 1078768698 /nfs/dbraw/zinc/76/86/98/1078768698.db2.gz NEPLWDWWDSPTCB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001267328191 1078768702 /nfs/dbraw/zinc/76/87/02/1078768702.db2.gz NEPLWDWWDSPTCB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483710184 1078841477 /nfs/dbraw/zinc/84/14/77/1078841477.db2.gz VRWPETNAHKRRDE-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483710184 1078841482 /nfs/dbraw/zinc/84/14/82/1078841482.db2.gz VRWPETNAHKRRDE-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CCC#C[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001644602652 1078851050 /nfs/dbraw/zinc/85/10/50/1078851050.db2.gz AYTNKFIQEIBIDT-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267460460 1078870084 /nfs/dbraw/zinc/87/00/84/1078870084.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460460 1078870094 /nfs/dbraw/zinc/87/00/94/1078870094.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460460 1078870103 /nfs/dbraw/zinc/87/01/03/1078870103.db2.gz VUMJCVACXNNPBI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267496038 1078921206 /nfs/dbraw/zinc/92/12/06/1078921206.db2.gz KTPKWXQHOLPONP-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267496038 1078921211 /nfs/dbraw/zinc/92/12/11/1078921211.db2.gz KTPKWXQHOLPONP-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267496038 1078921215 /nfs/dbraw/zinc/92/12/15/1078921215.db2.gz KTPKWXQHOLPONP-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001483743971 1078980822 /nfs/dbraw/zinc/98/08/22/1078980822.db2.gz JTRXRWQQOUTUPS-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267556868 1078989149 /nfs/dbraw/zinc/98/91/49/1078989149.db2.gz VUBBAADFZWYORQ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267556868 1078989153 /nfs/dbraw/zinc/98/91/53/1078989153.db2.gz VUBBAADFZWYORQ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267556868 1078989157 /nfs/dbraw/zinc/98/91/57/1078989157.db2.gz VUBBAADFZWYORQ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595309 1079112244 /nfs/dbraw/zinc/11/22/44/1079112244.db2.gz HISXPJVLVUWCMV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001483813244 1079136135 /nfs/dbraw/zinc/13/61/35/1079136135.db2.gz KSHVNLAQFYPRKX-UHFFFAOYSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001483975523 1079221453 /nfs/dbraw/zinc/22/14/53/1079221453.db2.gz LVHLPRZGZGRHRP-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483995915 1079235256 /nfs/dbraw/zinc/23/52/56/1079235256.db2.gz IEVVMAKVIFMIHZ-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484139895 1079319436 /nfs/dbraw/zinc/31/94/36/1079319436.db2.gz DZOLEZSTRJGDNS-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001566076314 1075225587 /nfs/dbraw/zinc/22/55/87/1075225587.db2.gz VTHARJOSYWAHIE-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131871 1075234396 /nfs/dbraw/zinc/23/43/96/1075234396.db2.gz RIONRRLVFVCVTH-IAGOWNOFSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001566131870 1075234872 /nfs/dbraw/zinc/23/48/72/1075234872.db2.gz RIONRRLVFVCVTH-DLBZAZTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001566719542 1075326106 /nfs/dbraw/zinc/32/61/06/1075326106.db2.gz LOSAMGGJJDRSDQ-BHYGNILZSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001566893959 1075375839 /nfs/dbraw/zinc/37/58/39/1075375839.db2.gz SCMJKALMZHMADY-CVEARBPZSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001566930468 1075390740 /nfs/dbraw/zinc/39/07/40/1075390740.db2.gz XLTBTCDDEGGTIS-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001566930468 1075390748 /nfs/dbraw/zinc/39/07/48/1075390748.db2.gz XLTBTCDDEGGTIS-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001567055584 1075424849 /nfs/dbraw/zinc/42/48/49/1075424849.db2.gz AWSTYWFWAQCSOW-JQHSSLGASA-N 2 1 315.461 2.002 20 30 DEEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001567182802 1075455614 /nfs/dbraw/zinc/45/56/14/1075455614.db2.gz MGFLPMJYMTZCNA-SFHVURJKSA-N 2 1 315.461 2.105 20 30 DEEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267819093 1079514333 /nfs/dbraw/zinc/51/43/33/1079514333.db2.gz ASCBZAQACCSNDK-HOTGVXAUSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001272681805 1079538588 /nfs/dbraw/zinc/53/85/88/1079538588.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 2 1 315.461 2.262 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272681805 1079538593 /nfs/dbraw/zinc/53/85/93/1079538593.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 2 1 315.461 2.262 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272681805 1079538598 /nfs/dbraw/zinc/53/85/98/1079538598.db2.gz BVVCPSCFMREDCE-INIZCTEOSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484397206 1079586389 /nfs/dbraw/zinc/58/63/89/1079586389.db2.gz BZBMOYVHCRILSZ-KZNAEPCWSA-N 2 1 321.509 2.417 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001267938653 1079619988 /nfs/dbraw/zinc/61/99/88/1079619988.db2.gz FBVWRJYJYBEFBX-MRXNPFEDSA-N 2 1 315.461 2.310 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001279245018 1079624953 /nfs/dbraw/zinc/62/49/53/1079624953.db2.gz VBBOESHIHXSMML-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001481369077 1079761773 /nfs/dbraw/zinc/76/17/73/1079761773.db2.gz PLFAATLTKCRPRZ-KRWDZBQOSA-N 2 1 312.417 2.215 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001484748225 1079777136 /nfs/dbraw/zinc/77/71/36/1079777136.db2.gz DYJDRTVSRQDPNB-UHFFFAOYSA-N 2 1 312.417 2.060 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485060960 1079951748 /nfs/dbraw/zinc/95/17/48/1079951748.db2.gz OPNIREQTJDULQQ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001656571296 1080103335 /nfs/dbraw/zinc/10/33/35/1080103335.db2.gz OGHMUZMVLGHTPV-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CCN1CC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481596227 1080119472 /nfs/dbraw/zinc/11/94/72/1080119472.db2.gz MBELQOUWBWAJBK-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304546 1080141011 /nfs/dbraw/zinc/14/10/11/1080141011.db2.gz XOYMRNGIQQWPSS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485304546 1080141016 /nfs/dbraw/zinc/14/10/16/1080141016.db2.gz XOYMRNGIQQWPSS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485304546 1080141019 /nfs/dbraw/zinc/14/10/19/1080141019.db2.gz XOYMRNGIQQWPSS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001485458667 1080227202 /nfs/dbraw/zinc/22/72/02/1080227202.db2.gz DFGSGIPYIBRQFP-CALCHBBNSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001660475384 1080338109 /nfs/dbraw/zinc/33/81/09/1080338109.db2.gz MMSLNRRLWQUTES-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001485662810 1080354206 /nfs/dbraw/zinc/35/42/06/1080354206.db2.gz NTNJVEVSLMJBCA-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481729504 1080397120 /nfs/dbraw/zinc/39/71/20/1080397120.db2.gz WDSUEACAXKQUOO-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660822042 1080403243 /nfs/dbraw/zinc/40/32/43/1080403243.db2.gz BQHAPMXMUCCUFW-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660822042 1080403249 /nfs/dbraw/zinc/40/32/49/1080403249.db2.gz BQHAPMXMUCCUFW-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001661236037 1080461882 /nfs/dbraw/zinc/46/18/82/1080461882.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661236037 1080461887 /nfs/dbraw/zinc/46/18/87/1080461887.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661236037 1080461894 /nfs/dbraw/zinc/46/18/94/1080461894.db2.gz SCLYJKFRMZSWSP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001661510758 1080488461 /nfs/dbraw/zinc/48/84/61/1080488461.db2.gz HXDFTFHOJYAGTG-BZSNNMDCSA-N 2 1 315.461 2.492 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001661598522 1080498530 /nfs/dbraw/zinc/49/85/30/1080498530.db2.gz YCHCOJBQUREPRH-NXOAAHMSSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782890 1080500875 /nfs/dbraw/zinc/50/08/75/1080500875.db2.gz SZAAVAUUBUXIBD-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001662219143 1080584790 /nfs/dbraw/zinc/58/47/90/1080584790.db2.gz CADUXNOVERIFPI-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481975129 1080661786 /nfs/dbraw/zinc/66/17/86/1080661786.db2.gz QLYAOAKOVSZTEU-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001662839957 1080665901 /nfs/dbraw/zinc/66/59/01/1080665901.db2.gz ZGFWZIBABGROTR-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001482002480 1080681804 /nfs/dbraw/zinc/68/18/04/1080681804.db2.gz KUENUWFBBJOUSS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268539423 1080733910 /nfs/dbraw/zinc/73/39/10/1080733910.db2.gz SYGNTUBBZMPJQS-MOEXGYKKSA-N 2 1 305.466 2.089 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663931528 1080837707 /nfs/dbraw/zinc/83/77/07/1080837707.db2.gz LVAOLDVFPPTDEW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664686801 1080943049 /nfs/dbraw/zinc/94/30/49/1080943049.db2.gz NFKXGTRKFIYIGO-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726393 1080949459 /nfs/dbraw/zinc/94/94/59/1080949459.db2.gz JUEHXAUUWQICTH-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001268988380 1081076773 /nfs/dbraw/zinc/07/67/73/1081076773.db2.gz PSPWTJKNXARUNU-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001665921769 1081098233 /nfs/dbraw/zinc/09/82/33/1081098233.db2.gz UTGKOYSFNDVNII-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269071615 1081108775 /nfs/dbraw/zinc/10/87/75/1081108775.db2.gz NDXLTXSXJFXCEG-FUHWJXTLSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001667285477 1081233504 /nfs/dbraw/zinc/23/35/04/1081233504.db2.gz SBIPJVFWAGRPGN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001667426792 1081250194 /nfs/dbraw/zinc/25/01/94/1081250194.db2.gz YWQCBIXEHPDAOA-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001667426792 1081250197 /nfs/dbraw/zinc/25/01/97/1081250197.db2.gz YWQCBIXEHPDAOA-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001667426792 1081250201 /nfs/dbraw/zinc/25/02/01/1081250201.db2.gz YWQCBIXEHPDAOA-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667692797 1081275892 /nfs/dbraw/zinc/27/58/92/1081275892.db2.gz CPXWEYUBIWSQKO-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000950616638 1081378415 /nfs/dbraw/zinc/37/84/15/1081378415.db2.gz UPEHEFKLLJZRMR-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000950616638 1081378420 /nfs/dbraw/zinc/37/84/20/1081378420.db2.gz UPEHEFKLLJZRMR-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668863908 1081404278 /nfs/dbraw/zinc/40/42/78/1081404278.db2.gz AJAFKBGRPPONGH-OSJSJHBBSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001668900336 1081408385 /nfs/dbraw/zinc/40/83/85/1081408385.db2.gz XMKANMZFLUHLIJ-CMDGGOBGSA-N 2 1 307.482 2.478 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001270118302 1081454583 /nfs/dbraw/zinc/45/45/83/1081454583.db2.gz LWWBDCZAXYOGHA-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671887258 1081546500 /nfs/dbraw/zinc/54/65/00/1081546500.db2.gz KWNMDTWNVIEOOJ-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671887258 1081546504 /nfs/dbraw/zinc/54/65/04/1081546504.db2.gz KWNMDTWNVIEOOJ-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001671887258 1081546508 /nfs/dbraw/zinc/54/65/08/1081546508.db2.gz KWNMDTWNVIEOOJ-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC001672355989 1081586731 /nfs/dbraw/zinc/58/67/31/1081586731.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001672355989 1081586739 /nfs/dbraw/zinc/58/67/39/1081586739.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C2 ZINC001672355989 1081586747 /nfs/dbraw/zinc/58/67/47/1081586747.db2.gz MTXLXGBSPRFDCD-IJTOGUNISA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001672915475 1081721065 /nfs/dbraw/zinc/72/10/65/1081721065.db2.gz HVFZSKOOWKAMHO-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001673639239 1081787406 /nfs/dbraw/zinc/78/74/06/1081787406.db2.gz FVRLIIMVRWNHBS-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001673639239 1081787410 /nfs/dbraw/zinc/78/74/10/1081787410.db2.gz FVRLIIMVRWNHBS-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001673639239 1081787413 /nfs/dbraw/zinc/78/74/13/1081787413.db2.gz FVRLIIMVRWNHBS-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001674353623 1081863706 /nfs/dbraw/zinc/86/37/06/1081863706.db2.gz QIIYPHDAMJPPMS-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001674469457 1081877473 /nfs/dbraw/zinc/87/74/73/1081877473.db2.gz KNGXNVMGURYWMQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001674469457 1081877478 /nfs/dbraw/zinc/87/74/78/1081877478.db2.gz KNGXNVMGURYWMQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001674469457 1081877485 /nfs/dbraw/zinc/87/74/85/1081877485.db2.gz KNGXNVMGURYWMQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001671437420 1081985280 /nfs/dbraw/zinc/98/52/80/1081985280.db2.gz WLSBXLRKYRQGBX-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266466394 1082055467 /nfs/dbraw/zinc/05/54/67/1082055467.db2.gz NYMUGPZSJHDMCH-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001271839042 1082169335 /nfs/dbraw/zinc/16/93/35/1082169335.db2.gz PVLPNZRXKBOLAC-WMZOPIPTSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001482571711 1082253276 /nfs/dbraw/zinc/25/32/76/1082253276.db2.gz NXEKSDYANUMCDY-ROUUACIJSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266749907 1082318545 /nfs/dbraw/zinc/31/85/45/1082318545.db2.gz OGRYLSXILWSQHE-SJLPKXTDSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266758440 1082325737 /nfs/dbraw/zinc/32/57/37/1082325737.db2.gz SUONYZZECWIFDR-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001482603690 1082372851 /nfs/dbraw/zinc/37/28/51/1082372851.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C ZINC001482603690 1082372856 /nfs/dbraw/zinc/37/28/56/1082372856.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001482603690 1082372860 /nfs/dbraw/zinc/37/28/60/1082372860.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001482603690 1082372864 /nfs/dbraw/zinc/37/28/64/1082372864.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC(C)(C)C ZINC001482603690 1082372872 /nfs/dbraw/zinc/37/28/72/1082372872.db2.gz OHKXXQLKABGTKW-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001272091478 1082461869 /nfs/dbraw/zinc/46/18/69/1082461869.db2.gz VNFRLZPKMNGPEY-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001409767632 1083047753 /nfs/dbraw/zinc/04/77/53/1083047753.db2.gz HVXXWDMTFGSBJP-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001276839602 1083640649 /nfs/dbraw/zinc/64/06/49/1083640649.db2.gz KTMQMLBGWCWDIZ-BZSNNMDCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001276906704 1083673263 /nfs/dbraw/zinc/67/32/63/1083673263.db2.gz WJVMIXGHQUPLAU-QRQLOZEOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151975 1083813098 /nfs/dbraw/zinc/81/30/98/1083813098.db2.gz NYDSIZOSJUXQQY-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001277735175 1084120070 /nfs/dbraw/zinc/12/00/70/1084120070.db2.gz LVIWHCAFWWQTTO-MSOLQXFVSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001671736286 1084163746 /nfs/dbraw/zinc/16/37/46/1084163746.db2.gz RCVPWYUKMVEVJC-LZLYRXPVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235339813 1084395841 /nfs/dbraw/zinc/39/58/41/1084395841.db2.gz YXZXEVGXDSNLLJ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235339813 1084395853 /nfs/dbraw/zinc/39/58/53/1084395853.db2.gz YXZXEVGXDSNLLJ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870610 1084400850 /nfs/dbraw/zinc/40/08/50/1084400850.db2.gz RJRWDUORTBXCIQ-IBGZPJMESA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001486147974 1085092048 /nfs/dbraw/zinc/09/20/48/1085092048.db2.gz OFDYWSJXZKHBFK-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC001486147974 1085092052 /nfs/dbraw/zinc/09/20/52/1085092052.db2.gz OFDYWSJXZKHBFK-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC001486233229 1085155490 /nfs/dbraw/zinc/15/54/90/1085155490.db2.gz HGPIIRIBEBELOD-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286526 1085672148 /nfs/dbraw/zinc/67/21/48/1085672148.db2.gz RTJBIXRNIYIYAJ-ZWKOTPCHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961379910 1085711609 /nfs/dbraw/zinc/71/16/09/1085711609.db2.gz WREFQBZFCNZUKZ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962180707 1085998420 /nfs/dbraw/zinc/99/84/20/1085998420.db2.gz GAPSXBACSOYUIS-PIIMJCKOSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273100679 1086177060 /nfs/dbraw/zinc/17/70/60/1086177060.db2.gz BJZCQNYVSLRQMU-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800038 1086561011 /nfs/dbraw/zinc/56/10/11/1086561011.db2.gz CLGGZXAFLZHQDU-NYXDSXFPSA-N 2 1 317.477 2.064 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000963902560 1086592088 /nfs/dbraw/zinc/59/20/88/1086592088.db2.gz MGMAAJAJNRTLRS-UHFFFAOYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927428 1086599826 /nfs/dbraw/zinc/59/98/26/1086599826.db2.gz UORVWDLGOMKZCY-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080017509 1088567323 /nfs/dbraw/zinc/56/73/23/1088567323.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017509 1088567335 /nfs/dbraw/zinc/56/73/35/1088567335.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080017509 1088567346 /nfs/dbraw/zinc/56/73/46/1088567346.db2.gz MCMYFFNUJASQEU-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768016 1090433235 /nfs/dbraw/zinc/43/32/35/1090433235.db2.gz SEHQGKCIWWQBEF-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768016 1090433240 /nfs/dbraw/zinc/43/32/40/1090433240.db2.gz SEHQGKCIWWQBEF-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768016 1090433244 /nfs/dbraw/zinc/43/32/44/1090433244.db2.gz SEHQGKCIWWQBEF-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001274344923 1091195858 /nfs/dbraw/zinc/19/58/58/1091195858.db2.gz IJWKRXJXXFVENB-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001274430120 1091239190 /nfs/dbraw/zinc/23/91/90/1091239190.db2.gz KJVTVTZTMZVXGR-WBXGCANISA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001274611828 1091324867 /nfs/dbraw/zinc/32/48/67/1091324867.db2.gz WVQHRXMTLSPKIE-IJDCCNJMSA-N 2 1 301.434 2.127 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001276100220 1091549964 /nfs/dbraw/zinc/54/99/64/1091549964.db2.gz ZNDXHOJSKBVMNE-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767714 1091924727 /nfs/dbraw/zinc/92/47/27/1091924727.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767714 1091924736 /nfs/dbraw/zinc/92/47/36/1091924736.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767714 1091924744 /nfs/dbraw/zinc/92/47/44/1091924744.db2.gz ZRNIZCODWHIATH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598695 1091943513 /nfs/dbraw/zinc/94/35/13/1091943513.db2.gz GQAPWOUPYHGSTD-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598697 1091944042 /nfs/dbraw/zinc/94/40/42/1091944042.db2.gz GQAPWOUPYHGSTD-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829405 1091960283 /nfs/dbraw/zinc/96/02/83/1091960283.db2.gz MMVPTXHADPJNEK-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC001198002852 1092033461 /nfs/dbraw/zinc/03/34/61/1092033461.db2.gz VODQZKFXAMIRRO-INIZCTEOSA-N 2 1 318.465 2.242 20 30 DEEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001275912241 1092296967 /nfs/dbraw/zinc/29/69/67/1092296967.db2.gz KHKAYZASCKXCMS-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275912241 1092296975 /nfs/dbraw/zinc/29/69/75/1092296975.db2.gz KHKAYZASCKXCMS-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275912241 1092296983 /nfs/dbraw/zinc/29/69/83/1092296983.db2.gz KHKAYZASCKXCMS-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCCC[NH+]1CCC2(CC[N@H+](Cc3cc(C)nn3C)C2)CC1 ZINC001275978405 1092427719 /nfs/dbraw/zinc/42/77/19/1092427719.db2.gz OCXCBTHHTMACCQ-UHFFFAOYSA-N 2 1 314.477 2.430 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001490205278 1093224042 /nfs/dbraw/zinc/22/40/42/1093224042.db2.gz ZKLGTFODPGBUFW-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001490205278 1093224046 /nfs/dbraw/zinc/22/40/46/1093224046.db2.gz ZKLGTFODPGBUFW-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001490205278 1093224052 /nfs/dbraw/zinc/22/40/52/1093224052.db2.gz ZKLGTFODPGBUFW-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001490205278 1093224058 /nfs/dbraw/zinc/22/40/58/1093224058.db2.gz ZKLGTFODPGBUFW-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001490716655 1093479576 /nfs/dbraw/zinc/47/95/76/1093479576.db2.gz JXXIZNASDOMONC-CQSZACIVSA-N 2 1 324.856 2.243 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490774304 1093521494 /nfs/dbraw/zinc/52/14/94/1093521494.db2.gz IATAQXIGPLRLIT-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236385784 1138357051 /nfs/dbraw/zinc/35/70/51/1138357051.db2.gz HCFMDJOTNMKLIL-UHFFFAOYSA-N 2 1 323.525 2.367 20 30 DEEDMP CCc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)ccc1C#N ZINC001238779773 1138874201 /nfs/dbraw/zinc/87/42/01/1138874201.db2.gz YQCNLKUITHRPDA-UHFFFAOYSA-N 2 1 314.477 2.190 20 30 DEEDMP CCCCCCCNC(=S)NCCC[N@@H+](C)CCC[NH3+] ZINC001239376399 1139031198 /nfs/dbraw/zinc/03/11/98/1139031198.db2.gz UZVTYZKCRLEXBJ-UHFFFAOYSA-N 2 1 302.532 2.092 20 30 DEEDMP CCCCCCCCNC(=S)NCCC[N@@H+](C)CCC[NH3+] ZINC001239375353 1139031738 /nfs/dbraw/zinc/03/17/38/1139031738.db2.gz HOHVKNQRMAHMLA-UHFFFAOYSA-N 2 1 316.559 2.482 20 30 DEEDMP CCCCCCC[C@@H](C)[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246624043 1141008598 /nfs/dbraw/zinc/00/85/98/1141008598.db2.gz DGPJHBRVNYLNOR-CRAIPNDOSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001278460352 1141026375 /nfs/dbraw/zinc/02/63/75/1141026375.db2.gz RGWOMFZYWBXEDJ-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246736280 1141048431 /nfs/dbraw/zinc/04/84/31/1141048431.db2.gz WPAKTBIPNSQBAJ-SUTQANCOSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246750640 1141050590 /nfs/dbraw/zinc/05/05/90/1141050590.db2.gz ZYIANWFSNXNCFU-XLAORIBOSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246750640 1141050600 /nfs/dbraw/zinc/05/06/00/1141050600.db2.gz ZYIANWFSNXNCFU-XLAORIBOSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772277 1141056288 /nfs/dbraw/zinc/05/62/88/1141056288.db2.gz ZYIANWFSNXNCFU-BSDSXHPESA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246772277 1141056297 /nfs/dbraw/zinc/05/62/97/1141056297.db2.gz ZYIANWFSNXNCFU-BSDSXHPESA-N 2 1 308.466 2.201 20 30 DEEDMP Cc1cc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)ccc1C#N ZINC001248895151 1141831895 /nfs/dbraw/zinc/83/18/95/1141831895.db2.gz ANKFHIFZQALPRU-HNNXBMFYSA-N 2 1 311.389 2.306 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860224 1141894071 /nfs/dbraw/zinc/89/40/71/1141894071.db2.gz OXZSUNOXGCDLGR-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324470899 1142083996 /nfs/dbraw/zinc/08/39/96/1142083996.db2.gz TXWAOXADEZVQBL-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638783 1143293446 /nfs/dbraw/zinc/29/34/46/1143293446.db2.gz QLWXXHCMKSLDDG-VQIMIIECSA-N 2 1 312.461 2.216 20 30 DEEDMP CN1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255423018 1143611583 /nfs/dbraw/zinc/61/15/83/1143611583.db2.gz WPCGHYSNALCBRN-FHWLQOOXSA-N 2 1 312.461 2.334 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC=C)CC1 ZINC001281017954 1143867129 /nfs/dbraw/zinc/86/71/29/1143867129.db2.gz WCASSSJXXRGWGU-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC=C)CC1 ZINC001281017954 1143867133 /nfs/dbraw/zinc/86/71/33/1143867133.db2.gz WCASSSJXXRGWGU-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001264126633 1144476447 /nfs/dbraw/zinc/47/64/47/1144476447.db2.gz VWMNUBPYERXUCG-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264176790 1144495216 /nfs/dbraw/zinc/49/52/16/1144495216.db2.gz OICRIZLBOHONPE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001264655576 1144586034 /nfs/dbraw/zinc/58/60/34/1144586034.db2.gz GIKWUGHKIBQOGL-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001264745500 1144604872 /nfs/dbraw/zinc/60/48/72/1144604872.db2.gz IYAIUQWZSFKUCX-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001265862702 1144748658 /nfs/dbraw/zinc/74/86/58/1144748658.db2.gz HWCZZOOLRVINCC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001265862702 1144748659 /nfs/dbraw/zinc/74/86/59/1144748659.db2.gz HWCZZOOLRVINCC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001265862702 1144748661 /nfs/dbraw/zinc/74/86/61/1144748661.db2.gz HWCZZOOLRVINCC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001266183750 1144812262 /nfs/dbraw/zinc/81/22/62/1144812262.db2.gz PITNJBHDUIPXDD-NVXWUHKLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266194875 1144813120 /nfs/dbraw/zinc/81/31/20/1144813120.db2.gz JDICHYZSVQFVLL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266230885 1144816800 /nfs/dbraw/zinc/81/68/00/1144816800.db2.gz VWURVSLQIDDBKY-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001280308900 1144835407 /nfs/dbraw/zinc/83/54/07/1144835407.db2.gz WNHBTVHYWUWQET-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777220 1144854831 /nfs/dbraw/zinc/85/48/31/1144854831.db2.gz OTKOBNFAIDNORD-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777220 1144854833 /nfs/dbraw/zinc/85/48/33/1144854833.db2.gz OTKOBNFAIDNORD-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565897 1144897741 /nfs/dbraw/zinc/89/77/41/1144897741.db2.gz AMOQFOCHBWMIMA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001282263659 1145026198 /nfs/dbraw/zinc/02/61/98/1145026198.db2.gz PFKCEZQUNYBZQT-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C ZINC001282559454 1145087554 /nfs/dbraw/zinc/08/75/54/1145087554.db2.gz YLBUNRIMZFAAED-ROUUACIJSA-N 2 1 321.509 2.203 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C ZINC001282559454 1145087563 /nfs/dbraw/zinc/08/75/63/1145087563.db2.gz YLBUNRIMZFAAED-ROUUACIJSA-N 2 1 321.509 2.203 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739108 1145528222 /nfs/dbraw/zinc/52/82/22/1145528222.db2.gz XNEPUFYUTMGPIR-FUHWJXTLSA-N 2 1 304.482 2.171 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001284544900 1145869400 /nfs/dbraw/zinc/86/94/00/1145869400.db2.gz QADHEKXAKOXJNY-SFHVURJKSA-N 2 1 321.509 2.443 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491884225 1146952294 /nfs/dbraw/zinc/95/22/94/1146952294.db2.gz QOBTWPIVVIOXNK-HOTGVXAUSA-N 2 1 304.438 2.175 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001316934133 1147634308 /nfs/dbraw/zinc/63/43/08/1147634308.db2.gz SQHQKSPHIOOQLI-UHFFFAOYSA-N 2 1 321.509 2.445 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317036568 1147650937 /nfs/dbraw/zinc/65/09/37/1147650937.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317036568 1147650939 /nfs/dbraw/zinc/65/09/39/1147650939.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317036568 1147650941 /nfs/dbraw/zinc/65/09/41/1147650941.db2.gz GVMCVHDIPJDUGI-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001317221996 1147679262 /nfs/dbraw/zinc/67/92/62/1147679262.db2.gz VOVSQFQCKXTKNF-UHFFFAOYSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459497 1147712035 /nfs/dbraw/zinc/71/20/35/1147712035.db2.gz XTUGHNKZIGOFHM-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459497 1147712037 /nfs/dbraw/zinc/71/20/37/1147712037.db2.gz XTUGHNKZIGOFHM-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001317683394 1147743716 /nfs/dbraw/zinc/74/37/16/1147743716.db2.gz OUSPYMJQDONNEF-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2 ZINC001325641970 1147973187 /nfs/dbraw/zinc/97/31/87/1147973187.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001325641970 1147973192 /nfs/dbraw/zinc/97/31/92/1147973192.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001325641970 1147973194 /nfs/dbraw/zinc/97/31/94/1147973194.db2.gz BZLIBCMPUNBJRU-BJWYYQGGSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001325956083 1148024411 /nfs/dbraw/zinc/02/44/11/1148024411.db2.gz QROIOBFQVRTVSN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001325956083 1148024419 /nfs/dbraw/zinc/02/44/19/1148024419.db2.gz QROIOBFQVRTVSN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001326676416 1148199074 /nfs/dbraw/zinc/19/90/74/1148199074.db2.gz VGWUOWNOIQEXEO-UHFFFAOYSA-N 2 1 324.428 2.052 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)Cn3c[nH+]cc3C)cccc2C1 ZINC001326676416 1148199096 /nfs/dbraw/zinc/19/90/96/1148199096.db2.gz VGWUOWNOIQEXEO-UHFFFAOYSA-N 2 1 324.428 2.052 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796990 362705635 /nfs/dbraw/zinc/70/56/35/362705635.db2.gz JVHHHNXQMOOKCP-MAUKXSAKSA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796990 362705638 /nfs/dbraw/zinc/70/56/38/362705638.db2.gz JVHHHNXQMOOKCP-MAUKXSAKSA-N 2 1 316.449 2.180 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786633 357613416 /nfs/dbraw/zinc/61/34/16/357613416.db2.gz JXTRNTLBKROVIB-UHFFFAOYSA-N 2 1 307.482 2.239 20 30 DEEDMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000593915188 358171972 /nfs/dbraw/zinc/17/19/72/358171972.db2.gz SCUPLYOFDXPFOA-MRXNPFEDSA-N 2 1 308.470 2.168 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000619508225 363813972 /nfs/dbraw/zinc/81/39/72/363813972.db2.gz VRTINICRXSUSDE-IEBWSBKVSA-N 2 1 313.445 2.372 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000619508224 363814120 /nfs/dbraw/zinc/81/41/20/363814120.db2.gz VRTINICRXSUSDE-HKUYNNGSSA-N 2 1 313.445 2.372 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458327404 248263541 /nfs/dbraw/zinc/26/35/41/248263541.db2.gz WEFFZXZUMRYLEZ-MRXNPFEDSA-N 2 1 322.497 2.058 20 30 DEEDMP C=CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000681547801 542168721 /nfs/dbraw/zinc/16/87/21/542168721.db2.gz OHFKMPYYDXRULT-UHFFFAOYSA-N 2 1 301.390 2.326 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001354500963 1151899463 /nfs/dbraw/zinc/89/94/63/1151899463.db2.gz XEQOQFREWZJHIW-ROUUACIJSA-N 2 1 315.461 2.369 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)NC1CC1 ZINC000078748072 401864181 /nfs/dbraw/zinc/86/41/81/401864181.db2.gz SCJOMRMJQRXPFS-QGZVFWFLSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155851 402199343 /nfs/dbraw/zinc/19/93/43/402199343.db2.gz CHGZQJAZCMMYHF-QGZVFWFLSA-N 2 1 316.449 2.313 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171723081 402615114 /nfs/dbraw/zinc/61/51/14/402615114.db2.gz RASMFLQOEFRPFQ-JKSUJKDBSA-N 2 1 322.497 2.056 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)N1 ZINC000262639646 402728795 /nfs/dbraw/zinc/72/87/95/402728795.db2.gz HNQYFNZPQIZIGS-GJZGRUSLSA-N 2 1 300.450 2.498 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674427 403026078 /nfs/dbraw/zinc/02/60/78/403026078.db2.gz YUJNZAWMRDZTJY-KKUMJFAQSA-N 2 1 318.440 2.460 20 30 DEEDMP C#CCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285895346 403405498 /nfs/dbraw/zinc/40/54/98/403405498.db2.gz KCUTYNAAWWFSHA-FQEVSTJZSA-N 2 1 311.473 2.292 20 30 DEEDMP Cn1cncc1CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900112 /nfs/dbraw/zinc/90/01/12/403900112.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 2 1 323.444 2.042 20 30 DEEDMP Cn1cncc1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000289295934 403900117 /nfs/dbraw/zinc/90/01/17/403900117.db2.gz HRPKDHIVZFIBBV-UHFFFAOYSA-N 2 1 323.444 2.042 20 30 DEEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289360623 403927262 /nfs/dbraw/zinc/92/72/62/403927262.db2.gz HGCWSBDCBBUINB-MRXNPFEDSA-N 2 1 302.466 2.435 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000329815336 404460957 /nfs/dbraw/zinc/46/09/57/404460957.db2.gz VERHZGBBEZUEEH-CVEARBPZSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1nccn1CC[NH+]=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000329815336 404460962 /nfs/dbraw/zinc/46/09/62/404460962.db2.gz VERHZGBBEZUEEH-CVEARBPZSA-N 2 1 319.453 2.053 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000375908868 404769958 /nfs/dbraw/zinc/76/99/58/404769958.db2.gz ZJIARPVVUZVMKH-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP C[NH+](C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000353454666 404835269 /nfs/dbraw/zinc/83/52/69/404835269.db2.gz LEZWBHVRNMSDGH-LJQANCHMSA-N 2 1 312.461 2.457 20 30 DEEDMP C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310722 404925356 /nfs/dbraw/zinc/92/53/56/404925356.db2.gz CXDNWILBERIMGZ-DLBZAZTESA-N 2 1 306.498 2.274 20 30 DEEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000354100179 405043618 /nfs/dbraw/zinc/04/36/18/405043618.db2.gz KEMORMVHZBINSV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC000440624100 405320131 /nfs/dbraw/zinc/32/01/31/405320131.db2.gz MKMRKFQEISNKND-OAHLLOKOSA-N 2 1 317.433 2.157 20 30 DEEDMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC000440624100 405320134 /nfs/dbraw/zinc/32/01/34/405320134.db2.gz MKMRKFQEISNKND-OAHLLOKOSA-N 2 1 317.433 2.157 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)OCC[N@H+](C)Cc2ccccc2)CC1 ZINC000491819885 406735966 /nfs/dbraw/zinc/73/59/66/406735966.db2.gz PJYSAXWHIPJNSY-UHFFFAOYSA-N 2 1 314.429 2.007 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000573084190 406769899 /nfs/dbraw/zinc/76/98/99/406769899.db2.gz NNLITPMYYREKQR-SFHVURJKSA-N 2 1 318.461 2.283 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nn1 ZINC000662295567 425615940 /nfs/dbraw/zinc/61/59/40/425615940.db2.gz VFBYUIKDDDKYRW-MRXNPFEDSA-N 2 1 303.454 2.066 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423636112 1173458788 /nfs/dbraw/zinc/45/87/88/1173458788.db2.gz LDWQCAIEUKIYKC-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000566106883 341547901 /nfs/dbraw/zinc/54/79/01/341547901.db2.gz BNEWOYYRMVDREK-INIZCTEOSA-N 2 1 300.406 2.160 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327450248 1148558509 /nfs/dbraw/zinc/55/85/09/1148558509.db2.gz XVRUFJNKFHJAIG-QGZVFWFLSA-N 2 1 319.493 2.243 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)C[C@H]1CCOC1 ZINC000261730944 526348194 /nfs/dbraw/zinc/34/81/94/526348194.db2.gz YEGYFSDMIFAECC-JKSUJKDBSA-N 2 1 324.513 2.041 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262194140 526371554 /nfs/dbraw/zinc/37/15/54/526371554.db2.gz GLCQWGPDZQLFPE-MWDXBVQZSA-N 2 1 306.498 2.462 20 30 DEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccccc1 ZINC000262776417 526378294 /nfs/dbraw/zinc/37/82/94/526378294.db2.gz JLHDOCWDSNXFNU-QGZVFWFLSA-N 2 1 320.506 2.131 20 30 DEEDMP C[NH+]=C(NCc1ncccc1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262815878 526391037 /nfs/dbraw/zinc/39/10/37/526391037.db2.gz WLZIUPDBJILSBM-MQVJKMGUSA-N 2 1 315.465 2.070 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264122943 526575795 /nfs/dbraw/zinc/57/57/95/526575795.db2.gz VPZDVSRMYQBPIN-KRWDZBQOSA-N 2 1 300.450 2.031 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909087 526830395 /nfs/dbraw/zinc/83/03/95/526830395.db2.gz GCXCXLDPNBNCTA-QGZVFWFLSA-N 3 1 317.477 2.233 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909087 526830401 /nfs/dbraw/zinc/83/04/01/526830401.db2.gz GCXCXLDPNBNCTA-QGZVFWFLSA-N 3 1 317.477 2.233 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000262115840 526871681 /nfs/dbraw/zinc/87/16/81/526871681.db2.gz WXWAIZZYRULUCK-SFHVURJKSA-N 2 1 302.418 2.445 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000262115840 526871687 /nfs/dbraw/zinc/87/16/87/526871687.db2.gz WXWAIZZYRULUCK-SFHVURJKSA-N 2 1 302.418 2.445 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCSC(C)(C)C2)C1 ZINC000261755583 528256295 /nfs/dbraw/zinc/25/62/95/528256295.db2.gz CMRWTUHIEAVZDX-CQSZACIVSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267595749 529073371 /nfs/dbraw/zinc/07/33/71/529073371.db2.gz VZEDGSNCWQRILI-IAGOWNOFSA-N 2 1 317.481 2.210 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393858 529100534 /nfs/dbraw/zinc/10/05/34/529100534.db2.gz DNLHJWSNWFHZGB-LBPRGKRZSA-N 2 1 323.510 2.329 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267436120 529101371 /nfs/dbraw/zinc/10/13/71/529101371.db2.gz NUWWQIIYHHYSKD-KBPBESRZSA-N 2 1 308.495 2.315 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001379355213 1152614551 /nfs/dbraw/zinc/61/45/51/1152614551.db2.gz CFUULZMDKAMZOY-OLZOCXBDSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144901 622589272 /nfs/dbraw/zinc/58/92/72/622589272.db2.gz WCDZEKWQYSPZBX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144901 622589275 /nfs/dbraw/zinc/58/92/75/622589275.db2.gz WCDZEKWQYSPZBX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144901 622589278 /nfs/dbraw/zinc/58/92/78/622589278.db2.gz WCDZEKWQYSPZBX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082050 624193913 /nfs/dbraw/zinc/19/39/13/624193913.db2.gz VBBVKGYTHBPEDT-ZACQAIPSSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022710569 624860110 /nfs/dbraw/zinc/86/01/10/624860110.db2.gz KCCDWSHQSHKNGI-VBQJREDUSA-N 2 1 311.445 2.012 20 30 DEEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000161503919 625103760 /nfs/dbraw/zinc/10/37/60/625103760.db2.gz GTDWSXRKYBVAHO-QGZVFWFLSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402665 625255658 /nfs/dbraw/zinc/25/56/58/625255658.db2.gz QKUAZRXWHVUIGN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402665 625255660 /nfs/dbraw/zinc/25/56/60/625255660.db2.gz QKUAZRXWHVUIGN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411834 625259310 /nfs/dbraw/zinc/25/93/10/625259310.db2.gz JUGDZHQCNDALSV-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411834 625259316 /nfs/dbraw/zinc/25/93/16/625259316.db2.gz JUGDZHQCNDALSV-CVEARBPZSA-N 2 1 316.449 2.165 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613949 625930093 /nfs/dbraw/zinc/93/00/93/625930093.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613949 625930099 /nfs/dbraw/zinc/93/00/99/625930099.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613949 625930106 /nfs/dbraw/zinc/93/01/06/625930106.db2.gz DVBXVRFCADQDSP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995999714 633158742 /nfs/dbraw/zinc/15/87/42/633158742.db2.gz ZLKYHPJSGVVPQU-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299938 633232119 /nfs/dbraw/zinc/23/21/19/633232119.db2.gz HCGYAGWJSVEPGT-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865807 633340657 /nfs/dbraw/zinc/34/06/57/633340657.db2.gz VQJBYTOXFKBOQM-DLBZAZTESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029382 633399893 /nfs/dbraw/zinc/39/98/93/633399893.db2.gz ANUQVUNUESOHCS-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029382 633399896 /nfs/dbraw/zinc/39/98/96/633399896.db2.gz ANUQVUNUESOHCS-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505114 633915750 /nfs/dbraw/zinc/91/57/50/633915750.db2.gz KEJYHKFTJONBBM-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486778 635018517 /nfs/dbraw/zinc/01/85/17/635018517.db2.gz XAJUTMJOERDYON-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003004 635213403 /nfs/dbraw/zinc/21/34/03/635213403.db2.gz JSIVHJDJVNXSCO-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000887972 635330059 /nfs/dbraw/zinc/33/00/59/635330059.db2.gz WHTCYLFTRUFIGO-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000887972 635330068 /nfs/dbraw/zinc/33/00/68/635330068.db2.gz WHTCYLFTRUFIGO-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000887972 635330073 /nfs/dbraw/zinc/33/00/73/635330073.db2.gz WHTCYLFTRUFIGO-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000908154 635338869 /nfs/dbraw/zinc/33/88/69/635338869.db2.gz ADIHFAFICLYCQN-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=C(Cl)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000981197567 635358384 /nfs/dbraw/zinc/35/83/84/635358384.db2.gz IYZWBAMBBKWFNE-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001001003501 635375925 /nfs/dbraw/zinc/37/59/25/635375925.db2.gz AOBBCHRFRHKZIW-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981841448 635684378 /nfs/dbraw/zinc/68/43/78/635684378.db2.gz CRBQRMYKRHSIAS-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002809512 635802115 /nfs/dbraw/zinc/80/21/15/635802115.db2.gz HFQLATMOUWSWQS-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013283 635810670 /nfs/dbraw/zinc/81/06/70/635810670.db2.gz PPMHSZOZQIQLFZ-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013283 635810671 /nfs/dbraw/zinc/81/06/71/635810671.db2.gz PPMHSZOZQIQLFZ-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013283 635810673 /nfs/dbraw/zinc/81/06/73/635810673.db2.gz PPMHSZOZQIQLFZ-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982161871 635889878 /nfs/dbraw/zinc/88/98/78/635889878.db2.gz AQLHUAQVKQKMFR-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230720 635925341 /nfs/dbraw/zinc/92/53/41/635925341.db2.gz QRSBESZDGNNNLG-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941433 636089834 /nfs/dbraw/zinc/08/98/34/636089834.db2.gz ZUXZGMBSHNLTHY-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001028335097 636136430 /nfs/dbraw/zinc/13/64/30/636136430.db2.gz NQNLGRXBTGEGHL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335097 636136432 /nfs/dbraw/zinc/13/64/32/636136432.db2.gz NQNLGRXBTGEGHL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001028335097 636136433 /nfs/dbraw/zinc/13/64/33/636136433.db2.gz NQNLGRXBTGEGHL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618356 636503391 /nfs/dbraw/zinc/50/33/91/636503391.db2.gz VWLWNDRASNNFKS-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618356 636503397 /nfs/dbraw/zinc/50/33/97/636503397.db2.gz VWLWNDRASNNFKS-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618356 636503403 /nfs/dbraw/zinc/50/34/03/636503403.db2.gz VWLWNDRASNNFKS-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923347813 637125186 /nfs/dbraw/zinc/12/51/86/637125186.db2.gz XQGDHBJSLOZIDR-CABCVRRESA-N 2 1 321.490 2.414 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923347813 637125190 /nfs/dbraw/zinc/12/51/90/637125190.db2.gz XQGDHBJSLOZIDR-CABCVRRESA-N 2 1 321.490 2.414 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000985742599 639611195 /nfs/dbraw/zinc/61/11/95/639611195.db2.gz GALKJURGNYZCPB-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951215349 639950396 /nfs/dbraw/zinc/95/03/96/639950396.db2.gz ZAQVUOSHGVQJMB-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000951215349 639950397 /nfs/dbraw/zinc/95/03/97/639950397.db2.gz ZAQVUOSHGVQJMB-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987102715 640087277 /nfs/dbraw/zinc/08/72/77/640087277.db2.gz BHJKNZOCFRVGRO-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000764578292 640657503 /nfs/dbraw/zinc/65/75/03/640657503.db2.gz RIMNCYFCHVUINL-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433514 641207774 /nfs/dbraw/zinc/20/77/74/641207774.db2.gz KQTYDZXCYXEXEG-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433514 641207775 /nfs/dbraw/zinc/20/77/75/641207775.db2.gz KQTYDZXCYXEXEG-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433514 641207777 /nfs/dbraw/zinc/20/77/77/641207777.db2.gz KQTYDZXCYXEXEG-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000989728099 641211440 /nfs/dbraw/zinc/21/14/40/641211440.db2.gz AXBUEENHJYGJQW-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000900333569 642323443 /nfs/dbraw/zinc/32/34/43/642323443.db2.gz BXPONDIJYYPRQO-FUHWJXTLSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000911913800 645877060 /nfs/dbraw/zinc/87/70/60/645877060.db2.gz GSWSTNIIHFPJET-IBGZPJMESA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185645 646891967 /nfs/dbraw/zinc/89/19/67/646891967.db2.gz CGKZYVMQGXOLRC-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185645 646891970 /nfs/dbraw/zinc/89/19/70/646891970.db2.gz CGKZYVMQGXOLRC-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992194294 646896322 /nfs/dbraw/zinc/89/63/22/646896322.db2.gz XMTAAQMQKMZYOB-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992194294 646896324 /nfs/dbraw/zinc/89/63/24/646896324.db2.gz XMTAAQMQKMZYOB-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992194294 646896325 /nfs/dbraw/zinc/89/63/25/646896325.db2.gz XMTAAQMQKMZYOB-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992435475 647000580 /nfs/dbraw/zinc/00/05/80/647000580.db2.gz UWEWBRRWLBJQOM-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435475 647000581 /nfs/dbraw/zinc/00/05/81/647000581.db2.gz UWEWBRRWLBJQOM-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435475 647000596 /nfs/dbraw/zinc/00/05/96/647000596.db2.gz UWEWBRRWLBJQOM-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437603 647462099 /nfs/dbraw/zinc/46/20/99/647462099.db2.gz QHCLFNPBZFQBLR-MRXNPFEDSA-N 2 1 302.466 2.235 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993619003 647708249 /nfs/dbraw/zinc/70/82/49/647708249.db2.gz WCUOAIIERDDLFU-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134672 647791953 /nfs/dbraw/zinc/79/19/53/647791953.db2.gz PORDLELOVZQWKD-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881712 648509302 /nfs/dbraw/zinc/50/93/02/648509302.db2.gz HNKLHESVMFLYFD-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785077 648941531 /nfs/dbraw/zinc/94/15/31/648941531.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785077 648941532 /nfs/dbraw/zinc/94/15/32/648941532.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785077 648941533 /nfs/dbraw/zinc/94/15/33/648941533.db2.gz HBFGFMLNZGVSJO-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896064 648964596 /nfs/dbraw/zinc/96/45/96/648964596.db2.gz RVIXMQQIRYJZGN-QGZVFWFLSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027311 648988471 /nfs/dbraw/zinc/98/84/71/648988471.db2.gz VFKUNFJZYAWHGB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027311 648988473 /nfs/dbraw/zinc/98/84/73/648988473.db2.gz VFKUNFJZYAWHGB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027311 648988477 /nfs/dbraw/zinc/98/84/77/648988477.db2.gz VFKUNFJZYAWHGB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942301537 649200682 /nfs/dbraw/zinc/20/06/82/649200682.db2.gz GWBWXSRUIGGCMP-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514983 649387037 /nfs/dbraw/zinc/38/70/37/649387037.db2.gz DRZNZZNOMFUXSI-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCSCC(C)C ZINC000305286474 685286991 /nfs/dbraw/zinc/28/69/91/685286991.db2.gz FDVXWRYYCRICIZ-CQSZACIVSA-N 2 1 300.516 2.154 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000126854968 684157590 /nfs/dbraw/zinc/15/75/90/684157590.db2.gz YGHPZTZCXFKYKG-AWEZNQCLSA-N 2 1 324.538 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154761 693865354 /nfs/dbraw/zinc/86/53/54/693865354.db2.gz VOUWVMYPWWNNCE-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191937 693876239 /nfs/dbraw/zinc/87/62/39/693876239.db2.gz PDTRJKYTAOWKLH-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000303781071 685234360 /nfs/dbraw/zinc/23/43/60/685234360.db2.gz MBGDDFOGCLZYBF-DOTOQJQBSA-N 2 1 302.466 2.206 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000303893925 685239313 /nfs/dbraw/zinc/23/93/13/685239313.db2.gz SFYZGSFPNIJWTJ-JKSUJKDBSA-N 2 1 314.477 2.480 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000303893925 685239318 /nfs/dbraw/zinc/23/93/18/685239318.db2.gz SFYZGSFPNIJWTJ-JKSUJKDBSA-N 2 1 314.477 2.480 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)cn1 ZINC000303911904 685240408 /nfs/dbraw/zinc/24/04/08/685240408.db2.gz ZXHAIAAMOQCKGS-ZDUSSCGKSA-N 2 1 312.421 2.122 20 30 DEEDMP CCO[C@H](CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)C1CCCC1 ZINC000304473881 685255227 /nfs/dbraw/zinc/25/52/27/685255227.db2.gz FUSPKGBQBFCNAR-IAGOWNOFSA-N 2 1 324.513 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016383557 687607584 /nfs/dbraw/zinc/60/75/84/687607584.db2.gz JNEAQXQMDGQDLF-AWEZNQCLSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016383557 687607587 /nfs/dbraw/zinc/60/75/87/687607587.db2.gz JNEAQXQMDGQDLF-AWEZNQCLSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016931965 687736465 /nfs/dbraw/zinc/73/64/65/687736465.db2.gz ZFHLVXGCKUGULX-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658555 687934408 /nfs/dbraw/zinc/93/44/08/687934408.db2.gz HHJFKSPEQFAAPH-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017658555 687934410 /nfs/dbraw/zinc/93/44/10/687934410.db2.gz HHJFKSPEQFAAPH-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017658555 687934413 /nfs/dbraw/zinc/93/44/13/687934413.db2.gz HHJFKSPEQFAAPH-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017658555 687934417 /nfs/dbraw/zinc/93/44/17/687934417.db2.gz HHJFKSPEQFAAPH-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823894 694250081 /nfs/dbraw/zinc/25/00/81/694250081.db2.gz YBMRGYDTGLBBRJ-UHFFFAOYSA-N 2 1 313.445 2.472 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001032433220 689149496 /nfs/dbraw/zinc/14/94/96/689149496.db2.gz LVZALCFDHUEGNT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001032433220 689149498 /nfs/dbraw/zinc/14/94/98/689149498.db2.gz LVZALCFDHUEGNT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001032433220 689149499 /nfs/dbraw/zinc/14/94/99/689149499.db2.gz LVZALCFDHUEGNT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466207 689511590 /nfs/dbraw/zinc/51/15/90/689511590.db2.gz JGGKNWFDQUGIGZ-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466207 689511594 /nfs/dbraw/zinc/51/15/94/689511594.db2.gz JGGKNWFDQUGIGZ-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573978 689547767 /nfs/dbraw/zinc/54/77/67/689547767.db2.gz KYOJIQWKOHUVEY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573978 689547771 /nfs/dbraw/zinc/54/77/71/689547771.db2.gz KYOJIQWKOHUVEY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573978 689547775 /nfs/dbraw/zinc/54/77/75/689547775.db2.gz KYOJIQWKOHUVEY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573978 689547777 /nfs/dbraw/zinc/54/77/77/689547777.db2.gz KYOJIQWKOHUVEY-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CCCC[N@H+](CC(=O)NCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034339 694299165 /nfs/dbraw/zinc/29/91/65/694299165.db2.gz ZGTCSKNNILNBIZ-UHFFFAOYSA-N 2 1 322.497 2.428 20 30 DEEDMP CCCC[N@@H+](CC(=O)NCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034339 694299166 /nfs/dbraw/zinc/29/91/66/694299166.db2.gz ZGTCSKNNILNBIZ-UHFFFAOYSA-N 2 1 322.497 2.428 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699611 689588758 /nfs/dbraw/zinc/58/87/58/689588758.db2.gz ONNIHTNSCVRUPY-OAHLLOKOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875246528 689594972 /nfs/dbraw/zinc/59/49/72/689594972.db2.gz HIXSOOFZNCGOCI-UHFFFAOYSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257539 689784481 /nfs/dbraw/zinc/78/44/81/689784481.db2.gz KNUMQDBOSYVNLW-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257537 689784649 /nfs/dbraw/zinc/78/46/49/689784649.db2.gz KNUMQDBOSYVNLW-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034462907 689858517 /nfs/dbraw/zinc/85/85/17/689858517.db2.gz QBRVMVRETHXASC-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000876724706 689916210 /nfs/dbraw/zinc/91/62/10/689916210.db2.gz GKGDLYFYULXAKU-ZIAGYGMSSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778982 689934864 /nfs/dbraw/zinc/93/48/64/689934864.db2.gz UBDMHHHTKFYENS-ZBFHGGJFSA-N 2 1 323.868 2.483 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876875741 689961031 /nfs/dbraw/zinc/96/10/31/689961031.db2.gz YYHWHJIBADKTSB-HOTGVXAUSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223670 690065086 /nfs/dbraw/zinc/06/50/86/690065086.db2.gz UYCCIROIIMNSPV-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039116092 691024236 /nfs/dbraw/zinc/02/42/36/691024236.db2.gz QLYFZTQBXNSLQD-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116092 691024238 /nfs/dbraw/zinc/02/42/38/691024238.db2.gz QLYFZTQBXNSLQD-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116092 691024240 /nfs/dbraw/zinc/02/42/40/691024240.db2.gz QLYFZTQBXNSLQD-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173385 691039192 /nfs/dbraw/zinc/03/91/92/691039192.db2.gz VMNQKKFGHABXCQ-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224224 691060293 /nfs/dbraw/zinc/06/02/93/691060293.db2.gz DPODJPWFCBHANA-IAGOWNOFSA-N 2 1 316.449 2.162 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244321 691066713 /nfs/dbraw/zinc/06/67/13/691066713.db2.gz XRBCWVHIWYIBNH-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000931546299 694425122 /nfs/dbraw/zinc/42/51/22/694425122.db2.gz KPSWPDLYMYMTBW-FUHWJXTLSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000931546299 694425125 /nfs/dbraw/zinc/42/51/25/694425125.db2.gz KPSWPDLYMYMTBW-FUHWJXTLSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000931546299 694425126 /nfs/dbraw/zinc/42/51/26/694425126.db2.gz KPSWPDLYMYMTBW-FUHWJXTLSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000931546299 694425130 /nfs/dbraw/zinc/42/51/30/694425130.db2.gz KPSWPDLYMYMTBW-FUHWJXTLSA-N 2 1 311.429 2.023 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039446238 691107711 /nfs/dbraw/zinc/10/77/11/691107711.db2.gz ZJIITJPKWZOOHQ-CVEARBPZSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039446238 691107712 /nfs/dbraw/zinc/10/77/12/691107712.db2.gz ZJIITJPKWZOOHQ-CVEARBPZSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040241438 691218920 /nfs/dbraw/zinc/21/89/20/691218920.db2.gz OVKSYCIXRBJFEH-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040293365 691226564 /nfs/dbraw/zinc/22/65/64/691226564.db2.gz WJHTWGAJKKPPHN-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040293365 691226565 /nfs/dbraw/zinc/22/65/65/691226565.db2.gz WJHTWGAJKKPPHN-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040293366 691226854 /nfs/dbraw/zinc/22/68/54/691226854.db2.gz WJHTWGAJKKPPHN-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040293366 691226857 /nfs/dbraw/zinc/22/68/57/691226857.db2.gz WJHTWGAJKKPPHN-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040542926 691263434 /nfs/dbraw/zinc/26/34/34/691263434.db2.gz GRAFEUBGJMFHBH-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542926 691263436 /nfs/dbraw/zinc/26/34/36/691263436.db2.gz GRAFEUBGJMFHBH-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542926 691263439 /nfs/dbraw/zinc/26/34/39/691263439.db2.gz GRAFEUBGJMFHBH-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729182 691282733 /nfs/dbraw/zinc/28/27/33/691282733.db2.gz DOPVRFIGAYUTAS-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041307013 691359171 /nfs/dbraw/zinc/35/91/71/691359171.db2.gz MKLAURNOOMZXIV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307013 691359175 /nfs/dbraw/zinc/35/91/75/691359175.db2.gz MKLAURNOOMZXIV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307013 691359179 /nfs/dbraw/zinc/35/91/79/691359179.db2.gz MKLAURNOOMZXIV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000883131218 691435787 /nfs/dbraw/zinc/43/57/87/691435787.db2.gz PFJMGTMZDDTWDG-UHFFFAOYSA-N 2 1 303.431 2.350 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1cc(OCC)c(OC)cc1F ZINC000883131043 691436090 /nfs/dbraw/zinc/43/60/90/691436090.db2.gz DBFPZHPVHVFZMH-UHFFFAOYSA-N 2 1 308.397 2.278 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000883186266 691452355 /nfs/dbraw/zinc/45/23/55/691452355.db2.gz OJHKFOCOQUUIEZ-QZTJIDSGSA-N 2 1 309.498 2.117 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063532 691495262 /nfs/dbraw/zinc/49/52/62/691495262.db2.gz YNYFLAYSTTUAMC-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122416 691514164 /nfs/dbraw/zinc/51/41/64/691514164.db2.gz NHRUOOCBUAHJEX-YJBOKZPZSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156062 691524418 /nfs/dbraw/zinc/52/44/18/691524418.db2.gz GKBGHXLZFHINNG-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(Cl)CN1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314247 692149474 /nfs/dbraw/zinc/14/94/74/692149474.db2.gz ABWKSMHAUQZLLB-ZBFHGGJFSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560903 692647280 /nfs/dbraw/zinc/64/72/80/692647280.db2.gz XVWMSSUUQIJJPL-VBUUOAMHSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562663 692648392 /nfs/dbraw/zinc/64/83/92/692648392.db2.gz QBFOLAHISXCNDE-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562663 692648394 /nfs/dbraw/zinc/64/83/94/692648394.db2.gz QBFOLAHISXCNDE-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562663 692648395 /nfs/dbraw/zinc/64/83/95/692648395.db2.gz QBFOLAHISXCNDE-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048590670 692655579 /nfs/dbraw/zinc/65/55/79/692655579.db2.gz VUIXGMOYJPZGJR-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590670 692655582 /nfs/dbraw/zinc/65/55/82/692655582.db2.gz VUIXGMOYJPZGJR-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590670 692655583 /nfs/dbraw/zinc/65/55/83/692655583.db2.gz VUIXGMOYJPZGJR-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001531 692740843 /nfs/dbraw/zinc/74/08/43/692740843.db2.gz XVPFCEWESNJQMC-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001531 692740848 /nfs/dbraw/zinc/74/08/48/692740848.db2.gz XVPFCEWESNJQMC-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001531 692740853 /nfs/dbraw/zinc/74/08/53/692740853.db2.gz XVPFCEWESNJQMC-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235653 692796352 /nfs/dbraw/zinc/79/63/52/692796352.db2.gz QJSLNHBZYDVEIY-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719849 692974293 /nfs/dbraw/zinc/97/42/93/692974293.db2.gz UIOMYZFTRCGXMT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719849 692974295 /nfs/dbraw/zinc/97/42/95/692974295.db2.gz UIOMYZFTRCGXMT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719849 692974298 /nfs/dbraw/zinc/97/42/98/692974298.db2.gz UIOMYZFTRCGXMT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920602 693047833 /nfs/dbraw/zinc/04/78/33/693047833.db2.gz SOLDRGAYBIHKDW-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543762 693204428 /nfs/dbraw/zinc/20/44/28/693204428.db2.gz LMJYKNRQYSQSIL-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664655 693227712 /nfs/dbraw/zinc/22/77/12/693227712.db2.gz PJAMVQCFOHAGPQ-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925645596 693315955 /nfs/dbraw/zinc/31/59/55/693315955.db2.gz QVTJNRCODXMYSV-LYAPFXNSSA-N 2 1 314.433 2.373 20 30 DEEDMP N#Cc1ccc(NCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000925894258 693361437 /nfs/dbraw/zinc/36/14/37/693361437.db2.gz VPVVTJHYXNQNDC-ZWKOTPCHSA-N 2 1 321.428 2.448 20 30 DEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000926784202 693510843 /nfs/dbraw/zinc/51/08/43/693510843.db2.gz DHCJDXUTWWNYNI-XEWABKELSA-N 2 1 324.472 2.457 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052367844 693516013 /nfs/dbraw/zinc/51/60/13/693516013.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367844 693516015 /nfs/dbraw/zinc/51/60/15/693516015.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367844 693516016 /nfs/dbraw/zinc/51/60/16/693516016.db2.gz BYVSQJGYHCQKIO-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590747 693573931 /nfs/dbraw/zinc/57/39/31/693573931.db2.gz FZYDAGGYPOFXLO-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052712291 693601159 /nfs/dbraw/zinc/60/11/59/693601159.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712291 693601161 /nfs/dbraw/zinc/60/11/61/693601161.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712291 693601162 /nfs/dbraw/zinc/60/11/62/693601162.db2.gz GRJGUGLEVOOJQS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765193 693614735 /nfs/dbraw/zinc/61/47/35/693614735.db2.gz WYOJYHPOEACKTC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820340 693625506 /nfs/dbraw/zinc/62/55/06/693625506.db2.gz OBXHWWCJSSSWBS-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052866017 693636933 /nfs/dbraw/zinc/63/69/33/693636933.db2.gz UDFDZTCVHWZCSC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052866017 693636936 /nfs/dbraw/zinc/63/69/36/693636936.db2.gz UDFDZTCVHWZCSC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052866017 693636939 /nfs/dbraw/zinc/63/69/39/693636939.db2.gz UDFDZTCVHWZCSC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871580 693637911 /nfs/dbraw/zinc/63/79/11/693637911.db2.gz LEOYWCAIZDFVFI-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871580 693637913 /nfs/dbraw/zinc/63/79/13/693637913.db2.gz LEOYWCAIZDFVFI-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001402416065 1162349649 /nfs/dbraw/zinc/34/96/49/1162349649.db2.gz JHGUJDDOJLPVSQ-ZFWWWQNUSA-N 2 1 315.889 2.155 20 30 DEEDMP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1Cl ZINC001349896203 1151304873 /nfs/dbraw/zinc/30/48/73/1151304873.db2.gz DYFJMXVNXSWBRU-CQSZACIVSA-N 2 1 308.813 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001382053941 1153334879 /nfs/dbraw/zinc/33/48/79/1153334879.db2.gz ZIICURBFIYHKMG-CQSZACIVSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001392197057 1156888298 /nfs/dbraw/zinc/88/82/98/1156888298.db2.gz VDZGLTXMCWDRLP-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001405969325 1164363676 /nfs/dbraw/zinc/36/36/76/1164363676.db2.gz MIWFHAGTTJKWJU-HIFRSBDPSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001407703398 1165264940 /nfs/dbraw/zinc/26/49/40/1165264940.db2.gz TXNYYQKVGLBWKG-SHTZXODSSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001419828263 1168863949 /nfs/dbraw/zinc/86/39/49/1168863949.db2.gz UDJIJDMWJDKBHG-HIFRSBDPSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001420811679 1171192176 /nfs/dbraw/zinc/19/21/76/1171192176.db2.gz ZOIUUZWNUHJHHL-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001424180775 1173687471 /nfs/dbraw/zinc/68/74/71/1173687471.db2.gz UOMZQDAMGLASBD-UONOGXRCSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805699 1180818352 /nfs/dbraw/zinc/81/83/52/1180818352.db2.gz QHMGXGWBSFFRDU-LSDHHAIUSA-N 2 1 315.889 2.342 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001442273972 1182399618 /nfs/dbraw/zinc/39/96/18/1182399618.db2.gz ANGLANSFLMQMME-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001444006748 1183251897 /nfs/dbraw/zinc/25/18/97/1183251897.db2.gz OAOUMMHPOCVDRX-ZDUSSCGKSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444880891 1183617205 /nfs/dbraw/zinc/61/72/05/1183617205.db2.gz AJBZHYCZAJVTPI-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001332221156 1149837495 /nfs/dbraw/zinc/83/74/95/1149837495.db2.gz WZZYUCNBWYAKJT-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340191 782662606 /nfs/dbraw/zinc/66/26/06/782662606.db2.gz OMZRXMXFOCQQED-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336815 782786065 /nfs/dbraw/zinc/78/60/65/782786065.db2.gz YIXSYQSPQNQEFN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336815 782786069 /nfs/dbraw/zinc/78/60/69/782786069.db2.gz YIXSYQSPQNQEFN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336815 782786073 /nfs/dbraw/zinc/78/60/73/782786073.db2.gz YIXSYQSPQNQEFN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672749 782844591 /nfs/dbraw/zinc/84/45/91/782844591.db2.gz IPZYBVAJMWBLFH-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC000947435685 783136172 /nfs/dbraw/zinc/13/61/72/783136172.db2.gz BGQCGZCJMKXLNE-HZPDHXFCSA-N 2 1 318.465 2.472 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355182 777113498 /nfs/dbraw/zinc/11/34/98/777113498.db2.gz QPACYIMJMOUAPS-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457430 790667235 /nfs/dbraw/zinc/66/72/35/790667235.db2.gz PYPGFNBPXCGYQX-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811854 779348095 /nfs/dbraw/zinc/34/80/95/779348095.db2.gz INWFDVUNMQGGTD-HRCADAONSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811854 779348100 /nfs/dbraw/zinc/34/81/00/779348100.db2.gz INWFDVUNMQGGTD-HRCADAONSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129273 779717192 /nfs/dbraw/zinc/71/71/92/779717192.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129273 779717194 /nfs/dbraw/zinc/71/71/94/779717194.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129273 779717200 /nfs/dbraw/zinc/71/72/00/779717200.db2.gz FUZKVMIPWUIGFH-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336822 779988408 /nfs/dbraw/zinc/98/84/08/779988408.db2.gz NLDUXPFSYSHAHO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001088348276 780005537 /nfs/dbraw/zinc/00/55/37/780005537.db2.gz OYMIIXJZVGNXBD-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395045 780066485 /nfs/dbraw/zinc/06/64/85/780066485.db2.gz WBHNVYQNTNOZDU-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395047 780067956 /nfs/dbraw/zinc/06/79/56/780067956.db2.gz WBHNVYQNTNOZDU-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001088424667 780106464 /nfs/dbraw/zinc/10/64/64/780106464.db2.gz CLDZQDXHFCPINF-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621345 780659891 /nfs/dbraw/zinc/65/98/91/780659891.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621345 780659892 /nfs/dbraw/zinc/65/98/92/780659892.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621345 780659898 /nfs/dbraw/zinc/65/98/98/780659898.db2.gz ADIDSLUJYRFRFJ-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203431432 780774299 /nfs/dbraw/zinc/77/42/99/780774299.db2.gz HKEADYWVPGLCBK-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883133 783257340 /nfs/dbraw/zinc/25/73/40/783257340.db2.gz YYFIFVAKDXTQFH-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948244723 783390593 /nfs/dbraw/zinc/39/05/93/783390593.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948244723 783390597 /nfs/dbraw/zinc/39/05/97/783390597.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948244723 783390601 /nfs/dbraw/zinc/39/06/01/783390601.db2.gz IYSIAIMGCJTLDE-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364328 783439823 /nfs/dbraw/zinc/43/98/23/783439823.db2.gz DLPNQCUXQSFNHF-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364328 783439829 /nfs/dbraw/zinc/43/98/29/783439829.db2.gz DLPNQCUXQSFNHF-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364328 783439836 /nfs/dbraw/zinc/43/98/36/783439836.db2.gz DLPNQCUXQSFNHF-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085389482 783666914 /nfs/dbraw/zinc/66/69/14/783666914.db2.gz KOIBZDONDAXSNR-KURKYZTESA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085432080 783680502 /nfs/dbraw/zinc/68/05/02/783680502.db2.gz HJVLMQQPTGWGHF-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905029 783811865 /nfs/dbraw/zinc/81/18/65/783811865.db2.gz WVCBGJRCVAHHBP-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085915778 784214750 /nfs/dbraw/zinc/21/47/50/784214750.db2.gz KMMGMRVECSHBLT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085915778 784214755 /nfs/dbraw/zinc/21/47/55/784214755.db2.gz KMMGMRVECSHBLT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915778 784214758 /nfs/dbraw/zinc/21/47/58/784214758.db2.gz KMMGMRVECSHBLT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915778 784214760 /nfs/dbraw/zinc/21/47/60/784214760.db2.gz KMMGMRVECSHBLT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085987700 784283614 /nfs/dbraw/zinc/28/36/14/784283614.db2.gz JJQDRIWDBPMIKM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085987700 784283622 /nfs/dbraw/zinc/28/36/22/784283622.db2.gz JJQDRIWDBPMIKM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001085987700 784283631 /nfs/dbraw/zinc/28/36/31/784283631.db2.gz JJQDRIWDBPMIKM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968863231 784625314 /nfs/dbraw/zinc/62/53/14/784625314.db2.gz BIVQQBMBKKTVLU-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863231 784625323 /nfs/dbraw/zinc/62/53/23/784625323.db2.gz BIVQQBMBKKTVLU-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968863231 784625332 /nfs/dbraw/zinc/62/53/32/784625332.db2.gz BIVQQBMBKKTVLU-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014338 784690298 /nfs/dbraw/zinc/69/02/98/784690298.db2.gz YBGCMHBQOJDQGW-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095920087 785009122 /nfs/dbraw/zinc/00/91/22/785009122.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095920087 785009126 /nfs/dbraw/zinc/00/91/26/785009126.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095920087 785009131 /nfs/dbraw/zinc/00/91/31/785009131.db2.gz GDJQGUVDJANGGR-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007956917 785058508 /nfs/dbraw/zinc/05/85/08/785058508.db2.gz ZNVAVWSNAKOUAV-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169498 785401283 /nfs/dbraw/zinc/40/12/83/785401283.db2.gz PGCOJTMDYSVEME-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169498 785401284 /nfs/dbraw/zinc/40/12/84/785401284.db2.gz PGCOJTMDYSVEME-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009169498 785401292 /nfs/dbraw/zinc/40/12/92/785401292.db2.gz PGCOJTMDYSVEME-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009169498 785401297 /nfs/dbraw/zinc/40/12/97/785401297.db2.gz PGCOJTMDYSVEME-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108822116 785562425 /nfs/dbraw/zinc/56/24/25/785562425.db2.gz WPOKJLQWYLOYJO-ULQDDVLXSA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014903462 786799169 /nfs/dbraw/zinc/79/91/69/786799169.db2.gz APHSMTYHWVCJQP-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107077 787934239 /nfs/dbraw/zinc/93/42/39/787934239.db2.gz XNFSWJSSKFLVIC-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219881 788024436 /nfs/dbraw/zinc/02/44/36/788024436.db2.gz OYPTVBPMZIWICW-WCVJEAGWSA-N 2 1 314.433 2.058 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219881 788024446 /nfs/dbraw/zinc/02/44/46/788024446.db2.gz OYPTVBPMZIWICW-WCVJEAGWSA-N 2 1 314.433 2.058 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365783 788042796 /nfs/dbraw/zinc/04/27/96/788042796.db2.gz PZGUEFSRNJQVPP-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365783 788042802 /nfs/dbraw/zinc/04/28/02/788042802.db2.gz PZGUEFSRNJQVPP-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365783 788042810 /nfs/dbraw/zinc/04/28/10/788042810.db2.gz PZGUEFSRNJQVPP-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517355 788105889 /nfs/dbraw/zinc/10/58/89/788105889.db2.gz BGOXFWVKCSUPED-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937250 788231340 /nfs/dbraw/zinc/23/13/40/788231340.db2.gz IZMFQMRKKBNELJ-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133318041 788368480 /nfs/dbraw/zinc/36/84/80/788368480.db2.gz DHZDZYMOADJIHJ-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134809008 789097707 /nfs/dbraw/zinc/09/77/07/789097707.db2.gz NPXIPSSSHWAJDO-UONOGXRCSA-N 2 1 322.453 2.189 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678560 789444468 /nfs/dbraw/zinc/44/44/68/789444468.db2.gz GAXWYJMVDKIRLT-HUUCEWRRSA-N 2 1 306.454 2.421 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752663 790237766 /nfs/dbraw/zinc/23/77/66/790237766.db2.gz WAHZFRCVELBJIE-HNNXBMFYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752663 790237772 /nfs/dbraw/zinc/23/77/72/790237772.db2.gz WAHZFRCVELBJIE-HNNXBMFYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707706 791345578 /nfs/dbraw/zinc/34/55/78/791345578.db2.gz YKBZLGQZDDXVIM-CVEARBPZSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707706 791345581 /nfs/dbraw/zinc/34/55/81/791345581.db2.gz YKBZLGQZDDXVIM-CVEARBPZSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216788 791712724 /nfs/dbraw/zinc/71/27/24/791712724.db2.gz RQKQCUICTMOKNC-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477139 791752300 /nfs/dbraw/zinc/75/23/00/791752300.db2.gz KCRWBLBSUDBNAR-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477140 791752493 /nfs/dbraw/zinc/75/24/93/791752493.db2.gz KCRWBLBSUDBNAR-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923498 791985537 /nfs/dbraw/zinc/98/55/37/791985537.db2.gz PJZOQENOUMOXTK-LPHOPBHVSA-N 2 1 324.428 2.495 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092720974 792118480 /nfs/dbraw/zinc/11/84/80/792118480.db2.gz BCVNXBQSANSSHC-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093098567 792233983 /nfs/dbraw/zinc/23/39/83/792233983.db2.gz ZMHNEUZRILMQND-SJLPKXTDSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551891 792240357 /nfs/dbraw/zinc/24/03/57/792240357.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551891 792240367 /nfs/dbraw/zinc/24/03/67/792240367.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551891 792240369 /nfs/dbraw/zinc/24/03/69/792240369.db2.gz FRTXRIHMASDQBV-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CCCN1CCC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1=O ZINC001171625081 793155707 /nfs/dbraw/zinc/15/57/07/793155707.db2.gz AWCRQRHGTBQXFT-MRXNPFEDSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477553 793174332 /nfs/dbraw/zinc/17/43/32/793174332.db2.gz ZRNJLABXSFBLBU-SCTDSRPQSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477553 793174340 /nfs/dbraw/zinc/17/43/40/793174340.db2.gz ZRNJLABXSFBLBU-SCTDSRPQSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477553 793174347 /nfs/dbraw/zinc/17/43/47/793174347.db2.gz ZRNJLABXSFBLBU-SCTDSRPQSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588581 793252642 /nfs/dbraw/zinc/25/26/42/793252642.db2.gz SRKDIRRJVIAGSA-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366893 793588149 /nfs/dbraw/zinc/58/81/49/793588149.db2.gz UDQVAJBKWPVQHL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366893 793588153 /nfs/dbraw/zinc/58/81/53/793588153.db2.gz UDQVAJBKWPVQHL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366893 793588160 /nfs/dbraw/zinc/58/81/60/793588160.db2.gz UDQVAJBKWPVQHL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444953 794095480 /nfs/dbraw/zinc/09/54/80/794095480.db2.gz REGXSFKSMIMATG-YUELXQCFSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001111899888 794520241 /nfs/dbraw/zinc/52/02/41/794520241.db2.gz XFRINJJYGGFZEK-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001111899888 794520253 /nfs/dbraw/zinc/52/02/53/794520253.db2.gz XFRINJJYGGFZEK-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001111899888 794520259 /nfs/dbraw/zinc/52/02/59/794520259.db2.gz XFRINJJYGGFZEK-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563635 794823131 /nfs/dbraw/zinc/82/31/31/794823131.db2.gz YTJYAVKERMOACN-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754175 794908323 /nfs/dbraw/zinc/90/83/23/794908323.db2.gz TZAFEGHEXNSXSA-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179713994 795162880 /nfs/dbraw/zinc/16/28/80/795162880.db2.gz AHRGFXWJMAMTMH-UHFFFAOYSA-N 2 1 318.465 2.296 20 30 DEEDMP C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118401713 795184714 /nfs/dbraw/zinc/18/47/14/795184714.db2.gz XQWWVDUMCYQSMG-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118401713 795184724 /nfs/dbraw/zinc/18/47/24/795184724.db2.gz XQWWVDUMCYQSMG-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120402882 795453484 /nfs/dbraw/zinc/45/34/84/795453484.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402882 795453488 /nfs/dbraw/zinc/45/34/88/795453488.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402882 795453490 /nfs/dbraw/zinc/45/34/90/795453490.db2.gz SUIZCZYWNGWHJA-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450041 795463201 /nfs/dbraw/zinc/46/32/01/795463201.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450041 795463207 /nfs/dbraw/zinc/46/32/07/795463207.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450041 795463211 /nfs/dbraw/zinc/46/32/11/795463211.db2.gz RSZDQAXPTZRWED-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120833806 795539392 /nfs/dbraw/zinc/53/93/92/795539392.db2.gz AVUFSOAVKIPSSH-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904876 795559868 /nfs/dbraw/zinc/55/98/68/795559868.db2.gz WTMHOIZPXDMOES-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001181977608 795570282 /nfs/dbraw/zinc/57/02/82/795570282.db2.gz XRYIZHOCYVOAJI-ZHALLVOQSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151260 796633592 /nfs/dbraw/zinc/63/35/92/796633592.db2.gz SZCCIOKNAVNZDU-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690385 796706293 /nfs/dbraw/zinc/70/62/93/796706293.db2.gz KZAYBGPQEYUQOI-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111193 796764519 /nfs/dbraw/zinc/76/45/19/796764519.db2.gz XCLARRJZCNTADD-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1C#N ZINC001206633529 796931884 /nfs/dbraw/zinc/93/18/84/796931884.db2.gz XNNRAAQMFWJIJZ-CYBMUJFWSA-N 2 1 304.413 2.324 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1C#N ZINC001206633529 796931888 /nfs/dbraw/zinc/93/18/88/796931888.db2.gz XNNRAAQMFWJIJZ-CYBMUJFWSA-N 2 1 304.413 2.324 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174184 796953739 /nfs/dbraw/zinc/95/37/39/796953739.db2.gz DADQESPZBWWXBW-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCCC1 ZINC001153867967 797414447 /nfs/dbraw/zinc/41/44/47/797414447.db2.gz IWJFWLGQYKFVHZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153867967 797414450 /nfs/dbraw/zinc/41/44/50/797414450.db2.gz IWJFWLGQYKFVHZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCC1 ZINC001153867967 797414453 /nfs/dbraw/zinc/41/44/53/797414453.db2.gz IWJFWLGQYKFVHZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCCC1 ZINC001153867967 797414456 /nfs/dbraw/zinc/41/44/56/797414456.db2.gz IWJFWLGQYKFVHZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603485 797419722 /nfs/dbraw/zinc/41/97/22/797419722.db2.gz BZWKPSKYJLZNPT-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603485 797419726 /nfs/dbraw/zinc/41/97/26/797419726.db2.gz BZWKPSKYJLZNPT-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905262 797468548 /nfs/dbraw/zinc/46/85/48/797468548.db2.gz CZZVBOAAGQTGJE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905262 797468553 /nfs/dbraw/zinc/46/85/53/797468553.db2.gz CZZVBOAAGQTGJE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905262 797468555 /nfs/dbraw/zinc/46/85/55/797468555.db2.gz CZZVBOAAGQTGJE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001154179159 797480199 /nfs/dbraw/zinc/48/01/99/797480199.db2.gz XITUFWMRKGQNRG-CQSZACIVSA-N 2 1 300.406 2.351 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866032 797977995 /nfs/dbraw/zinc/97/79/95/797977995.db2.gz SLIWKMGREXOBBC-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196153779 798014884 /nfs/dbraw/zinc/01/48/84/798014884.db2.gz AAIRYVMRQPHQEP-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196153779 798014891 /nfs/dbraw/zinc/01/48/91/798014891.db2.gz AAIRYVMRQPHQEP-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196153779 798014897 /nfs/dbraw/zinc/01/48/97/798014897.db2.gz AAIRYVMRQPHQEP-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCCC ZINC001160209705 798662067 /nfs/dbraw/zinc/66/20/67/798662067.db2.gz UEFVBANJUKHZJU-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCCC ZINC001160209705 798662069 /nfs/dbraw/zinc/66/20/69/798662069.db2.gz UEFVBANJUKHZJU-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986028 798775609 /nfs/dbraw/zinc/77/56/09/798775609.db2.gz KYCNZTKIHVLOGP-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986028 798775611 /nfs/dbraw/zinc/77/56/11/798775611.db2.gz KYCNZTKIHVLOGP-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986028 798775614 /nfs/dbraw/zinc/77/56/14/798775614.db2.gz KYCNZTKIHVLOGP-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008153 798778178 /nfs/dbraw/zinc/77/81/78/798778178.db2.gz IQSSEXKQBZRXOL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008153 798778182 /nfs/dbraw/zinc/77/81/82/798778182.db2.gz IQSSEXKQBZRXOL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008153 798778188 /nfs/dbraw/zinc/77/81/88/798778188.db2.gz IQSSEXKQBZRXOL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161212855 798811053 /nfs/dbraw/zinc/81/10/53/798811053.db2.gz CEGXXKFHWXYNLZ-SFHVURJKSA-N 2 1 319.493 2.269 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161722737 798922377 /nfs/dbraw/zinc/92/23/77/798922377.db2.gz DNAKTXWBIGBTRO-UHFFFAOYSA-N 2 1 314.433 2.086 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953400 798978369 /nfs/dbraw/zinc/97/83/69/798978369.db2.gz UNJYPYIRHGUMEC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953400 798978373 /nfs/dbraw/zinc/97/83/73/798978373.db2.gz UNJYPYIRHGUMEC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953400 798978376 /nfs/dbraw/zinc/97/83/76/798978376.db2.gz UNJYPYIRHGUMEC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C[NH+](C)C1(CNc2cc(F)cc(CC#N)c2)CC[NH+](C)CC1 ZINC001164216478 799541898 /nfs/dbraw/zinc/54/18/98/799541898.db2.gz DCCPSXFHUKYWPC-UHFFFAOYSA-N 2 1 304.413 2.330 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508888 799612810 /nfs/dbraw/zinc/61/28/10/799612810.db2.gz NXMFDVITSMCPFQ-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668235 799686821 /nfs/dbraw/zinc/68/68/21/799686821.db2.gz MXTVNDKVLFBZED-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668235 799686826 /nfs/dbraw/zinc/68/68/26/799686826.db2.gz MXTVNDKVLFBZED-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668235 799686831 /nfs/dbraw/zinc/68/68/31/799686831.db2.gz MXTVNDKVLFBZED-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492676 799737078 /nfs/dbraw/zinc/73/70/78/799737078.db2.gz ZKUCPYGBKNYOEL-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165735467 799766536 /nfs/dbraw/zinc/76/65/36/799766536.db2.gz AHHDGZDVMANXDR-IRXDYDNUSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203903049 800144487 /nfs/dbraw/zinc/14/44/87/800144487.db2.gz JNDUTKSGPOAUMK-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203919438 800146201 /nfs/dbraw/zinc/14/62/01/800146201.db2.gz QMKJAQITTAULMF-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCN(CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207202684 800708685 /nfs/dbraw/zinc/70/86/85/800708685.db2.gz YLQWSESVACPFLQ-CVEARBPZSA-N 2 1 323.481 2.293 20 30 DEEDMP C=CCN(CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207202684 800708688 /nfs/dbraw/zinc/70/86/88/800708688.db2.gz YLQWSESVACPFLQ-CVEARBPZSA-N 2 1 323.481 2.293 20 30 DEEDMP C=CCN(CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001207202684 800708691 /nfs/dbraw/zinc/70/86/91/800708691.db2.gz YLQWSESVACPFLQ-CVEARBPZSA-N 2 1 323.481 2.293 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001207279123 800721079 /nfs/dbraw/zinc/72/10/79/800721079.db2.gz BXZANHOSTOWCJK-GOSISDBHSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](C)CC1)CCO2 ZINC001207397366 800743616 /nfs/dbraw/zinc/74/36/16/800743616.db2.gz KDSQNSLESRCOLB-RTBURBONSA-N 2 1 322.493 2.402 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129422 800918927 /nfs/dbraw/zinc/91/89/27/800918927.db2.gz VKPYWAYXBSHPJD-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129422 800918932 /nfs/dbraw/zinc/91/89/32/800918932.db2.gz VKPYWAYXBSHPJD-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129422 800918934 /nfs/dbraw/zinc/91/89/34/800918934.db2.gz VKPYWAYXBSHPJD-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453574 800986154 /nfs/dbraw/zinc/98/61/54/800986154.db2.gz JYSZPMKYTZRXDW-ZDUSSCGKSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208613559 801033822 /nfs/dbraw/zinc/03/38/22/801033822.db2.gz NUDJSIXQJONLDZ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208613559 801033826 /nfs/dbraw/zinc/03/38/26/801033826.db2.gz NUDJSIXQJONLDZ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208613559 801033830 /nfs/dbraw/zinc/03/38/30/801033830.db2.gz NUDJSIXQJONLDZ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP N#Cc1cc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1 ZINC001210268764 801364292 /nfs/dbraw/zinc/36/42/92/801364292.db2.gz GECGVURYKSFWHJ-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211031581 801501005 /nfs/dbraw/zinc/50/10/05/801501005.db2.gz JRQDPIFDJDEPFY-BRWVUGGUSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211031581 801501011 /nfs/dbraw/zinc/50/10/11/801501011.db2.gz JRQDPIFDJDEPFY-BRWVUGGUSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211031581 801501018 /nfs/dbraw/zinc/50/10/18/801501018.db2.gz JRQDPIFDJDEPFY-BRWVUGGUSA-N 2 1 309.498 2.345 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094630 801511800 /nfs/dbraw/zinc/51/18/00/801511800.db2.gz JEIPRDKIEAYASU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661905 801745682 /nfs/dbraw/zinc/74/56/82/801745682.db2.gz JZFAZDKDCHMPPZ-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844873 802032894 /nfs/dbraw/zinc/03/28/94/802032894.db2.gz MOQDKJZMEQBITE-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627783 802598336 /nfs/dbraw/zinc/59/83/36/802598336.db2.gz SQPWHWJHSSSLTO-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627783 802598342 /nfs/dbraw/zinc/59/83/42/802598342.db2.gz SQPWHWJHSSSLTO-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627783 802598349 /nfs/dbraw/zinc/59/83/49/802598349.db2.gz SQPWHWJHSSSLTO-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811876 802618519 /nfs/dbraw/zinc/61/85/19/802618519.db2.gz NFGUNEGVRJRDQX-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221920715 802627186 /nfs/dbraw/zinc/62/71/86/802627186.db2.gz SEAMMBXWESCSQJ-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920715 802627190 /nfs/dbraw/zinc/62/71/90/802627190.db2.gz SEAMMBXWESCSQJ-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920715 802627194 /nfs/dbraw/zinc/62/71/94/802627194.db2.gz SEAMMBXWESCSQJ-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016657 802632986 /nfs/dbraw/zinc/63/29/86/802632986.db2.gz VBWCOUSXIYUWKV-DJIMGWMZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016657 802632988 /nfs/dbraw/zinc/63/29/88/802632988.db2.gz VBWCOUSXIYUWKV-DJIMGWMZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013588 802633196 /nfs/dbraw/zinc/63/31/96/802633196.db2.gz HAAHTLFYSQENPW-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013588 802633198 /nfs/dbraw/zinc/63/31/98/802633198.db2.gz HAAHTLFYSQENPW-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013588 802633200 /nfs/dbraw/zinc/63/32/00/802633200.db2.gz HAAHTLFYSQENPW-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224538568 802880738 /nfs/dbraw/zinc/88/07/38/802880738.db2.gz XZIYENOLQUWSNA-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224570526 802882598 /nfs/dbraw/zinc/88/25/98/802882598.db2.gz XLVDRBNWUFFABS-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746975 802900613 /nfs/dbraw/zinc/90/06/13/802900613.db2.gz ZJWRNFWAUUUEQN-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228593847 803378052 /nfs/dbraw/zinc/37/80/52/803378052.db2.gz FUENQCKIHUSKAR-GVDBMIGSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228595776 803379032 /nfs/dbraw/zinc/37/90/32/803379032.db2.gz ZJXVYSFTZOBFDB-GVDBMIGSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602256 803379940 /nfs/dbraw/zinc/37/99/40/803379940.db2.gz FXGCSUKXBWMEAG-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001328035143 1148704955 /nfs/dbraw/zinc/70/49/55/1148704955.db2.gz MHWMZFDTXRNVFQ-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001343429493 1150741526 /nfs/dbraw/zinc/74/15/26/1150741526.db2.gz AVMISQZOAFKBRS-DOTOQJQBSA-N 2 1 303.450 2.307 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001328588972 1148813708 /nfs/dbraw/zinc/81/37/08/1148813708.db2.gz RLQXWGSIOQHDRM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001328765704 1148832773 /nfs/dbraw/zinc/83/27/73/1148832773.db2.gz NPHJHCXQDPBDEM-GOEBONIOSA-N 2 1 304.438 2.230 20 30 DEEDMP C#CC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001499986784 1058416052 /nfs/dbraw/zinc/41/60/52/1058416052.db2.gz QSEHMSXXSRSHCR-OAHLLOKOSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406727 1060117900 /nfs/dbraw/zinc/11/79/00/1060117900.db2.gz QZWJRKAVAYKAOT-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406727 1060117909 /nfs/dbraw/zinc/11/79/09/1060117909.db2.gz QZWJRKAVAYKAOT-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406727 1060117915 /nfs/dbraw/zinc/11/79/15/1060117915.db2.gz QZWJRKAVAYKAOT-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001472971346 1060627450 /nfs/dbraw/zinc/62/74/50/1060627450.db2.gz ZLWGHDNKYUWJFD-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001472971346 1060627457 /nfs/dbraw/zinc/62/74/57/1060627457.db2.gz ZLWGHDNKYUWJFD-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001479561616 1061503409 /nfs/dbraw/zinc/50/34/09/1061503409.db2.gz FQJTYDMSFSEHKX-FGTMMUONSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001479690293 1061601832 /nfs/dbraw/zinc/60/18/32/1061601832.db2.gz ZWLKVGBOOUKCKI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001479747601 1061674328 /nfs/dbraw/zinc/67/43/28/1061674328.db2.gz ZTOXBXLUOUIIPI-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747601 1061674307 /nfs/dbraw/zinc/67/43/07/1061674307.db2.gz ZTOXBXLUOUIIPI-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001479747601 1061674317 /nfs/dbraw/zinc/67/43/17/1061674317.db2.gz ZTOXBXLUOUIIPI-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001479893560 1062001556 /nfs/dbraw/zinc/00/15/56/1062001556.db2.gz SFEVOENBOGKFFV-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001506559026 1062128209 /nfs/dbraw/zinc/12/82/09/1062128209.db2.gz NRSOXYJKDDWILZ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001506559026 1062128225 /nfs/dbraw/zinc/12/82/25/1062128225.db2.gz NRSOXYJKDDWILZ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001506559026 1062128242 /nfs/dbraw/zinc/12/82/42/1062128242.db2.gz NRSOXYJKDDWILZ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001480143677 1062383016 /nfs/dbraw/zinc/38/30/16/1062383016.db2.gz IJZTWRONWMDSMF-VQHPVUNQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190233 1062443157 /nfs/dbraw/zinc/44/31/57/1062443157.db2.gz YNDVNPFPVJPCEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190233 1062443165 /nfs/dbraw/zinc/44/31/65/1062443165.db2.gz YNDVNPFPVJPCEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190233 1062443173 /nfs/dbraw/zinc/44/31/73/1062443173.db2.gz YNDVNPFPVJPCEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001506928141 1062539695 /nfs/dbraw/zinc/53/96/95/1062539695.db2.gz LZAJKRZIJPEZOD-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001566124733 1072340150 /nfs/dbraw/zinc/34/01/50/1072340150.db2.gz GGIQSKDRGDPKHZ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001567371419 1064167516 /nfs/dbraw/zinc/16/75/16/1064167516.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001567371419 1064167519 /nfs/dbraw/zinc/16/75/19/1064167519.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001567371419 1064167523 /nfs/dbraw/zinc/16/75/23/1064167523.db2.gz JCQJXCZKWFDSGZ-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001567419948 1064191692 /nfs/dbraw/zinc/19/16/92/1064191692.db2.gz YKLJBYMHKVRMOP-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494299867 1064204869 /nfs/dbraw/zinc/20/48/69/1064204869.db2.gz WOCHWKGUDDECOU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494299867 1064204874 /nfs/dbraw/zinc/20/48/74/1064204874.db2.gz WOCHWKGUDDECOU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494299867 1064204879 /nfs/dbraw/zinc/20/48/79/1064204879.db2.gz WOCHWKGUDDECOU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567712584 1064370469 /nfs/dbraw/zinc/37/04/69/1064370469.db2.gz WULLXWOPJANJHX-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567727399 1064379975 /nfs/dbraw/zinc/37/99/75/1064379975.db2.gz IBJHJAKIHADKKJ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567727399 1064379986 /nfs/dbraw/zinc/37/99/86/1064379986.db2.gz IBJHJAKIHADKKJ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567727399 1064379997 /nfs/dbraw/zinc/37/99/97/1064379997.db2.gz IBJHJAKIHADKKJ-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567741402 1064395830 /nfs/dbraw/zinc/39/58/30/1064395830.db2.gz JTSGIDSQHVMADB-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686590 1064414910 /nfs/dbraw/zinc/41/49/10/1064414910.db2.gz WGXVTOPYVSIILN-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567830546 1064446590 /nfs/dbraw/zinc/44/65/90/1064446590.db2.gz SFYRTIJIJQHNMB-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001568441255 1064874738 /nfs/dbraw/zinc/87/47/38/1064874738.db2.gz VELUNSVACSQJLH-UHFFFAOYSA-N 2 1 318.465 2.397 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001568441031 1064875052 /nfs/dbraw/zinc/87/50/52/1064875052.db2.gz NKUXRNQSBQVNQI-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001568441031 1064875059 /nfs/dbraw/zinc/87/50/59/1064875059.db2.gz NKUXRNQSBQVNQI-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001568441031 1064875068 /nfs/dbraw/zinc/87/50/68/1064875068.db2.gz NKUXRNQSBQVNQI-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001568452536 1064881372 /nfs/dbraw/zinc/88/13/72/1064881372.db2.gz GMORAAQRBMLDHN-ROUUACIJSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001568452536 1064881380 /nfs/dbraw/zinc/88/13/80/1064881380.db2.gz GMORAAQRBMLDHN-ROUUACIJSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001568537622 1064948989 /nfs/dbraw/zinc/94/89/89/1064948989.db2.gz SOQZBFGHHJGDFD-CABCVRRESA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001495596475 1064998257 /nfs/dbraw/zinc/99/82/57/1064998257.db2.gz OZEYEDGYSWVQBO-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001495596475 1064998266 /nfs/dbraw/zinc/99/82/66/1064998266.db2.gz OZEYEDGYSWVQBO-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001569175396 1065341044 /nfs/dbraw/zinc/34/10/44/1065341044.db2.gz QNJCPYRNLZPFBK-SJORKVTESA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496316108 1065404114 /nfs/dbraw/zinc/40/41/14/1065404114.db2.gz YBWSQAIVNHCFLX-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001569723320 1065691604 /nfs/dbraw/zinc/69/16/04/1065691604.db2.gz UOYPDNKCDUBVHY-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802694 1065726045 /nfs/dbraw/zinc/72/60/45/1065726045.db2.gz YWSCEQMESOGBIP-WMZOPIPTSA-N 2 1 315.461 2.134 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)CCC)C2 ZINC001569861240 1065773678 /nfs/dbraw/zinc/77/36/78/1065773678.db2.gz UDWPYEBCHJCKJY-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001569861240 1065773692 /nfs/dbraw/zinc/77/36/92/1065773692.db2.gz UDWPYEBCHJCKJY-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001569861240 1065773705 /nfs/dbraw/zinc/77/37/05/1065773705.db2.gz UDWPYEBCHJCKJY-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570275045 1066000910 /nfs/dbraw/zinc/00/09/10/1066000910.db2.gz OJVNTVGJRKYHIZ-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001570379661 1066041342 /nfs/dbraw/zinc/04/13/42/1066041342.db2.gz WACGCCRDOJTIRP-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001570485309 1066092308 /nfs/dbraw/zinc/09/23/08/1066092308.db2.gz HGRDOVPVERPCNY-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C[C@H]1C[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599998 1066643894 /nfs/dbraw/zinc/64/38/94/1066643894.db2.gz WZOBMGAUPLKIJK-IRXDYDNUSA-N 2 1 312.461 2.458 20 30 DEEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001499482348 1067235539 /nfs/dbraw/zinc/23/55/39/1067235539.db2.gz VAFUTQTUTCUDFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001499482348 1067235543 /nfs/dbraw/zinc/23/55/43/1067235543.db2.gz VAFUTQTUTCUDFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001499482348 1067235549 /nfs/dbraw/zinc/23/55/49/1067235549.db2.gz VAFUTQTUTCUDFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570573191 1068014161 /nfs/dbraw/zinc/01/41/61/1068014161.db2.gz LUNUWHFJWPQOML-UHFFFAOYSA-N 2 1 309.498 2.415 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001570796623 1068119840 /nfs/dbraw/zinc/11/98/40/1068119840.db2.gz XNBVXNJTAIWIQE-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001571068795 1068178720 /nfs/dbraw/zinc/17/87/20/1068178720.db2.gz XPHRLUIFOBWBMK-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001571068795 1068178728 /nfs/dbraw/zinc/17/87/28/1068178728.db2.gz XPHRLUIFOBWBMK-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001571068795 1068178731 /nfs/dbraw/zinc/17/87/31/1068178731.db2.gz XPHRLUIFOBWBMK-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571560481 1068420159 /nfs/dbraw/zinc/42/01/59/1068420159.db2.gz ZQCUOAHCKUOIOO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267267889 1078714137 /nfs/dbraw/zinc/71/41/37/1078714137.db2.gz TULGPYXNTGDKDZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267267889 1078714142 /nfs/dbraw/zinc/71/41/42/1078714142.db2.gz TULGPYXNTGDKDZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267267889 1078714146 /nfs/dbraw/zinc/71/41/46/1078714146.db2.gz TULGPYXNTGDKDZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267293143 1078739569 /nfs/dbraw/zinc/73/95/69/1078739569.db2.gz MNMHDLRKPWFTAK-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267293143 1078739572 /nfs/dbraw/zinc/73/95/72/1078739572.db2.gz MNMHDLRKPWFTAK-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267293143 1078739576 /nfs/dbraw/zinc/73/95/76/1078739576.db2.gz MNMHDLRKPWFTAK-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001483742081 1078977030 /nfs/dbraw/zinc/97/70/30/1078977030.db2.gz GEXDPLRMJIFVDC-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001483742081 1078977039 /nfs/dbraw/zinc/97/70/39/1078977039.db2.gz GEXDPLRMJIFVDC-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001483747334 1078986059 /nfs/dbraw/zinc/98/60/59/1078986059.db2.gz STHDMIYUXRZJJG-UHFFFAOYSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCN1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672581 1079107433 /nfs/dbraw/zinc/10/74/33/1079107433.db2.gz IEISZKYJSOIJJP-GOSISDBHSA-N 2 1 310.401 2.173 20 30 DEEDMP C=CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672581 1079107440 /nfs/dbraw/zinc/10/74/40/1079107440.db2.gz IEISZKYJSOIJJP-GOSISDBHSA-N 2 1 310.401 2.173 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001483795427 1079125795 /nfs/dbraw/zinc/12/57/95/1079125795.db2.gz UGLGDSHKEOUOHM-INIZCTEOSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001649462385 1079130504 /nfs/dbraw/zinc/13/05/04/1079130504.db2.gz VUOSNJVTNTYOEH-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483995917 1079234123 /nfs/dbraw/zinc/23/41/23/1079234123.db2.gz IEVVMAKVIFMIHZ-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001484000889 1079236614 /nfs/dbraw/zinc/23/66/14/1079236614.db2.gz KJZRYOGZPRQDJL-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565834962 1075193558 /nfs/dbraw/zinc/19/35/58/1075193558.db2.gz FGUUDXICLGILGP-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565834962 1075193564 /nfs/dbraw/zinc/19/35/64/1075193564.db2.gz FGUUDXICLGILGP-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001566088786 1075227746 /nfs/dbraw/zinc/22/77/46/1075227746.db2.gz QKCXJLAIBJIZDU-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001566088786 1075227751 /nfs/dbraw/zinc/22/77/51/1075227751.db2.gz QKCXJLAIBJIZDU-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001566735745 1075329658 /nfs/dbraw/zinc/32/96/58/1075329658.db2.gz KGZDIJDVBHXAEH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566735745 1075329662 /nfs/dbraw/zinc/32/96/62/1075329662.db2.gz KGZDIJDVBHXAEH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001566735745 1075329664 /nfs/dbraw/zinc/32/96/64/1075329664.db2.gz KGZDIJDVBHXAEH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962882 1075402101 /nfs/dbraw/zinc/40/21/01/1075402101.db2.gz MWKHDHSDMCFDHE-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967317 1075402952 /nfs/dbraw/zinc/40/29/52/1075402952.db2.gz LGLOSQLICUEPRD-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967317 1075402954 /nfs/dbraw/zinc/40/29/54/1075402954.db2.gz LGLOSQLICUEPRD-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054175 1075424008 /nfs/dbraw/zinc/42/40/08/1075424008.db2.gz LSCWLGBVDUQVJO-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567193143 1075459660 /nfs/dbraw/zinc/45/96/60/1075459660.db2.gz OBEDLPXQCVVQSI-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001267874437 1079562630 /nfs/dbraw/zinc/56/26/30/1079562630.db2.gz UIMGBFIXNXWWMV-FUHWJXTLSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267932945 1079615085 /nfs/dbraw/zinc/61/50/85/1079615085.db2.gz XHCVSUWHFOGKQQ-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001267938652 1079619742 /nfs/dbraw/zinc/61/97/42/1079619742.db2.gz FBVWRJYJYBEFBX-INIZCTEOSA-N 2 1 315.461 2.310 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481405575 1079793204 /nfs/dbraw/zinc/79/32/04/1079793204.db2.gz JHIFNDNJTAJZAA-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481405575 1079793208 /nfs/dbraw/zinc/79/32/08/1079793208.db2.gz JHIFNDNJTAJZAA-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481405575 1079793211 /nfs/dbraw/zinc/79/32/11/1079793211.db2.gz JHIFNDNJTAJZAA-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451735 1079876200 /nfs/dbraw/zinc/87/62/00/1079876200.db2.gz RRFZLORFVYAAGN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451738 1079876353 /nfs/dbraw/zinc/87/63/53/1079876353.db2.gz RRFZLORFVYAAGN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001481514954 1079983206 /nfs/dbraw/zinc/98/32/06/1079983206.db2.gz VKOFJIDBGVLOHU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001481514954 1079983211 /nfs/dbraw/zinc/98/32/11/1079983211.db2.gz VKOFJIDBGVLOHU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001481514954 1079983218 /nfs/dbraw/zinc/98/32/18/1079983218.db2.gz VKOFJIDBGVLOHU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001481539696 1080028982 /nfs/dbraw/zinc/02/89/82/1080028982.db2.gz LQPLYFORLVNOFM-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485162474 1080032579 /nfs/dbraw/zinc/03/25/79/1080032579.db2.gz IAJWWZPXTWVJKI-CABCVRRESA-N 2 1 307.482 2.146 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268097857 1080070792 /nfs/dbraw/zinc/07/07/92/1080070792.db2.gz LRADQJOUBFNIAB-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268097857 1080070798 /nfs/dbraw/zinc/07/07/98/1080070798.db2.gz LRADQJOUBFNIAB-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001656957108 1080142667 /nfs/dbraw/zinc/14/26/67/1080142667.db2.gz GMTHKFHZISPXDB-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345554 1080157724 /nfs/dbraw/zinc/15/77/24/1080157724.db2.gz SVZYVLFHBOESKC-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345554 1080157727 /nfs/dbraw/zinc/15/77/27/1080157727.db2.gz SVZYVLFHBOESKC-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485463550 1080231089 /nfs/dbraw/zinc/23/10/89/1080231089.db2.gz NUYUBYSTKWXWKY-QLFBSQMISA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(C)[C@@H](CO)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260676 /nfs/dbraw/zinc/26/06/76/1080260676.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260680 /nfs/dbraw/zinc/26/06/80/1080260680.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260682 /nfs/dbraw/zinc/26/06/82/1080260682.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260686 /nfs/dbraw/zinc/26/06/86/1080260686.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260690 /nfs/dbraw/zinc/26/06/90/1080260690.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260694 /nfs/dbraw/zinc/26/06/94/1080260694.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001660067745 1080260695 /nfs/dbraw/zinc/26/06/95/1080260695.db2.gz ZLBFMPAVYVLJKA-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661213408 1080457234 /nfs/dbraw/zinc/45/72/34/1080457234.db2.gz QZWFTENJBWRERX-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213408 1080457237 /nfs/dbraw/zinc/45/72/37/1080457237.db2.gz QZWFTENJBWRERX-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001661213408 1080457242 /nfs/dbraw/zinc/45/72/42/1080457242.db2.gz QZWFTENJBWRERX-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661231038 1080460511 /nfs/dbraw/zinc/46/05/11/1080460511.db2.gz CKRGUFLOLWQUST-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001661231038 1080460514 /nfs/dbraw/zinc/46/05/14/1080460514.db2.gz CKRGUFLOLWQUST-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001661231038 1080460519 /nfs/dbraw/zinc/46/05/19/1080460519.db2.gz CKRGUFLOLWQUST-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485815570 1080496615 /nfs/dbraw/zinc/49/66/15/1080496615.db2.gz LYZYXTBNSPCLGG-IAGOWNOFSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040516 1080554164 /nfs/dbraw/zinc/55/41/64/1080554164.db2.gz IAJQPALDSCWUQQ-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039303 1080556320 /nfs/dbraw/zinc/55/63/20/1080556320.db2.gz QJVSICDGESALKW-KBAYOESNSA-N 2 1 315.461 2.159 20 30 DEEDMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001481964831 1080656636 /nfs/dbraw/zinc/65/66/36/1080656636.db2.gz TWVYRLRFJVIKOR-SJLPKXTDSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662844895 1080666278 /nfs/dbraw/zinc/66/62/78/1080666278.db2.gz JWMNQDBGFQAIQL-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001673457844 1080992474 /nfs/dbraw/zinc/99/24/74/1080992474.db2.gz KZLKEHKAFXTDSY-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001666421375 1081151488 /nfs/dbraw/zinc/15/14/88/1081151488.db2.gz ZMANRNRDTYLPNS-JKSUJKDBSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001666767436 1081180194 /nfs/dbraw/zinc/18/01/94/1081180194.db2.gz GDUOFYRBEUISAT-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001666767475 1081180287 /nfs/dbraw/zinc/18/02/87/1081180287.db2.gz HFNRMSLKBJEVFJ-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269251145 1081184461 /nfs/dbraw/zinc/18/44/61/1081184461.db2.gz LXBYBEXBFYEALG-CVEARBPZSA-N 2 1 304.438 2.189 20 30 DEEDMP C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269251145 1081184465 /nfs/dbraw/zinc/18/44/65/1081184465.db2.gz LXBYBEXBFYEALG-CVEARBPZSA-N 2 1 304.438 2.189 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667488717 1081257403 /nfs/dbraw/zinc/25/74/03/1081257403.db2.gz MWKQIZIMJOKCQF-WBVHZDCISA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001269631215 1081315324 /nfs/dbraw/zinc/31/53/24/1081315324.db2.gz WHVOFNNLFXHRMW-RLFYNMQTSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001668118542 1081318456 /nfs/dbraw/zinc/31/84/56/1081318456.db2.gz WIRPOOFTTIRWTI-OAHLLOKOSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269699710 1081337376 /nfs/dbraw/zinc/33/73/76/1081337376.db2.gz IENPBRYBSYKXSZ-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001284600052 1081340354 /nfs/dbraw/zinc/34/03/54/1081340354.db2.gz YJFYSJRBERPMSK-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269985047 1081417830 /nfs/dbraw/zinc/41/78/30/1081417830.db2.gz AFKHLXOVXOLUSI-ULQDDVLXSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001672567461 1081612763 /nfs/dbraw/zinc/61/27/63/1081612763.db2.gz DUDCEVQAXVGWBM-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001672915477 1081720527 /nfs/dbraw/zinc/72/05/27/1081720527.db2.gz HVFZSKOOWKAMHO-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001673201295 1081746014 /nfs/dbraw/zinc/74/60/14/1081746014.db2.gz AWSUSLIPJDDFMI-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001270911965 1081834455 /nfs/dbraw/zinc/83/44/55/1081834455.db2.gz UREGEDMZABQNHH-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463457 1081875573 /nfs/dbraw/zinc/87/55/73/1081875573.db2.gz MPQJUXXMIAMHPH-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001271021105 1081879337 /nfs/dbraw/zinc/87/93/37/1081879337.db2.gz IOOVLGFRPTUEQU-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674504606 1081882934 /nfs/dbraw/zinc/88/29/34/1081882934.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504606 1081882939 /nfs/dbraw/zinc/88/29/39/1081882939.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504606 1081882949 /nfs/dbraw/zinc/88/29/49/1081882949.db2.gz FYZAZWMKCFIYRZ-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271665157 1082104397 /nfs/dbraw/zinc/10/43/97/1082104397.db2.gz IQFFRMJBOUSVNS-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266565386 1082163147 /nfs/dbraw/zinc/16/31/47/1082163147.db2.gz WAHYFNLORVEYJV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266565386 1082163151 /nfs/dbraw/zinc/16/31/51/1082163151.db2.gz WAHYFNLORVEYJV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266565386 1082163154 /nfs/dbraw/zinc/16/31/54/1082163154.db2.gz WAHYFNLORVEYJV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001266663233 1082257930 /nfs/dbraw/zinc/25/79/30/1082257930.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663233 1082257938 /nfs/dbraw/zinc/25/79/38/1082257938.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663233 1082257944 /nfs/dbraw/zinc/25/79/44/1082257944.db2.gz MACCQBQKZYIJJC-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266841891 1082384252 /nfs/dbraw/zinc/38/42/52/1082384252.db2.gz DQZKDGVKLOTILV-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107454693 1083407959 /nfs/dbraw/zinc/40/79/59/1083407959.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454693 1083407960 /nfs/dbraw/zinc/40/79/60/1083407960.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454693 1083407965 /nfs/dbraw/zinc/40/79/65/1083407965.db2.gz JZGLLKXYBOSVDX-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521116 1083458289 /nfs/dbraw/zinc/45/82/89/1083458289.db2.gz MYKFFOKXHADTMH-SJLPKXTDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632906 1083542768 /nfs/dbraw/zinc/54/27/68/1083542768.db2.gz DHSQBOOUJUYSIE-SJLPKXTDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001486206033 1085111052 /nfs/dbraw/zinc/11/10/52/1085111052.db2.gz NKBKBJOVJLUVKS-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001486206032 1085111174 /nfs/dbraw/zinc/11/11/74/1085111174.db2.gz NKBKBJOVJLUVKS-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419918 1086449801 /nfs/dbraw/zinc/44/98/01/1086449801.db2.gz WMOXVSTXXQCUTH-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419918 1086449803 /nfs/dbraw/zinc/44/98/03/1086449803.db2.gz WMOXVSTXXQCUTH-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000963564134 1086499742 /nfs/dbraw/zinc/49/97/42/1086499742.db2.gz OXGZKIQMVJHBGW-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000963902538 1086591933 /nfs/dbraw/zinc/59/19/33/1086591933.db2.gz LHZNYWAQSWFQSH-GTPINHCMSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273144607 1086778331 /nfs/dbraw/zinc/77/83/31/1086778331.db2.gz RWPHOOPULYHFNX-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520987 1088308035 /nfs/dbraw/zinc/30/80/35/1088308035.db2.gz FWLVJLMFEVRBFI-ZSGPHXLJSA-N 2 1 324.428 2.349 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114566354 1088438270 /nfs/dbraw/zinc/43/82/70/1088438270.db2.gz SNGIYIDQTWGBGR-VQFNDLOPSA-N 2 1 318.465 2.208 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114566354 1088438278 /nfs/dbraw/zinc/43/82/78/1088438278.db2.gz SNGIYIDQTWGBGR-VQFNDLOPSA-N 2 1 318.465 2.208 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521597 1089998475 /nfs/dbraw/zinc/99/84/75/1089998475.db2.gz OUKQGFFGCIGFFV-QLFBSQMISA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938955 1090530364 /nfs/dbraw/zinc/53/03/64/1090530364.db2.gz MKZQRZIVVZLASU-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001411209829 1091420639 /nfs/dbraw/zinc/42/06/39/1091420639.db2.gz QLEWMNVXURKMKL-KGLIPLIRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCCCCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276042036 1091472146 /nfs/dbraw/zinc/47/21/46/1091472146.db2.gz UWANFXHKOICPRS-ROUUACIJSA-N 2 1 309.498 2.070 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001275144026 1091581814 /nfs/dbraw/zinc/58/18/14/1091581814.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001275144026 1091581819 /nfs/dbraw/zinc/58/18/19/1091581819.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001275144026 1091581828 /nfs/dbraw/zinc/58/18/28/1091581828.db2.gz TVHATTLXFOWVFE-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161501 1091593203 /nfs/dbraw/zinc/59/32/03/1091593203.db2.gz ZTDVNQMGBKQGNN-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948771819 1091926795 /nfs/dbraw/zinc/92/67/95/1091926795.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948771819 1091926801 /nfs/dbraw/zinc/92/68/01/1091926801.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948771819 1091926810 /nfs/dbraw/zinc/92/68/10/1091926810.db2.gz QPOIHYKDTWFEPD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832862 1091960668 /nfs/dbraw/zinc/96/06/68/1091960668.db2.gz CHQDODKWNAAGFS-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886426 1091981761 /nfs/dbraw/zinc/98/17/61/1091981761.db2.gz NXVVTVBDJRRYTH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccccc1C#N)C2 ZINC001275969065 1092400061 /nfs/dbraw/zinc/40/00/61/1092400061.db2.gz YODLQFCUHCRMKZ-UHFFFAOYSA-N 2 1 312.461 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001488666575 1092672723 /nfs/dbraw/zinc/67/27/23/1092672723.db2.gz BYRDKMUNINSQCD-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001488666575 1092672725 /nfs/dbraw/zinc/67/27/25/1092672725.db2.gz BYRDKMUNINSQCD-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972074 /nfs/dbraw/zinc/97/20/74/1092972074.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972082 /nfs/dbraw/zinc/97/20/82/1092972082.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@@H]2C1 ZINC001489202798 1092972089 /nfs/dbraw/zinc/97/20/89/1092972089.db2.gz NSHDJIVQCXJRQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197247 1093243967 /nfs/dbraw/zinc/24/39/67/1093243967.db2.gz WUHXUKRKNZHCQK-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455365 1093392355 /nfs/dbraw/zinc/39/23/55/1093392355.db2.gz YJVKQIDNHCYUDH-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001490700547 1093493721 /nfs/dbraw/zinc/49/37/21/1093493721.db2.gz UIYFTHUQURATAR-MSOLQXFVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001319411663 1093806875 /nfs/dbraw/zinc/80/68/75/1093806875.db2.gz KFOZGHZXMYCHAH-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001274124937 1093809531 /nfs/dbraw/zinc/80/95/31/1093809531.db2.gz LIZRWVXJCRUKOM-FEFZKZJHSA-N 2 1 305.466 2.232 20 30 DEEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001316661891 1139850041 /nfs/dbraw/zinc/85/00/41/1139850041.db2.gz BZVLSDGOSYZVGH-RCCFBDPRSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001318684948 1140384975 /nfs/dbraw/zinc/38/49/75/1140384975.db2.gz CCLJPSCKAPHGRX-AEFFLSMTSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001319370542 1140557100 /nfs/dbraw/zinc/55/71/00/1140557100.db2.gz XOXHBPJBYZKQFP-HZPDHXFCSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001319659891 1140648405 /nfs/dbraw/zinc/64/84/05/1140648405.db2.gz OPABEXYZHWIJSF-DOTOQJQBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001319823674 1140746636 /nfs/dbraw/zinc/74/66/36/1140746636.db2.gz CUFUSAMOEOPHDF-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCO[C@@H]1CC[N@H+](CC[C@@H](C)[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320899692 1140980587 /nfs/dbraw/zinc/98/05/87/1140980587.db2.gz VDQFGWBAGHPHFF-KURKYZTESA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320899692 1140980600 /nfs/dbraw/zinc/98/06/00/1140980600.db2.gz VDQFGWBAGHPHFF-KURKYZTESA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320899692 1140980622 /nfs/dbraw/zinc/98/06/22/1140980622.db2.gz VDQFGWBAGHPHFF-KURKYZTESA-N 2 1 308.466 2.319 20 30 DEEDMP N#CCC[N@@H+]([C@@H]1CCNC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770715 1141055660 /nfs/dbraw/zinc/05/56/60/1141055660.db2.gz ROLNETHVGHYFDQ-QGZVFWFLSA-N 2 1 304.482 2.409 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001278465708 1141059835 /nfs/dbraw/zinc/05/98/35/1141059835.db2.gz BQVHDXAJBDOLRW-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001278465708 1141059844 /nfs/dbraw/zinc/05/98/44/1141059844.db2.gz BQVHDXAJBDOLRW-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001278465708 1141059852 /nfs/dbraw/zinc/05/98/52/1141059852.db2.gz BQVHDXAJBDOLRW-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP N#C[C@@H]1C[C@H]([N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246941505 1141148273 /nfs/dbraw/zinc/14/82/73/1141148273.db2.gz KNIJKACPOVLUNA-FUHWJXTLSA-N 2 1 316.424 2.024 20 30 DEEDMP N#C[C@@H]1C[C@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246941505 1141148286 /nfs/dbraw/zinc/14/82/86/1141148286.db2.gz KNIJKACPOVLUNA-FUHWJXTLSA-N 2 1 316.424 2.024 20 30 DEEDMP C=CCOc1ccc(-c2noc([C@@H]([NH3+])CCC[NH3+])n2)c(F)c1 ZINC001247508470 1141371007 /nfs/dbraw/zinc/37/10/07/1141371007.db2.gz RRCJIHPZPCRYNQ-ZDUSSCGKSA-N 2 1 306.341 2.179 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001323287746 1141837263 /nfs/dbraw/zinc/83/72/63/1141837263.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001323287746 1141837264 /nfs/dbraw/zinc/83/72/64/1141837264.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001323287746 1141837265 /nfs/dbraw/zinc/83/72/65/1141837265.db2.gz UHIDDWFEUBTWHA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323721063 1141880306 /nfs/dbraw/zinc/88/03/06/1141880306.db2.gz DDGQFRMGVPLVCN-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323721063 1141880308 /nfs/dbraw/zinc/88/03/08/1141880308.db2.gz DDGQFRMGVPLVCN-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323721063 1141880310 /nfs/dbraw/zinc/88/03/10/1141880310.db2.gz DDGQFRMGVPLVCN-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001324273033 1142045629 /nfs/dbraw/zinc/04/56/29/1142045629.db2.gz GNNUAXHKRDYZJP-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001253240701 1142856738 /nfs/dbraw/zinc/85/67/38/1142856738.db2.gz PJGFJWRVDFMODU-GOSISDBHSA-N 2 1 311.514 2.053 20 30 DEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662230 1143304594 /nfs/dbraw/zinc/30/45/94/1143304594.db2.gz DFMLVEPFSYSWKM-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662230 1143304600 /nfs/dbraw/zinc/30/46/00/1143304600.db2.gz DFMLVEPFSYSWKM-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662230 1143304609 /nfs/dbraw/zinc/30/46/09/1143304609.db2.gz DFMLVEPFSYSWKM-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001278911774 1143830141 /nfs/dbraw/zinc/83/01/41/1143830141.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001278911774 1143830142 /nfs/dbraw/zinc/83/01/42/1143830142.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001278911774 1143830143 /nfs/dbraw/zinc/83/01/43/1143830143.db2.gz DYGPGFRQQOZFJD-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C1C[C@@H]2CC([N@@H+]3CCC(=O)N(CC[NH+](C)C)CC3)C[C@H](C1)C2 ZINC001257894929 1143958396 /nfs/dbraw/zinc/95/83/96/1143958396.db2.gz CYTHOUCTDVRUGJ-JWTNVVGKSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001264071455 1144454481 /nfs/dbraw/zinc/45/44/81/1144454481.db2.gz GSLIXZXCWGPFHY-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264120034 1144474712 /nfs/dbraw/zinc/47/47/12/1144474712.db2.gz BETIVIOESXTBRV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264751832 1144607100 /nfs/dbraw/zinc/60/71/00/1144607100.db2.gz POJVWLCHQKMHHO-IRXDYDNUSA-N 2 1 321.509 2.203 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265374500 1144699355 /nfs/dbraw/zinc/69/93/55/1144699355.db2.gz NTCLXELOLPTGJU-IRXDYDNUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265540320 1144710285 /nfs/dbraw/zinc/71/02/85/1144710285.db2.gz NACJWDPFAYITBD-UHDSXZAQSA-N 2 1 307.482 2.308 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCC=C ZINC001266220062 1144815771 /nfs/dbraw/zinc/81/57/71/1144815771.db2.gz MQOTUXZKSRAYCH-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC=C ZINC001266220062 1144815772 /nfs/dbraw/zinc/81/57/72/1144815772.db2.gz MQOTUXZKSRAYCH-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC=C ZINC001266220062 1144815773 /nfs/dbraw/zinc/81/57/73/1144815773.db2.gz MQOTUXZKSRAYCH-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC=C ZINC001266220062 1144815774 /nfs/dbraw/zinc/81/57/74/1144815774.db2.gz MQOTUXZKSRAYCH-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001279302260 1144820414 /nfs/dbraw/zinc/82/04/14/1144820414.db2.gz WBYOQFYTUCHTLL-UHFFFAOYSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567853 1144824718 /nfs/dbraw/zinc/82/47/18/1144824718.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567853 1144824719 /nfs/dbraw/zinc/82/47/19/1144824719.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567853 1144824720 /nfs/dbraw/zinc/82/47/20/1144824720.db2.gz ZVAOTSGXRMBQTC-IRXDYDNUSA-N 2 1 316.449 2.374 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001280761699 1144853787 /nfs/dbraw/zinc/85/37/87/1144853787.db2.gz ZNQUQILJJVCSDU-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777222 1144854779 /nfs/dbraw/zinc/85/47/79/1144854779.db2.gz OTKOBNFAIDNORD-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777222 1144854780 /nfs/dbraw/zinc/85/47/80/1144854780.db2.gz OTKOBNFAIDNORD-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282716231 1145142930 /nfs/dbraw/zinc/14/29/30/1145142930.db2.gz HZRGHWSYYDIYIA-GJZGRUSLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001316758927 1147595229 /nfs/dbraw/zinc/59/52/29/1147595229.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316758927 1147595232 /nfs/dbraw/zinc/59/52/32/1147595232.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001316758927 1147595238 /nfs/dbraw/zinc/59/52/38/1147595238.db2.gz QOPCDJSGGSVKBG-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316776338 1147597610 /nfs/dbraw/zinc/59/76/10/1147597610.db2.gz ZXJQDMXZHSOSCE-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316877348 1147619231 /nfs/dbraw/zinc/61/92/31/1147619231.db2.gz JXTRXKBDBPNTID-IAGOWNOFSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927386 1147633390 /nfs/dbraw/zinc/63/33/90/1147633390.db2.gz OJCFCANGLYDTIE-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990313 1147645071 /nfs/dbraw/zinc/64/50/71/1147645071.db2.gz LTWPWOGXCOXSMD-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990313 1147645073 /nfs/dbraw/zinc/64/50/73/1147645073.db2.gz LTWPWOGXCOXSMD-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994387 1147645771 /nfs/dbraw/zinc/64/57/71/1147645771.db2.gz HXZBBHKOQPIFEO-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317126998 1147663126 /nfs/dbraw/zinc/66/31/26/1147663126.db2.gz DARBLVXKYJKDLW-IXDOHACOSA-N 2 1 301.434 2.102 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317321000 1147690317 /nfs/dbraw/zinc/69/03/17/1147690317.db2.gz DMBGQBDSMZBGSI-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317345438 1147693815 /nfs/dbraw/zinc/69/38/15/1147693815.db2.gz ALEUQFXGLXNPOG-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001317433967 1147707701 /nfs/dbraw/zinc/70/77/01/1147707701.db2.gz IBPVNFYCUVPJKX-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001317433967 1147707702 /nfs/dbraw/zinc/70/77/02/1147707702.db2.gz IBPVNFYCUVPJKX-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459493 1147711816 /nfs/dbraw/zinc/71/18/16/1147711816.db2.gz XTUGHNKZIGOFHM-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459493 1147711819 /nfs/dbraw/zinc/71/18/19/1147711819.db2.gz XTUGHNKZIGOFHM-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH+](CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724479 /nfs/dbraw/zinc/72/44/79/1147724479.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724482 /nfs/dbraw/zinc/72/44/82/1147724482.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001317554417 1147724484 /nfs/dbraw/zinc/72/44/84/1147724484.db2.gz VPOKGARAZIBRCO-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318146282 1147782347 /nfs/dbraw/zinc/78/23/47/1147782347.db2.gz QFANVUJCAFHJQN-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001325689769 1147984003 /nfs/dbraw/zinc/98/40/03/1147984003.db2.gz ONIOLCRBSNINID-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001325740153 1147993521 /nfs/dbraw/zinc/99/35/21/1147993521.db2.gz BFEIPOYMTPVZPQ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001325740153 1147993527 /nfs/dbraw/zinc/99/35/27/1147993527.db2.gz BFEIPOYMTPVZPQ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001325740153 1147993536 /nfs/dbraw/zinc/99/35/36/1147993536.db2.gz BFEIPOYMTPVZPQ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001326541729 1148135923 /nfs/dbraw/zinc/13/59/23/1148135923.db2.gz LQTLMUIAJNZMIQ-SHTZXODSSA-N 2 1 304.438 2.183 20 30 DEEDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000181697128 199340494 /nfs/dbraw/zinc/34/04/94/199340494.db2.gz VEHCTZCLYBYPHE-INIZCTEOSA-N 2 1 314.477 2.482 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421862461 1172059454 /nfs/dbraw/zinc/05/94/54/1172059454.db2.gz IKLCWTILZYPOOP-UHFFFAOYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001421862461 1172059464 /nfs/dbraw/zinc/05/94/64/1172059464.db2.gz IKLCWTILZYPOOP-UHFFFAOYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000579827661 357037207 /nfs/dbraw/zinc/03/72/07/357037207.db2.gz SEEYHFXQPMPNAR-HNNXBMFYSA-N 2 1 324.852 2.320 20 30 DEEDMP C[C@@H](CCC#N)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451873 360379557 /nfs/dbraw/zinc/37/95/57/360379557.db2.gz BJBTUJWCEMIXDX-OKZBNKHCSA-N 2 1 306.498 2.417 20 30 DEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443978705 238133270 /nfs/dbraw/zinc/13/32/70/238133270.db2.gz LCIOAUGFLOWBAK-UHFFFAOYSA-N 2 1 301.434 2.457 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000606371264 360999806 /nfs/dbraw/zinc/99/98/06/360999806.db2.gz FZSGXOJGHJRDME-DLBZAZTESA-N 2 1 307.482 2.286 20 30 DEEDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422973489 533541956 /nfs/dbraw/zinc/54/19/56/533541956.db2.gz BYOOIJRFPAANGL-KMFMINBZSA-N 2 1 316.424 2.396 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1CCCC2(CCC[N@@H+]([C@@H](CO)C(=C)C)C2)C1 ZINC000685593214 542742233 /nfs/dbraw/zinc/74/22/33/542742233.db2.gz QMZKSPGACMPWSA-ADUPEVMXSA-N 2 1 322.493 2.038 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1CCCC2(CCC[N@H+]([C@@H](CO)C(=C)C)C2)C1 ZINC000685593214 542742237 /nfs/dbraw/zinc/74/22/37/542742237.db2.gz QMZKSPGACMPWSA-ADUPEVMXSA-N 2 1 322.493 2.038 20 30 DEEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399123 133228062 /nfs/dbraw/zinc/22/80/62/133228062.db2.gz ZKRCNCWEMVIFBK-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399123 133228063 /nfs/dbraw/zinc/22/80/63/133228063.db2.gz ZKRCNCWEMVIFBK-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399123 133228064 /nfs/dbraw/zinc/22/80/64/133228064.db2.gz ZKRCNCWEMVIFBK-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399123 133228065 /nfs/dbraw/zinc/22/80/65/133228065.db2.gz ZKRCNCWEMVIFBK-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376798503 133308030 /nfs/dbraw/zinc/30/80/30/133308030.db2.gz ICZOYBRHQRODRA-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)NC1CC1 ZINC000078748067 401864188 /nfs/dbraw/zinc/86/41/88/401864188.db2.gz SCJOMRMJQRXPFS-KRWDZBQOSA-N 2 1 316.449 2.160 20 30 DEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687633 402454947 /nfs/dbraw/zinc/45/49/47/402454947.db2.gz BEHRQUXHXZLWQE-ZSYWTGECSA-N 2 1 300.446 2.424 20 30 DEEDMP CCSc1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)ccn1 ZINC000186883117 402469392 /nfs/dbraw/zinc/46/93/92/402469392.db2.gz WRTVHWDDWXZQEB-AWEZNQCLSA-N 2 1 321.494 2.082 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000179267392 402583438 /nfs/dbraw/zinc/58/34/38/402583438.db2.gz ONQPPAXIXCEVJR-UHFFFAOYSA-N 2 1 324.432 2.061 20 30 DEEDMP C=C(C)C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000181313123 402641161 /nfs/dbraw/zinc/64/11/61/402641161.db2.gz RBFDMBGIYRQHTH-UHFFFAOYSA-N 2 1 315.461 2.407 20 30 DEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268726689 403110339 /nfs/dbraw/zinc/11/03/39/403110339.db2.gz WRYIJKNJKAWPFX-SFHVURJKSA-N 2 1 301.434 2.396 20 30 DEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268726689 403110340 /nfs/dbraw/zinc/11/03/40/403110340.db2.gz WRYIJKNJKAWPFX-SFHVURJKSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500201 403181135 /nfs/dbraw/zinc/18/11/35/403181135.db2.gz WDKZGAUVNIORFW-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276500201 403181138 /nfs/dbraw/zinc/18/11/38/403181138.db2.gz WDKZGAUVNIORFW-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276500201 403181139 /nfs/dbraw/zinc/18/11/39/403181139.db2.gz WDKZGAUVNIORFW-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277179002 403197872 /nfs/dbraw/zinc/19/78/72/403197872.db2.gz CKWAUMYLISZYIX-HNNXBMFYSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000358150138 404755219 /nfs/dbraw/zinc/75/52/19/404755219.db2.gz ZLHNYEAJBQCIEP-INIZCTEOSA-N 2 1 310.825 2.061 20 30 DEEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Cl ZINC000358150138 404755221 /nfs/dbraw/zinc/75/52/21/404755221.db2.gz ZLHNYEAJBQCIEP-INIZCTEOSA-N 2 1 310.825 2.061 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429683122 405443274 /nfs/dbraw/zinc/44/32/74/405443274.db2.gz PSYDENCOOPFJLZ-XDNAFOTISA-N 2 1 304.482 2.169 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429683122 405443277 /nfs/dbraw/zinc/44/32/77/405443277.db2.gz PSYDENCOOPFJLZ-XDNAFOTISA-N 2 1 304.482 2.169 20 30 DEEDMP C=CC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583943698 405794047 /nfs/dbraw/zinc/79/40/47/405794047.db2.gz QTWJQJAWPZZHTG-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000491118329 406529355 /nfs/dbraw/zinc/52/93/55/406529355.db2.gz CIMFIHUTFORQSG-CQSZACIVSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000491118329 406529361 /nfs/dbraw/zinc/52/93/61/406529361.db2.gz CIMFIHUTFORQSG-CQSZACIVSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000491766497 406707940 /nfs/dbraw/zinc/70/79/40/406707940.db2.gz DQYLNBOGMHDPOC-UHFFFAOYSA-N 2 1 307.825 2.213 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000491766497 406707944 /nfs/dbraw/zinc/70/79/44/406707944.db2.gz DQYLNBOGMHDPOC-UHFFFAOYSA-N 2 1 307.825 2.213 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767587 406887469 /nfs/dbraw/zinc/88/74/69/406887469.db2.gz MBKMQJFYPDXASD-NZSAHSFTSA-N 2 1 300.446 2.403 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000641767587 406887471 /nfs/dbraw/zinc/88/74/71/406887471.db2.gz MBKMQJFYPDXASD-NZSAHSFTSA-N 2 1 300.446 2.403 20 30 DEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC(C)(C)C)CC2)oc1C ZINC000262530782 225277651 /nfs/dbraw/zinc/27/76/51/225277651.db2.gz NIALFIBUKMTJKN-UHFFFAOYSA-N 2 1 321.469 2.206 20 30 DEEDMP COCC#CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603327 425050078 /nfs/dbraw/zinc/05/00/78/425050078.db2.gz GXOOSWBEPTXYAY-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603327 425050081 /nfs/dbraw/zinc/05/00/81/425050081.db2.gz GXOOSWBEPTXYAY-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603327 425050083 /nfs/dbraw/zinc/05/00/83/425050083.db2.gz GXOOSWBEPTXYAY-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP COCC#CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603327 425050085 /nfs/dbraw/zinc/05/00/85/425050085.db2.gz GXOOSWBEPTXYAY-INIZCTEOSA-N 2 1 306.475 2.460 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655428 425195759 /nfs/dbraw/zinc/19/57/59/425195759.db2.gz MIQMHQHJTCYEHZ-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP CC1(C#N)CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333883078 276096601 /nfs/dbraw/zinc/09/66/01/276096601.db2.gz WPMGVMKNTYCQMX-UHFFFAOYSA-N 2 1 304.482 2.265 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCSCC1 ZINC000262790105 303219342 /nfs/dbraw/zinc/21/93/42/303219342.db2.gz KLBWIOALQHLHDH-OAHLLOKOSA-N 2 1 310.511 2.147 20 30 DEEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000582660201 337117307 /nfs/dbraw/zinc/11/73/07/337117307.db2.gz OUXYTJZNFPSKBZ-MFNRNEDNSA-N 2 1 314.433 2.231 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074132532 341129534 /nfs/dbraw/zinc/12/95/34/341129534.db2.gz RJJKCRBOJJXWKC-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794694 1161105218 /nfs/dbraw/zinc/10/52/18/1161105218.db2.gz PRXOMXNBKKEKIE-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261961268 526350017 /nfs/dbraw/zinc/35/00/17/526350017.db2.gz KGJICIYCAKNBTF-XJKSGUPXSA-N 2 1 304.482 2.214 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262014119 526382809 /nfs/dbraw/zinc/38/28/09/526382809.db2.gz XJFOYQIRWIYKDX-IAQYHMDHSA-N 2 1 306.479 2.204 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262014121 526383000 /nfs/dbraw/zinc/38/30/00/526383000.db2.gz XJFOYQIRWIYKDX-XHDPSFHLSA-N 2 1 306.479 2.204 20 30 DEEDMP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC000262231522 527314029 /nfs/dbraw/zinc/31/40/29/527314029.db2.gz ABOFHKGELCKRBL-CVEARBPZSA-N 2 1 318.852 2.403 20 30 DEEDMP CC[N@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266968615 527794704 /nfs/dbraw/zinc/79/47/04/527794704.db2.gz CQRJSLDBGDHRFX-UHFFFAOYSA-N 2 1 302.344 2.061 20 30 DEEDMP CC[N@@H+](C)CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266968615 527794709 /nfs/dbraw/zinc/79/47/09/527794709.db2.gz CQRJSLDBGDHRFX-UHFFFAOYSA-N 2 1 302.344 2.061 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001380987357 1152890025 /nfs/dbraw/zinc/89/00/25/1152890025.db2.gz GJUTVODSVLEZIT-UHFFFAOYSA-N 2 1 315.889 2.395 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001380987357 1152890028 /nfs/dbraw/zinc/89/00/28/1152890028.db2.gz GJUTVODSVLEZIT-UHFFFAOYSA-N 2 1 315.889 2.395 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459487 625452819 /nfs/dbraw/zinc/45/28/19/625452819.db2.gz OKHPGJCAMPFEPY-HUUCEWRRSA-N 2 1 324.428 2.417 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114317 622566693 /nfs/dbraw/zinc/56/66/93/622566693.db2.gz GKODFIXNDIDYIK-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156187 622594784 /nfs/dbraw/zinc/59/47/84/622594784.db2.gz LVLDEYGKHCJVHB-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156187 622594789 /nfs/dbraw/zinc/59/47/89/622594789.db2.gz LVLDEYGKHCJVHB-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156498 622596627 /nfs/dbraw/zinc/59/66/27/622596627.db2.gz UJJGIYJZRGQLNY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970028733 623063446 /nfs/dbraw/zinc/06/34/46/623063446.db2.gz WKOZVMRMKVWIQJ-WBVHZDCISA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000970171739 623272654 /nfs/dbraw/zinc/27/26/54/623272654.db2.gz MPTOMLBFVAXPNO-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575933 623779597 /nfs/dbraw/zinc/77/95/97/623779597.db2.gz PFRCHBKHHFQJIA-CVEARBPZSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604147 623817498 /nfs/dbraw/zinc/81/74/98/623817498.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604147 623817510 /nfs/dbraw/zinc/81/75/10/623817510.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604147 623817518 /nfs/dbraw/zinc/81/75/18/623817518.db2.gz BGIIBEKBEZRWEG-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978800619 634423574 /nfs/dbraw/zinc/42/35/74/634423574.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800619 634423576 /nfs/dbraw/zinc/42/35/76/634423576.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800619 634423579 /nfs/dbraw/zinc/42/35/79/634423579.db2.gz SKHHXZHCHNOKBJ-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761457 625041263 /nfs/dbraw/zinc/04/12/63/625041263.db2.gz GTXASDWURSGSNL-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761457 625041273 /nfs/dbraw/zinc/04/12/73/625041273.db2.gz GTXASDWURSGSNL-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372791 625242291 /nfs/dbraw/zinc/24/22/91/625242291.db2.gz XZQAUFMTXGJOHC-FUHWJXTLSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999198308 634514342 /nfs/dbraw/zinc/51/43/42/634514342.db2.gz BJRQLHLMVIPCEC-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373497 634569781 /nfs/dbraw/zinc/56/97/81/634569781.db2.gz QJCJHHOVDPCBHA-UONOGXRCSA-N 2 1 322.840 2.094 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692901 632923922 /nfs/dbraw/zinc/92/39/22/632923922.db2.gz SXLYCNUEGLTBSL-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692901 632923925 /nfs/dbraw/zinc/92/39/25/632923925.db2.gz SXLYCNUEGLTBSL-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2CN(C)C)C(C)(C)C1 ZINC000974979324 633382448 /nfs/dbraw/zinc/38/24/48/633382448.db2.gz UWOKXGPZCLFONP-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979324 633382449 /nfs/dbraw/zinc/38/24/49/633382449.db2.gz UWOKXGPZCLFONP-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979324 633382451 /nfs/dbraw/zinc/38/24/51/633382451.db2.gz UWOKXGPZCLFONP-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112130 633428569 /nfs/dbraw/zinc/42/85/69/633428569.db2.gz QLWUHNHRGFKPFW-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112130 633428572 /nfs/dbraw/zinc/42/85/72/633428572.db2.gz QLWUHNHRGFKPFW-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975112130 633428575 /nfs/dbraw/zinc/42/85/75/633428575.db2.gz QLWUHNHRGFKPFW-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975112130 633428578 /nfs/dbraw/zinc/42/85/78/633428578.db2.gz QLWUHNHRGFKPFW-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027418227 633757931 /nfs/dbraw/zinc/75/79/31/633757931.db2.gz UVSNHZSBCSEQIT-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027418227 633757936 /nfs/dbraw/zinc/75/79/36/633757936.db2.gz UVSNHZSBCSEQIT-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027418227 633757939 /nfs/dbraw/zinc/75/79/39/633757939.db2.gz UVSNHZSBCSEQIT-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480889 633865005 /nfs/dbraw/zinc/86/50/05/633865005.db2.gz NAHANPKFCSBQSM-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492013 633887117 /nfs/dbraw/zinc/88/71/17/633887117.db2.gz FNUKZQIZJKPRHD-KRWDZBQOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006286 634106829 /nfs/dbraw/zinc/10/68/29/634106829.db2.gz KLEUKFLOEUOJAE-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576748 634178928 /nfs/dbraw/zinc/17/89/28/634178928.db2.gz VWBQNQHMVOHIIN-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027576748 634178929 /nfs/dbraw/zinc/17/89/29/634178929.db2.gz VWBQNQHMVOHIIN-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576748 634178933 /nfs/dbraw/zinc/17/89/33/634178933.db2.gz VWBQNQHMVOHIIN-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576748 634178938 /nfs/dbraw/zinc/17/89/38/634178938.db2.gz VWBQNQHMVOHIIN-HIFRSBDPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575651 634181758 /nfs/dbraw/zinc/18/17/58/634181758.db2.gz BTNJMJLYSFFNRD-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575651 634181763 /nfs/dbraw/zinc/18/17/63/634181763.db2.gz BTNJMJLYSFFNRD-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575651 634181767 /nfs/dbraw/zinc/18/17/67/634181767.db2.gz BTNJMJLYSFFNRD-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001027575651 634181775 /nfs/dbraw/zinc/18/17/75/634181775.db2.gz BTNJMJLYSFFNRD-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001027628660 634334019 /nfs/dbraw/zinc/33/40/19/634334019.db2.gz HOWVTUUECPGNNF-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027925245 634980217 /nfs/dbraw/zinc/98/02/17/634980217.db2.gz QIWMGVOPAWWSSO-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925245 634980221 /nfs/dbraw/zinc/98/02/21/634980221.db2.gz QIWMGVOPAWWSSO-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925245 634980222 /nfs/dbraw/zinc/98/02/22/634980222.db2.gz QIWMGVOPAWWSSO-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000671464 635272259 /nfs/dbraw/zinc/27/22/59/635272259.db2.gz HIQFTLPYPQGKCC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683508 635275864 /nfs/dbraw/zinc/27/58/64/635275864.db2.gz ULDZXKVVEWKSSA-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683508 635275869 /nfs/dbraw/zinc/27/58/69/635275869.db2.gz ULDZXKVVEWKSSA-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000683508 635275875 /nfs/dbraw/zinc/27/58/75/635275875.db2.gz ULDZXKVVEWKSSA-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338789 635443646 /nfs/dbraw/zinc/44/36/46/635443646.db2.gz ZSGUADPYIKIHHB-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981510675 635510251 /nfs/dbraw/zinc/51/02/51/635510251.db2.gz WSBHRMWRGAJJFZ-UHFFFAOYSA-N 2 1 312.417 2.367 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922754 635578097 /nfs/dbraw/zinc/57/80/97/635578097.db2.gz AJQXGBVNHFKGKF-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000981825321 635671705 /nfs/dbraw/zinc/67/17/05/635671705.db2.gz PSWDSWMXVJULJO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000981825321 635671708 /nfs/dbraw/zinc/67/17/08/635671708.db2.gz PSWDSWMXVJULJO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000981825321 635671711 /nfs/dbraw/zinc/67/17/11/635671711.db2.gz PSWDSWMXVJULJO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848344 635691210 /nfs/dbraw/zinc/69/12/10/635691210.db2.gz KXBXYGKPURKZGD-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848344 635691215 /nfs/dbraw/zinc/69/12/15/635691215.db2.gz KXBXYGKPURKZGD-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848344 635691219 /nfs/dbraw/zinc/69/12/19/635691219.db2.gz KXBXYGKPURKZGD-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152090 635891135 /nfs/dbraw/zinc/89/11/35/635891135.db2.gz RKJREYSKJFPTNI-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152091 635891310 /nfs/dbraw/zinc/89/13/10/635891310.db2.gz RKJREYSKJFPTNI-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253689 635963338 /nfs/dbraw/zinc/96/33/38/635963338.db2.gz FGYGREGUTWTBFR-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333037 636133312 /nfs/dbraw/zinc/13/33/12/636133312.db2.gz IGLXXYGZEOQQSG-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389643 636148390 /nfs/dbraw/zinc/14/83/90/636148390.db2.gz VHSGNCRGIACEQZ-YRXWBPOGSA-N 2 1 313.445 2.128 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553150 636262001 /nfs/dbraw/zinc/26/20/01/636262001.db2.gz IQZKKBFJURRDJA-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553150 636262006 /nfs/dbraw/zinc/26/20/06/636262006.db2.gz IQZKKBFJURRDJA-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982553150 636262007 /nfs/dbraw/zinc/26/20/07/636262007.db2.gz IQZKKBFJURRDJA-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537248 636329616 /nfs/dbraw/zinc/32/96/16/636329616.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537248 636329619 /nfs/dbraw/zinc/32/96/19/636329619.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537248 636329629 /nfs/dbraw/zinc/32/96/29/636329629.db2.gz KOXMBPNIQGPCOC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579551 636372238 /nfs/dbraw/zinc/37/22/38/636372238.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579551 636372257 /nfs/dbraw/zinc/37/22/57/636372257.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579551 636372260 /nfs/dbraw/zinc/37/22/60/636372260.db2.gz GVXBKDKFHHTEJT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647446 636544719 /nfs/dbraw/zinc/54/47/19/636544719.db2.gz IGQQAMNVSLVVLB-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647446 636544721 /nfs/dbraw/zinc/54/47/21/636544721.db2.gz IGQQAMNVSLVVLB-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647446 636544722 /nfs/dbraw/zinc/54/47/22/636544722.db2.gz IGQQAMNVSLVVLB-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498524 636752389 /nfs/dbraw/zinc/75/23/89/636752389.db2.gz SYMGLOOXTBTJPN-INIZCTEOSA-N 2 1 316.449 2.259 20 30 DEEDMP CC(C)CNC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056307 636907673 /nfs/dbraw/zinc/90/76/73/636907673.db2.gz QZUGYKFTZKCSHW-QGZVFWFLSA-N 2 1 302.466 2.457 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335799 637122231 /nfs/dbraw/zinc/12/22/31/637122231.db2.gz DULFZHDOMJNLLX-CABCVRRESA-N 2 1 309.479 2.190 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923335799 637122233 /nfs/dbraw/zinc/12/22/33/637122233.db2.gz DULFZHDOMJNLLX-CABCVRRESA-N 2 1 309.479 2.190 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902665 637189266 /nfs/dbraw/zinc/18/92/66/637189266.db2.gz UNINZRKHNCOZRQ-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1cc(C(=O)OC)ccc1Cl ZINC000894863580 637271776 /nfs/dbraw/zinc/27/17/76/637271776.db2.gz JQGMRFWQKWOJEJ-UHFFFAOYSA-N 2 1 308.809 2.171 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000894863580 637271779 /nfs/dbraw/zinc/27/17/79/637271779.db2.gz JQGMRFWQKWOJEJ-UHFFFAOYSA-N 2 1 308.809 2.171 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895098359 637554268 /nfs/dbraw/zinc/55/42/68/637554268.db2.gz JXDDMTDYRNSUMI-QXAKKESOSA-N 2 1 300.446 2.261 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000985656382 639567118 /nfs/dbraw/zinc/56/71/18/639567118.db2.gz XHJCLZJCGCSBEV-CYBMUJFWSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000985656382 639567124 /nfs/dbraw/zinc/56/71/24/639567124.db2.gz XHJCLZJCGCSBEV-CYBMUJFWSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000985656382 639567125 /nfs/dbraw/zinc/56/71/25/639567125.db2.gz XHJCLZJCGCSBEV-CYBMUJFWSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800532 639642477 /nfs/dbraw/zinc/64/24/77/639642477.db2.gz GMLDQCSZUJGHAS-SFHVURJKSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800532 639642479 /nfs/dbraw/zinc/64/24/79/639642479.db2.gz GMLDQCSZUJGHAS-SFHVURJKSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989451537 641011234 /nfs/dbraw/zinc/01/12/34/641011234.db2.gz TXYKTVHAHCNLJR-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCCC[N@H+](CC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000898246614 641063981 /nfs/dbraw/zinc/06/39/81/641063981.db2.gz UZRJYTPDLYPHSI-UHFFFAOYSA-N 2 1 303.454 2.017 20 30 DEEDMP C=CCCC[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000898246614 641063988 /nfs/dbraw/zinc/06/39/88/641063988.db2.gz UZRJYTPDLYPHSI-UHFFFAOYSA-N 2 1 303.454 2.017 20 30 DEEDMP C=CCCC[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000898246614 641063992 /nfs/dbraw/zinc/06/39/92/641063992.db2.gz UZRJYTPDLYPHSI-UHFFFAOYSA-N 2 1 303.454 2.017 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989515035 641133373 /nfs/dbraw/zinc/13/33/73/641133373.db2.gz OWMXRAHGLNYXEA-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000771755517 641545038 /nfs/dbraw/zinc/54/50/38/641545038.db2.gz DPFPKYQVUHRZIS-QGZVFWFLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990683084 641600929 /nfs/dbraw/zinc/60/09/29/641600929.db2.gz IVEQVLQAJWDPAL-ZIFCJYIRSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000900158597 642275867 /nfs/dbraw/zinc/27/58/67/642275867.db2.gz QYAGLPJQPZEPQB-AWEZNQCLSA-N 2 1 321.490 2.119 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000900158597 642275875 /nfs/dbraw/zinc/27/58/75/642275875.db2.gz QYAGLPJQPZEPQB-AWEZNQCLSA-N 2 1 321.490 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621835 /nfs/dbraw/zinc/62/18/35/643621835.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621836 /nfs/dbraw/zinc/62/18/36/643621836.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044976 643621837 /nfs/dbraw/zinc/62/18/37/643621837.db2.gz SENJBIKSXWOVBZ-YQVWRLOYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000905763921 644037521 /nfs/dbraw/zinc/03/75/21/644037521.db2.gz UTYLTVYEGQKFQM-MRXNPFEDSA-N 2 1 303.406 2.005 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000913481362 646365608 /nfs/dbraw/zinc/36/56/08/646365608.db2.gz YWXUMVPPFITJRA-KRWDZBQOSA-N 2 1 315.461 2.400 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991619185 646547842 /nfs/dbraw/zinc/54/78/42/646547842.db2.gz FAJIUISTOYODNO-WMZOPIPTSA-N 2 1 310.401 2.247 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991857680 646670960 /nfs/dbraw/zinc/67/09/60/646670960.db2.gz DUGJISTVIWIVMZ-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991857680 646670962 /nfs/dbraw/zinc/67/09/62/646670962.db2.gz DUGJISTVIWIVMZ-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388832791 1155117274 /nfs/dbraw/zinc/11/72/74/1155117274.db2.gz KJURZHGFCZTZGN-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001388832791 1155117280 /nfs/dbraw/zinc/11/72/80/1155117280.db2.gz KJURZHGFCZTZGN-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001388832791 1155117284 /nfs/dbraw/zinc/11/72/84/1155117284.db2.gz KJURZHGFCZTZGN-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001388832791 1155117296 /nfs/dbraw/zinc/11/72/96/1155117296.db2.gz KJURZHGFCZTZGN-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001388832791 1155117310 /nfs/dbraw/zinc/11/73/10/1155117310.db2.gz KJURZHGFCZTZGN-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000817918291 647381331 /nfs/dbraw/zinc/38/13/31/647381331.db2.gz KNZWFHKSVPTNCM-RBSFLKMASA-N 2 1 303.406 2.346 20 30 DEEDMP C#CCN1CCC[C@H](NC(=O)c2sccc2CN(C)C)[C@@H]1C ZINC000993399362 647649231 /nfs/dbraw/zinc/64/92/31/647649231.db2.gz SSQMEONJHXOFQI-ZFWWWQNUSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481733 647684084 /nfs/dbraw/zinc/68/40/84/647684084.db2.gz SGOOCACYGKVEQE-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928479 647763007 /nfs/dbraw/zinc/76/30/07/647763007.db2.gz NNEZIMISYIAUHL-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994057670 647782409 /nfs/dbraw/zinc/78/24/09/647782409.db2.gz RFMSKCPTQNKJNQ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785584 648941144 /nfs/dbraw/zinc/94/11/44/648941144.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785584 648941146 /nfs/dbraw/zinc/94/11/46/648941146.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785584 648941148 /nfs/dbraw/zinc/94/11/48/648941148.db2.gz OIHWHURKPBQCJT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941162928 649011664 /nfs/dbraw/zinc/01/16/64/649011664.db2.gz CEBVAZOHGODEAK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162928 649011665 /nfs/dbraw/zinc/01/16/65/649011665.db2.gz CEBVAZOHGODEAK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162928 649011667 /nfs/dbraw/zinc/01/16/67/649011667.db2.gz CEBVAZOHGODEAK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257924 649192157 /nfs/dbraw/zinc/19/21/57/649192157.db2.gz MUWZSIDMMHHLBG-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439281 649215646 /nfs/dbraw/zinc/21/56/46/649215646.db2.gz LWPYDWNCJMXAKU-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555227 649245609 /nfs/dbraw/zinc/24/56/09/649245609.db2.gz GRZBPQHMOKXSHU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821178 649289635 /nfs/dbraw/zinc/28/96/35/649289635.db2.gz CVXFVFWIOKPLHR-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047663 649475543 /nfs/dbraw/zinc/47/55/43/649475543.db2.gz UYPURBAWDIFDQS-QAPCUYQASA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169364 649490470 /nfs/dbraw/zinc/49/04/70/649490470.db2.gz ONWMQONNUUPALT-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169364 649490472 /nfs/dbraw/zinc/49/04/72/649490472.db2.gz ONWMQONNUUPALT-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792559 685261881 /nfs/dbraw/zinc/26/18/81/685261881.db2.gz LCKWDTWOJWNUNG-CVEARBPZSA-N 2 1 318.465 2.151 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799092 685450541 /nfs/dbraw/zinc/45/05/41/685450541.db2.gz QNOLFMWMOJHSBK-OAHLLOKOSA-N 2 1 302.418 2.281 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799092 685450544 /nfs/dbraw/zinc/45/05/44/685450544.db2.gz QNOLFMWMOJHSBK-OAHLLOKOSA-N 2 1 302.418 2.281 20 30 DEEDMP C=CCNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000081984296 683995348 /nfs/dbraw/zinc/99/53/48/683995348.db2.gz QVJULMZOROZZNE-ZFWWWQNUSA-N 2 1 306.479 2.482 20 30 DEEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCSCC2)C1 ZINC000104178887 684059133 /nfs/dbraw/zinc/05/91/33/684059133.db2.gz LPOAVEQNFJFMAB-OKILXGFUSA-N 2 1 312.527 2.106 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245493 693898916 /nfs/dbraw/zinc/89/89/16/693898916.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245493 693898923 /nfs/dbraw/zinc/89/89/23/693898923.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245493 693898930 /nfs/dbraw/zinc/89/89/30/693898930.db2.gz UFFCCLLPDIAFFI-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP CCNC(NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000303369450 685232544 /nfs/dbraw/zinc/23/25/44/685232544.db2.gz JMBCOYLNLWJLHL-QGZVFWFLSA-N 2 1 302.466 2.398 20 30 DEEDMP CCNC(NC[C@@H](CC)[N@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000303369450 685232546 /nfs/dbraw/zinc/23/25/46/685232546.db2.gz JMBCOYLNLWJLHL-QGZVFWFLSA-N 2 1 302.466 2.398 20 30 DEEDMP C[C@H]1CCCC[N@H+]1CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303777087 685234623 /nfs/dbraw/zinc/23/46/23/685234623.db2.gz IPFYCJRNUZOQGR-INIZCTEOSA-N 2 1 302.466 2.398 20 30 DEEDMP C[C@@H]1CCC[N@@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868919 685236922 /nfs/dbraw/zinc/23/69/22/685236922.db2.gz APZCWWOTNJAEEP-MRXNPFEDSA-N 2 1 302.466 2.426 20 30 DEEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000303900897 685239001 /nfs/dbraw/zinc/23/90/01/685239001.db2.gz SLEZZFZLVQJRPL-ZDUSSCGKSA-N 2 1 320.437 2.162 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984144 685242310 /nfs/dbraw/zinc/24/23/10/685242310.db2.gz RUMFOMAKWCAEDH-INIZCTEOSA-N 2 1 320.456 2.492 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662534 687677400 /nfs/dbraw/zinc/67/74/00/687677400.db2.gz KLONDYLSLBMASZ-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017633368 687929111 /nfs/dbraw/zinc/92/91/11/687929111.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017633368 687929115 /nfs/dbraw/zinc/92/91/15/687929115.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017633368 687929119 /nfs/dbraw/zinc/92/91/19/687929119.db2.gz VYDOEMZVPWCYEZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017639620 687929937 /nfs/dbraw/zinc/92/99/37/687929937.db2.gz OQYDOQVRAOHQRS-BBWFWOEESA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736448 687951336 /nfs/dbraw/zinc/95/13/36/687951336.db2.gz SZNJVISWDNCNIV-CALCHBBNSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001020340683 688506113 /nfs/dbraw/zinc/50/61/13/688506113.db2.gz VRXNNJLBZZRGKB-KKUMJFAQSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001032399810 689140319 /nfs/dbraw/zinc/14/03/19/689140319.db2.gz IOFAQSPYQGEMDF-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001032399810 689140321 /nfs/dbraw/zinc/14/03/21/689140321.db2.gz IOFAQSPYQGEMDF-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001032399810 689140323 /nfs/dbraw/zinc/14/03/23/689140323.db2.gz IOFAQSPYQGEMDF-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145890 689403573 /nfs/dbraw/zinc/40/35/73/689403573.db2.gz LNGBDFHFEILXEN-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033145890 689403575 /nfs/dbraw/zinc/40/35/75/689403575.db2.gz LNGBDFHFEILXEN-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033145890 689403577 /nfs/dbraw/zinc/40/35/77/689403577.db2.gz LNGBDFHFEILXEN-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033467483 689511731 /nfs/dbraw/zinc/51/17/31/689511731.db2.gz PVCIBCBPPMMSLO-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033467483 689511734 /nfs/dbraw/zinc/51/17/34/689511734.db2.gz PVCIBCBPPMMSLO-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573975 689547845 /nfs/dbraw/zinc/54/78/45/689547845.db2.gz KYOJIQWKOHUVEY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573975 689547848 /nfs/dbraw/zinc/54/78/48/689547848.db2.gz KYOJIQWKOHUVEY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573975 689547850 /nfs/dbraw/zinc/54/78/50/689547850.db2.gz KYOJIQWKOHUVEY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573975 689547854 /nfs/dbraw/zinc/54/78/54/689547854.db2.gz KYOJIQWKOHUVEY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932351 689665946 /nfs/dbraw/zinc/66/59/46/689665946.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932351 689665947 /nfs/dbraw/zinc/66/59/47/689665947.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932351 689665949 /nfs/dbraw/zinc/66/59/49/689665949.db2.gz LWFBDMVXRWQMKV-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204257 689761912 /nfs/dbraw/zinc/76/19/12/689761912.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204257 689761916 /nfs/dbraw/zinc/76/19/16/689761916.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204257 689761918 /nfs/dbraw/zinc/76/19/18/689761918.db2.gz LDKQVRNCSYVIHQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310384 689805685 /nfs/dbraw/zinc/80/56/85/689805685.db2.gz XECAKWPPUNCURO-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340031 689814205 /nfs/dbraw/zinc/81/42/05/689814205.db2.gz LJABUFZVOLLYAO-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384076 689830090 /nfs/dbraw/zinc/83/00/90/689830090.db2.gz CPNFDSNQRYIHMV-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384076 689830094 /nfs/dbraw/zinc/83/00/94/689830094.db2.gz CPNFDSNQRYIHMV-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432022 689847536 /nfs/dbraw/zinc/84/75/36/689847536.db2.gz RXITWZDFAGIJGO-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437529 689851014 /nfs/dbraw/zinc/85/10/14/689851014.db2.gz GXAQCTAUYKXXOG-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486559 689869564 /nfs/dbraw/zinc/86/95/64/689869564.db2.gz BGXRHKIQJSPJPC-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486559 689869565 /nfs/dbraw/zinc/86/95/65/689869565.db2.gz BGXRHKIQJSPJPC-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486559 689869567 /nfs/dbraw/zinc/86/95/67/689869567.db2.gz BGXRHKIQJSPJPC-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876597671 689870728 /nfs/dbraw/zinc/87/07/28/689870728.db2.gz PYXQOUBBTOUOJQ-INIZCTEOSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000876597671 689870732 /nfs/dbraw/zinc/87/07/32/689870732.db2.gz PYXQOUBBTOUOJQ-INIZCTEOSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000876597671 689870737 /nfs/dbraw/zinc/87/07/37/689870737.db2.gz PYXQOUBBTOUOJQ-INIZCTEOSA-N 2 1 300.450 2.398 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876597671 689870741 /nfs/dbraw/zinc/87/07/41/689870741.db2.gz PYXQOUBBTOUOJQ-INIZCTEOSA-N 2 1 300.450 2.398 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662891 689922487 /nfs/dbraw/zinc/92/24/87/689922487.db2.gz MWDKNQAUVCEDHS-JFIYKMOQSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194406 690056856 /nfs/dbraw/zinc/05/68/56/690056856.db2.gz LUOJJLPBSFNZLC-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194406 690056860 /nfs/dbraw/zinc/05/68/60/690056860.db2.gz LUOJJLPBSFNZLC-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708667 690157376 /nfs/dbraw/zinc/15/73/76/690157376.db2.gz YJSNWLIXOUGEFM-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP COCC[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000877664977 690182842 /nfs/dbraw/zinc/18/28/42/690182842.db2.gz AJHHRXQJKMZQNA-UHFFFAOYSA-N 2 1 301.434 2.348 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036737776 690453844 /nfs/dbraw/zinc/45/38/44/690453844.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737776 690453847 /nfs/dbraw/zinc/45/38/47/690453847.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737776 690453848 /nfs/dbraw/zinc/45/38/48/690453848.db2.gz WDURUJOKEMOULB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773549 690469865 /nfs/dbraw/zinc/46/98/65/690469865.db2.gz PHSFXJWLODCWDS-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903583 690522592 /nfs/dbraw/zinc/52/25/92/690522592.db2.gz CPZDMYSMQJROMA-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001038624900 690878866 /nfs/dbraw/zinc/87/88/66/690878866.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001038624900 690878869 /nfs/dbraw/zinc/87/88/69/690878869.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001038624900 690878874 /nfs/dbraw/zinc/87/88/74/690878874.db2.gz OWZSKTVQRGWZBF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038815530 690932570 /nfs/dbraw/zinc/93/25/70/690932570.db2.gz FYCNKOQCAXBSOO-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224710 691060248 /nfs/dbraw/zinc/06/02/48/691060248.db2.gz IPSZMDOUKPUTCH-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001039343246 691085386 /nfs/dbraw/zinc/08/53/86/691085386.db2.gz MXSANCXBYUSBKK-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001039343246 691085388 /nfs/dbraw/zinc/08/53/88/691085388.db2.gz MXSANCXBYUSBKK-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001039343246 691085389 /nfs/dbraw/zinc/08/53/89/691085389.db2.gz MXSANCXBYUSBKK-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392079 691096257 /nfs/dbraw/zinc/09/62/57/691096257.db2.gz CIHPOHPGILORCQ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039423689 691102823 /nfs/dbraw/zinc/10/28/23/691102823.db2.gz HILBGPDVDAOCCS-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423689 691102827 /nfs/dbraw/zinc/10/28/27/691102827.db2.gz HILBGPDVDAOCCS-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039423689 691102830 /nfs/dbraw/zinc/10/28/30/691102830.db2.gz HILBGPDVDAOCCS-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250549 691220369 /nfs/dbraw/zinc/22/03/69/691220369.db2.gz QVVVNNDOENQHAS-WMZOPIPTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242678 /nfs/dbraw/zinc/24/26/78/691242678.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242681 /nfs/dbraw/zinc/24/26/81/691242681.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395442 691242686 /nfs/dbraw/zinc/24/26/86/691242686.db2.gz PYINEJARSARNSX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040527110 691261768 /nfs/dbraw/zinc/26/17/68/691261768.db2.gz FSTGPRHGIWNCKH-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040527110 691261771 /nfs/dbraw/zinc/26/17/71/691261771.db2.gz FSTGPRHGIWNCKH-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040527110 691261773 /nfs/dbraw/zinc/26/17/73/691261773.db2.gz FSTGPRHGIWNCKH-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747068 691284520 /nfs/dbraw/zinc/28/45/20/691284520.db2.gz LDNKXLUFUWZKSN-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373800 691368410 /nfs/dbraw/zinc/36/84/10/691368410.db2.gz XSKJRRVEJWJPHN-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373800 691368411 /nfs/dbraw/zinc/36/84/11/691368411.db2.gz XSKJRRVEJWJPHN-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373800 691368414 /nfs/dbraw/zinc/36/84/14/691368414.db2.gz XSKJRRVEJWJPHN-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624575 691402705 /nfs/dbraw/zinc/40/27/05/691402705.db2.gz BJARZPXBPKYRBB-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371150 691585005 /nfs/dbraw/zinc/58/50/05/691585005.db2.gz MBRUUXNTVKVCET-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001043072279 691672593 /nfs/dbraw/zinc/67/25/93/691672593.db2.gz FBQKJBOGSAGOJK-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043072279 691672597 /nfs/dbraw/zinc/67/25/97/691672597.db2.gz FBQKJBOGSAGOJK-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543120 692643428 /nfs/dbraw/zinc/64/34/28/692643428.db2.gz MUKALUMLOIPCMM-BJWYYQGGSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592766 692934593 /nfs/dbraw/zinc/93/45/93/692934593.db2.gz JRUMNLUIYBBCOG-SJORKVTESA-N 2 1 310.401 2.199 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095556 693107046 /nfs/dbraw/zinc/10/70/46/693107046.db2.gz UPFNWMKSJRJRNV-WMLDXEAASA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519443 693199836 /nfs/dbraw/zinc/19/98/36/693199836.db2.gz IHXDOFKOVBUYJR-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050728444 693239275 /nfs/dbraw/zinc/23/92/75/693239275.db2.gz SHUUQPOHKQTRFX-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529497 693559738 /nfs/dbraw/zinc/55/97/38/693559738.db2.gz RMWIFYPTBOGWQK-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592783 693574492 /nfs/dbraw/zinc/57/44/92/693574492.db2.gz YUYUEWFSSPOWOS-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651727 693588744 /nfs/dbraw/zinc/58/87/44/693588744.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651727 693588747 /nfs/dbraw/zinc/58/87/47/693588747.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651727 693588750 /nfs/dbraw/zinc/58/87/50/693588750.db2.gz MNTIHXKTJKGDDH-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052679722 693594432 /nfs/dbraw/zinc/59/44/32/693594432.db2.gz BGKNXJTUPHTUIR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052866015 693637139 /nfs/dbraw/zinc/63/71/39/693637139.db2.gz UDFDZTCVHWZCSC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052866015 693637140 /nfs/dbraw/zinc/63/71/40/693637140.db2.gz UDFDZTCVHWZCSC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052866015 693637141 /nfs/dbraw/zinc/63/71/41/693637141.db2.gz UDFDZTCVHWZCSC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956282 693656789 /nfs/dbraw/zinc/65/67/89/693656789.db2.gz RGUUWOSDMNFVEX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956282 693656793 /nfs/dbraw/zinc/65/67/93/693656793.db2.gz RGUUWOSDMNFVEX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956282 693656796 /nfs/dbraw/zinc/65/67/96/693656796.db2.gz RGUUWOSDMNFVEX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480083934 1151584414 /nfs/dbraw/zinc/58/44/14/1151584414.db2.gz IKPBHIBTTUHKOU-MSOLQXFVSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001353483279 1151833469 /nfs/dbraw/zinc/83/34/69/1151833469.db2.gz SYTOEKWBLIZGPK-GOSISDBHSA-N 2 1 315.461 2.235 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001380972605 1152888432 /nfs/dbraw/zinc/88/84/32/1152888432.db2.gz PQCWLRUZVHXYOO-GJZGRUSLSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001380972605 1152888434 /nfs/dbraw/zinc/88/84/34/1152888434.db2.gz PQCWLRUZVHXYOO-GJZGRUSLSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001380972605 1152888435 /nfs/dbraw/zinc/88/84/35/1152888435.db2.gz PQCWLRUZVHXYOO-GJZGRUSLSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001380972605 1152888438 /nfs/dbraw/zinc/88/84/38/1152888438.db2.gz PQCWLRUZVHXYOO-GJZGRUSLSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001390607996 1155813188 /nfs/dbraw/zinc/81/31/88/1155813188.db2.gz HNMBJEHLJZNVGE-UONOGXRCSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)CN1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001392995404 1157596035 /nfs/dbraw/zinc/59/60/35/1157596035.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001392995404 1157596053 /nfs/dbraw/zinc/59/60/53/1157596053.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001392995404 1157596061 /nfs/dbraw/zinc/59/60/61/1157596061.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001392995404 1157596068 /nfs/dbraw/zinc/59/60/68/1157596068.db2.gz WYHYWTBTELQVQO-MRXNPFEDSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001376685215 1159677882 /nfs/dbraw/zinc/67/78/82/1159677882.db2.gz PKNYIPHNRLIOPP-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001401230881 1161899436 /nfs/dbraw/zinc/89/94/36/1161899436.db2.gz ZFUMUAXJLJZVQN-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001417898243 1167291212 /nfs/dbraw/zinc/29/12/12/1167291212.db2.gz HWRRHAFUKZWEDG-HUUCEWRRSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001420000920 1169050326 /nfs/dbraw/zinc/05/03/26/1169050326.db2.gz YVCYMRVXGNKYIA-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001420000925 1169050649 /nfs/dbraw/zinc/05/06/49/1169050649.db2.gz YVCYMRVXGNKYIA-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001424073304 1173643447 /nfs/dbraw/zinc/64/34/47/1173643447.db2.gz WYGAPMUSTAUHPE-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001424302755 1173748037 /nfs/dbraw/zinc/74/80/37/1173748037.db2.gz DOJOXPOOASFILN-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001424302755 1173748040 /nfs/dbraw/zinc/74/80/40/1173748040.db2.gz DOJOXPOOASFILN-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001424302755 1173748044 /nfs/dbraw/zinc/74/80/44/1173748044.db2.gz DOJOXPOOASFILN-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001424302755 1173748049 /nfs/dbraw/zinc/74/80/49/1173748049.db2.gz DOJOXPOOASFILN-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001437333664 1179731726 /nfs/dbraw/zinc/73/17/26/1179731726.db2.gz QBVIWGJXBUFXQQ-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440537593 1181586592 /nfs/dbraw/zinc/58/65/92/1181586592.db2.gz KOXUKRRTQYQIDV-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001441096008 1181846390 /nfs/dbraw/zinc/84/63/90/1181846390.db2.gz ZLPFRXRPRXVELB-HUUCEWRRSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001446667401 1184485677 /nfs/dbraw/zinc/48/56/77/1184485677.db2.gz SHZHRZIHZBLPNH-ZBFHGGJFSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001446667401 1184485686 /nfs/dbraw/zinc/48/56/86/1184485686.db2.gz SHZHRZIHZBLPNH-ZBFHGGJFSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001446667401 1184485692 /nfs/dbraw/zinc/48/56/92/1184485692.db2.gz SHZHRZIHZBLPNH-ZBFHGGJFSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001446667401 1184485700 /nfs/dbraw/zinc/48/57/00/1184485700.db2.gz SHZHRZIHZBLPNH-ZBFHGGJFSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001449013488 1185487485 /nfs/dbraw/zinc/48/74/85/1185487485.db2.gz NFOGOWZALYMZHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001449013488 1185487487 /nfs/dbraw/zinc/48/74/87/1185487487.db2.gz NFOGOWZALYMZHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CCC)CC1 ZINC001449364128 1185679010 /nfs/dbraw/zinc/67/90/10/1185679010.db2.gz FTHSJBBVNAUJTG-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CCC)CC1 ZINC001449364128 1185679021 /nfs/dbraw/zinc/67/90/21/1185679021.db2.gz FTHSJBBVNAUJTG-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001333179334 1150011499 /nfs/dbraw/zinc/01/14/99/1150011499.db2.gz FIPSZQJXSHVVPG-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050042 790419114 /nfs/dbraw/zinc/41/91/14/790419114.db2.gz HEBKWNOKVWPPGJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050042 790419117 /nfs/dbraw/zinc/41/91/17/790419117.db2.gz HEBKWNOKVWPPGJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050042 790419121 /nfs/dbraw/zinc/41/91/21/790419121.db2.gz HEBKWNOKVWPPGJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167376453 776966233 /nfs/dbraw/zinc/96/62/33/776966233.db2.gz DASXMMXXSXLVQA-UHFFFAOYSA-N 2 1 318.465 2.459 20 30 DEEDMP N#Cc1ccc(CCNc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001167678414 777627939 /nfs/dbraw/zinc/62/79/39/777627939.db2.gz HEXFOZGTCPBJRJ-UHFFFAOYSA-N 2 1 307.401 2.017 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100382999 778788978 /nfs/dbraw/zinc/78/89/78/778788978.db2.gz GXCYLFXICWPCEI-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073461551 790669540 /nfs/dbraw/zinc/66/95/40/790669540.db2.gz FOVBJHBKKMPGGN-KRWDZBQOSA-N 2 1 313.445 2.010 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073461551 790669543 /nfs/dbraw/zinc/66/95/43/790669543.db2.gz FOVBJHBKKMPGGN-KRWDZBQOSA-N 2 1 313.445 2.010 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625568 779384497 /nfs/dbraw/zinc/38/44/97/779384497.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1CC ZINC001087625568 779384502 /nfs/dbraw/zinc/38/45/02/779384502.db2.gz MMTTZSBDSLHCEU-RRFJBIMHSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369257 780029733 /nfs/dbraw/zinc/02/97/33/780029733.db2.gz FAWYWKLPQPJJFK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437032 780054894 /nfs/dbraw/zinc/05/48/94/780054894.db2.gz ZFTMKHMWLZPHIS-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091064751 790889215 /nfs/dbraw/zinc/88/92/15/790889215.db2.gz OOLVDZBXWMXNQV-CGZBRXJRSA-N 2 1 307.482 2.025 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882540 783254484 /nfs/dbraw/zinc/25/44/84/783254484.db2.gz UXEDDNKLAWNCLA-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910826 783420432 /nfs/dbraw/zinc/42/04/32/783420432.db2.gz QJDFHIRGFHKZPE-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386079 783448711 /nfs/dbraw/zinc/44/87/11/783448711.db2.gz SLNQNRYJJBVIGV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386079 783448715 /nfs/dbraw/zinc/44/87/15/783448715.db2.gz SLNQNRYJJBVIGV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386079 783448719 /nfs/dbraw/zinc/44/87/19/783448719.db2.gz SLNQNRYJJBVIGV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386077 783449053 /nfs/dbraw/zinc/44/90/53/783449053.db2.gz SLNQNRYJJBVIGV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386077 783449061 /nfs/dbraw/zinc/44/90/61/783449061.db2.gz SLNQNRYJJBVIGV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386077 783449066 /nfs/dbraw/zinc/44/90/66/783449066.db2.gz SLNQNRYJJBVIGV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274972 783488235 /nfs/dbraw/zinc/48/82/35/783488235.db2.gz NRHSBIMFPPJPTD-ABFRBSLYSA-N 2 1 316.449 2.039 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127675275 783513501 /nfs/dbraw/zinc/51/35/01/783513501.db2.gz PULYBEFACTUAJB-CABCVRRESA-N 2 1 306.454 2.457 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085225339 783590478 /nfs/dbraw/zinc/59/04/78/783590478.db2.gz RXBJQKADTZPCDX-KURKYZTESA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208221 783905977 /nfs/dbraw/zinc/90/59/77/783905977.db2.gz RNZCHWDPLJQTPJ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086119656 784420368 /nfs/dbraw/zinc/42/03/68/784420368.db2.gz VZFDREUMDXKIFS-TWMKSMIVSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)C ZINC000968892893 784640053 /nfs/dbraw/zinc/64/00/53/784640053.db2.gz DPPBOGPTXAZBJI-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007498325 784937932 /nfs/dbraw/zinc/93/79/32/784937932.db2.gz ZVTOJGFGLUOZTD-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498325 784937940 /nfs/dbraw/zinc/93/79/40/784937940.db2.gz ZVTOJGFGLUOZTD-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498325 784937945 /nfs/dbraw/zinc/93/79/45/784937945.db2.gz ZVTOJGFGLUOZTD-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009249053 785415683 /nfs/dbraw/zinc/41/56/83/785415683.db2.gz WVVLMENKLUIXSL-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009249053 785415691 /nfs/dbraw/zinc/41/56/91/785415691.db2.gz WVVLMENKLUIXSL-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794151 785540366 /nfs/dbraw/zinc/54/03/66/785540366.db2.gz PHYKIERNBUSCHQ-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnc1C)C2 ZINC001109845145 786083421 /nfs/dbraw/zinc/08/34/21/786083421.db2.gz WSDQXXSZKDXGAM-IKGGRYGDSA-N 2 1 316.449 2.269 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109845145 786083431 /nfs/dbraw/zinc/08/34/31/786083431.db2.gz WSDQXXSZKDXGAM-IKGGRYGDSA-N 2 1 316.449 2.269 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060040 786880471 /nfs/dbraw/zinc/88/04/71/786880471.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060040 786880478 /nfs/dbraw/zinc/88/04/78/786880478.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060040 786880486 /nfs/dbraw/zinc/88/04/86/786880486.db2.gz RMFQHMGBEQIZTM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364788 787636755 /nfs/dbraw/zinc/63/67/55/787636755.db2.gz ZBCBTWDRSHJVME-KMFMINBZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364788 787636757 /nfs/dbraw/zinc/63/67/57/787636757.db2.gz ZBCBTWDRSHJVME-KMFMINBZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220631 788024478 /nfs/dbraw/zinc/02/44/78/788024478.db2.gz WNAJWHUKQOZWRX-VQHPVUNQSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220631 788024486 /nfs/dbraw/zinc/02/44/86/788024486.db2.gz WNAJWHUKQOZWRX-VQHPVUNQSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220631 788024496 /nfs/dbraw/zinc/02/44/96/788024496.db2.gz WNAJWHUKQOZWRX-VQHPVUNQSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315189 788059333 /nfs/dbraw/zinc/05/93/33/788059333.db2.gz ORKJXCMTSZBBFY-ZACQAIPSSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524091 788113616 /nfs/dbraw/zinc/11/36/16/788113616.db2.gz CZOIMPBUVHZMCK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345926 788375178 /nfs/dbraw/zinc/37/51/78/788375178.db2.gz IHABEUKTCLYWJQ-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137692 789739898 /nfs/dbraw/zinc/73/98/98/789739898.db2.gz RRSOXEYSLHSZGT-KURKYZTESA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930571 789977258 /nfs/dbraw/zinc/97/72/58/789977258.db2.gz HCCVLSLNVYMMHO-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725727 791607969 /nfs/dbraw/zinc/60/79/69/791607969.db2.gz YZFQKLOYLHTSPT-WBVHZDCISA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147787884 791624448 /nfs/dbraw/zinc/62/44/48/791624448.db2.gz LETWPZAMENNBKQ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147787884 791624453 /nfs/dbraw/zinc/62/44/53/791624453.db2.gz LETWPZAMENNBKQ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001147787884 791624456 /nfs/dbraw/zinc/62/44/56/791624456.db2.gz LETWPZAMENNBKQ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147836577 791634550 /nfs/dbraw/zinc/63/45/50/791634550.db2.gz ZBXOLEGDSFCQBK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147836577 791634555 /nfs/dbraw/zinc/63/45/55/791634555.db2.gz ZBXOLEGDSFCQBK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147836577 791634557 /nfs/dbraw/zinc/63/45/57/791634557.db2.gz ZBXOLEGDSFCQBK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205157 791706477 /nfs/dbraw/zinc/70/64/77/791706477.db2.gz ANHGPLUWHNVWGG-MRXNPFEDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130608 791934739 /nfs/dbraw/zinc/93/47/39/791934739.db2.gz CRVBKKYQUQTLCH-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198946 791943337 /nfs/dbraw/zinc/94/33/37/791943337.db2.gz DDOMSMHXCHJAMN-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198946 791943341 /nfs/dbraw/zinc/94/33/41/791943341.db2.gz DDOMSMHXCHJAMN-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198946 791943345 /nfs/dbraw/zinc/94/33/45/791943345.db2.gz DDOMSMHXCHJAMN-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092602981 792081819 /nfs/dbraw/zinc/08/18/19/792081819.db2.gz PNSKMOOWWMPCLD-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602981 792081830 /nfs/dbraw/zinc/08/18/30/792081830.db2.gz PNSKMOOWWMPCLD-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602981 792081840 /nfs/dbraw/zinc/08/18/40/792081840.db2.gz PNSKMOOWWMPCLD-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116486 792101523 /nfs/dbraw/zinc/10/15/23/792101523.db2.gz RSYXBYROOFUKFN-CVEARBPZSA-N 2 1 309.498 2.365 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130769 792107576 /nfs/dbraw/zinc/10/75/76/792107576.db2.gz RGPMBBPZCCXISL-MRXNPFEDSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130769 792107580 /nfs/dbraw/zinc/10/75/80/792107580.db2.gz RGPMBBPZCCXISL-MRXNPFEDSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130769 792107585 /nfs/dbraw/zinc/10/75/85/792107585.db2.gz RGPMBBPZCCXISL-MRXNPFEDSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092757690 792123506 /nfs/dbraw/zinc/12/35/06/792123506.db2.gz GUXLNOGBLBIDIS-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757690 792123509 /nfs/dbraw/zinc/12/35/09/792123509.db2.gz GUXLNOGBLBIDIS-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757690 792123511 /nfs/dbraw/zinc/12/35/11/792123511.db2.gz GUXLNOGBLBIDIS-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092757691 792123613 /nfs/dbraw/zinc/12/36/13/792123613.db2.gz GUXLNOGBLBIDIS-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757691 792123614 /nfs/dbraw/zinc/12/36/14/792123614.db2.gz GUXLNOGBLBIDIS-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757691 792123616 /nfs/dbraw/zinc/12/36/16/792123616.db2.gz GUXLNOGBLBIDIS-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310551 792166666 /nfs/dbraw/zinc/16/66/66/792166666.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310551 792166668 /nfs/dbraw/zinc/16/66/68/792166668.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310551 792166675 /nfs/dbraw/zinc/16/66/75/792166675.db2.gz PHHSYYMUYFACPU-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346158 792603810 /nfs/dbraw/zinc/60/38/10/792603810.db2.gz TZSZJGBRBZZSHS-NFOMZHRRSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100383014 792621419 /nfs/dbraw/zinc/62/14/19/792621419.db2.gz HNRJXIDYMLGOAB-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418801 792638206 /nfs/dbraw/zinc/63/82/06/792638206.db2.gz GRXLFAKUWXWUFQ-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418800 792638721 /nfs/dbraw/zinc/63/87/21/792638721.db2.gz GRXLFAKUWXWUFQ-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430856 792916240 /nfs/dbraw/zinc/91/62/40/792916240.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430856 792916245 /nfs/dbraw/zinc/91/62/45/792916245.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430856 792916251 /nfs/dbraw/zinc/91/62/51/792916251.db2.gz XVXREKTZKUVTDL-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP COCCC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001172254238 793391898 /nfs/dbraw/zinc/39/18/98/793391898.db2.gz IYSYHGLSQVTMIL-UHFFFAOYSA-N 2 1 301.434 2.491 20 30 DEEDMP COCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001172254238 793391906 /nfs/dbraw/zinc/39/19/06/793391906.db2.gz IYSYHGLSQVTMIL-UHFFFAOYSA-N 2 1 301.434 2.491 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374362 794062558 /nfs/dbraw/zinc/06/25/58/794062558.db2.gz CYAHDJGWQAZQRD-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882811 794082338 /nfs/dbraw/zinc/08/23/38/794082338.db2.gz XNQVEIABMWPJEN-ZWKOTPCHSA-N 2 1 321.509 2.396 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176583706 794450509 /nfs/dbraw/zinc/45/05/09/794450509.db2.gz TWWNULMIZXQJDC-CYBMUJFWSA-N 2 1 312.845 2.209 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779147 794478325 /nfs/dbraw/zinc/47/83/25/794478325.db2.gz WUEINMFFEMEWGF-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2C)C1 ZINC001111984796 794540993 /nfs/dbraw/zinc/54/09/93/794540993.db2.gz PCNWRJXSFYWSEF-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984796 794540996 /nfs/dbraw/zinc/54/09/96/794540996.db2.gz PCNWRJXSFYWSEF-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984796 794540998 /nfs/dbraw/zinc/54/09/98/794540998.db2.gz PCNWRJXSFYWSEF-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnc[nH]1)C2 ZINC001112386801 794618401 /nfs/dbraw/zinc/61/84/01/794618401.db2.gz NVOLAWLMLPFQEW-YJBOKZPZSA-N 2 1 316.449 2.137 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305597 794729388 /nfs/dbraw/zinc/72/93/88/794729388.db2.gz ADEYVRKGTSQIOH-VSZNYVQBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536628 794813898 /nfs/dbraw/zinc/81/38/98/794813898.db2.gz AIPVHGOJKGCJOD-IAGOWNOFSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729932 794899616 /nfs/dbraw/zinc/89/96/16/794899616.db2.gz YJVTWGSWSFBBHG-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337496 795102325 /nfs/dbraw/zinc/10/23/25/795102325.db2.gz OYLDDKQFUQHGTH-QZWWFDLISA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788175 795176271 /nfs/dbraw/zinc/17/62/71/795176271.db2.gz PPCISGKUKLKWIP-SJORKVTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180121109 795244523 /nfs/dbraw/zinc/24/45/23/795244523.db2.gz IIUGTWXHFDABMH-UHFFFAOYSA-N 2 1 303.878 2.347 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440902 795461320 /nfs/dbraw/zinc/46/13/20/795461320.db2.gz UXJMUOQBGQOBES-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121295154 795612667 /nfs/dbraw/zinc/61/26/67/795612667.db2.gz SHEUIOFVKSXRPS-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183509472 795883357 /nfs/dbraw/zinc/88/33/57/795883357.db2.gz HZWVEKRSOXFSGK-SJLPKXTDSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185090827 796179235 /nfs/dbraw/zinc/17/92/35/796179235.db2.gz NSWAFOWLHMCEKN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185749540 796310021 /nfs/dbraw/zinc/31/00/21/796310021.db2.gz CJMWQCZGFVMIFT-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044495 796535145 /nfs/dbraw/zinc/53/51/45/796535145.db2.gz KOMVNPJTTGNXSQ-HOTGVXAUSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001141569219 796677266 /nfs/dbraw/zinc/67/72/66/796677266.db2.gz CMPQYOJMVILGCO-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189913684 796902596 /nfs/dbraw/zinc/90/25/96/796902596.db2.gz VSWZQRXSBNALHW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913684 796902599 /nfs/dbraw/zinc/90/25/99/796902599.db2.gz VSWZQRXSBNALHW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913684 796902601 /nfs/dbraw/zinc/90/26/01/796902601.db2.gz VSWZQRXSBNALHW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742185 797067513 /nfs/dbraw/zinc/06/75/13/797067513.db2.gz BNAZBMNSBNMIOF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190742185 797067520 /nfs/dbraw/zinc/06/75/20/797067520.db2.gz BNAZBMNSBNMIOF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190742185 797067526 /nfs/dbraw/zinc/06/75/26/797067526.db2.gz BNAZBMNSBNMIOF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050324 797135201 /nfs/dbraw/zinc/13/52/01/797135201.db2.gz HBJDHAUHGZJUBU-KRWDZBQOSA-N 2 1 316.449 2.017 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019232 797305664 /nfs/dbraw/zinc/30/56/64/797305664.db2.gz VRSZPKOCFWELKD-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876023 797630972 /nfs/dbraw/zinc/63/09/72/797630972.db2.gz JGYWEZKPBKUOFU-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876023 797630974 /nfs/dbraw/zinc/63/09/74/797630974.db2.gz JGYWEZKPBKUOFU-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888256 797633658 /nfs/dbraw/zinc/63/36/58/797633658.db2.gz MBJNHHJCGPQZHO-CQSZACIVSA-N 2 1 307.438 2.358 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001810 797668013 /nfs/dbraw/zinc/66/80/13/797668013.db2.gz KVEICPVOYAHQOG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001810 797668016 /nfs/dbraw/zinc/66/80/16/797668016.db2.gz KVEICPVOYAHQOG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001810 797668018 /nfs/dbraw/zinc/66/80/18/797668018.db2.gz KVEICPVOYAHQOG-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396747 798181166 /nfs/dbraw/zinc/18/11/66/798181166.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396747 798181170 /nfs/dbraw/zinc/18/11/70/798181170.db2.gz MODNROKZXWBHPD-HOTGVXAUSA-N 2 1 318.465 2.477 20 30 DEEDMP C#CC[N@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794157 798239200 /nfs/dbraw/zinc/23/92/00/798239200.db2.gz HMOHQLANWYVSMB-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C#CC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794157 798239204 /nfs/dbraw/zinc/23/92/04/798239204.db2.gz HMOHQLANWYVSMB-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197823548 798249899 /nfs/dbraw/zinc/24/98/99/798249899.db2.gz BPFYKCFYLORDHW-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186122 798355957 /nfs/dbraw/zinc/35/59/57/798355957.db2.gz NXKCLAYWHJSVHT-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466466 798692352 /nfs/dbraw/zinc/69/23/52/798692352.db2.gz DNHVOVIAYWGAPB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466466 798692354 /nfs/dbraw/zinc/69/23/54/798692354.db2.gz DNHVOVIAYWGAPB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466466 798692358 /nfs/dbraw/zinc/69/23/58/798692358.db2.gz DNHVOVIAYWGAPB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160682552 798721866 /nfs/dbraw/zinc/72/18/66/798721866.db2.gz DRIKEDLYUCNQNB-UHFFFAOYSA-N 2 1 322.412 2.110 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001201818537 798801062 /nfs/dbraw/zinc/80/10/62/798801062.db2.gz OWRFOWJVRSXUJE-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230903 798814162 /nfs/dbraw/zinc/81/41/62/798814162.db2.gz LXJLPNXWXNDXBG-HNNXBMFYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161230903 798814166 /nfs/dbraw/zinc/81/41/66/798814166.db2.gz LXJLPNXWXNDXBG-HNNXBMFYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161758950 798931470 /nfs/dbraw/zinc/93/14/70/798931470.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161758950 798931473 /nfs/dbraw/zinc/93/14/73/798931473.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161758950 798931475 /nfs/dbraw/zinc/93/14/75/798931475.db2.gz VKVCKRLBXFZSCX-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202714638 799370203 /nfs/dbraw/zinc/37/02/03/799370203.db2.gz IVTMRUXWOYRYSN-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001095439022 799596373 /nfs/dbraw/zinc/59/63/73/799596373.db2.gz XFUPRCGNWXWRAC-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095439022 799596376 /nfs/dbraw/zinc/59/63/76/799596376.db2.gz XFUPRCGNWXWRAC-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001095439022 799596379 /nfs/dbraw/zinc/59/63/79/799596379.db2.gz XFUPRCGNWXWRAC-MTSZKFMLSA-N 2 1 305.466 2.014 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926837 799796661 /nfs/dbraw/zinc/79/66/61/799796661.db2.gz GNNMHXPMFJPQOI-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018114 799833296 /nfs/dbraw/zinc/83/32/96/799833296.db2.gz JWJOHVJKMSUALP-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843092 799961919 /nfs/dbraw/zinc/96/19/19/799961919.db2.gz PZBNTJYWJYGIRD-HOTGVXAUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518608 800366278 /nfs/dbraw/zinc/36/62/78/800366278.db2.gz DKOFYPYNMMZVSH-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200082 800488674 /nfs/dbraw/zinc/48/86/74/800488674.db2.gz QBDTXQJSGCETRA-JKSUJKDBSA-N 2 1 300.381 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206275714 800501444 /nfs/dbraw/zinc/50/14/44/800501444.db2.gz ZHAGYSRDRJIOPB-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206488682 800542246 /nfs/dbraw/zinc/54/22/46/800542246.db2.gz WZZIBJSEHXIHIO-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206871412 800611351 /nfs/dbraw/zinc/61/13/51/800611351.db2.gz KRWUOJGBGWWBEX-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101107 800718130 /nfs/dbraw/zinc/71/81/30/800718130.db2.gz LTTIQDLEJVJFOL-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101107 800718132 /nfs/dbraw/zinc/71/81/32/800718132.db2.gz LTTIQDLEJVJFOL-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005066 800889238 /nfs/dbraw/zinc/88/92/38/800889238.db2.gz RGRKEDLHSBPEFM-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005066 800889246 /nfs/dbraw/zinc/88/92/46/800889246.db2.gz RGRKEDLHSBPEFM-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCC)C1 ZINC001208356666 800964526 /nfs/dbraw/zinc/96/45/26/800964526.db2.gz YGFJGJZKVTUQDE-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCC)C1 ZINC001208356666 800964531 /nfs/dbraw/zinc/96/45/31/800964531.db2.gz YGFJGJZKVTUQDE-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH]cnc32)CC1 ZINC001229138578 801228902 /nfs/dbraw/zinc/22/89/02/801228902.db2.gz BJRCKSDTMRTVPR-HNNXBMFYSA-N 2 1 316.449 2.376 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359952 801392844 /nfs/dbraw/zinc/39/28/44/801392844.db2.gz MHWBRMOMPRYBMB-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211374997 801556490 /nfs/dbraw/zinc/55/64/90/801556490.db2.gz VKGSMKRUYVYXMB-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231216660 801608822 /nfs/dbraw/zinc/60/88/22/801608822.db2.gz MOXMPGFQEWIFNG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231216660 801608825 /nfs/dbraw/zinc/60/88/25/801608825.db2.gz MOXMPGFQEWIFNG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231216660 801608829 /nfs/dbraw/zinc/60/88/29/801608829.db2.gz MOXMPGFQEWIFNG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3O)CC2)cc[nH+]1 ZINC001233388067 802103581 /nfs/dbraw/zinc/10/35/81/802103581.db2.gz KFIGMVQHJSIDEZ-UHFFFAOYSA-N 2 1 308.385 2.290 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346168 802358453 /nfs/dbraw/zinc/35/84/53/802358453.db2.gz QQUOEXZBKZMLCS-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346168 802358458 /nfs/dbraw/zinc/35/84/58/802358458.db2.gz QQUOEXZBKZMLCS-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234642793 802439549 /nfs/dbraw/zinc/43/95/49/802439549.db2.gz KWWOPERXFYTIKG-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620808 802598793 /nfs/dbraw/zinc/59/87/93/802598793.db2.gz ZJCBEDDVKSAIDE-LZLYRXPVSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620808 802598796 /nfs/dbraw/zinc/59/87/96/802598796.db2.gz ZJCBEDDVKSAIDE-LZLYRXPVSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620808 802598800 /nfs/dbraw/zinc/59/88/00/802598800.db2.gz ZJCBEDDVKSAIDE-LZLYRXPVSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221627708 802599018 /nfs/dbraw/zinc/59/90/18/802599018.db2.gz SQPWHWJHSSSLTO-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627708 802599023 /nfs/dbraw/zinc/59/90/23/802599023.db2.gz SQPWHWJHSSSLTO-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221627708 802599027 /nfs/dbraw/zinc/59/90/27/802599027.db2.gz SQPWHWJHSSSLTO-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053426 802635669 /nfs/dbraw/zinc/63/56/69/802635669.db2.gz PSPWAJFASHJFHD-BRWVUGGUSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053426 802635673 /nfs/dbraw/zinc/63/56/73/802635673.db2.gz PSPWAJFASHJFHD-BRWVUGGUSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053426 802635677 /nfs/dbraw/zinc/63/56/77/802635677.db2.gz PSPWAJFASHJFHD-BRWVUGGUSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223838822 802818976 /nfs/dbraw/zinc/81/89/76/802818976.db2.gz LDOXUQJBCJEZSH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223838822 802818982 /nfs/dbraw/zinc/81/89/82/802818982.db2.gz LDOXUQJBCJEZSH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223838822 802818985 /nfs/dbraw/zinc/81/89/85/802818985.db2.gz LDOXUQJBCJEZSH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224883724 802914355 /nfs/dbraw/zinc/91/43/55/802914355.db2.gz GOYSQKIPYXDBDL-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227816589 803284185 /nfs/dbraw/zinc/28/41/85/803284185.db2.gz FTJUZELNNSUDII-MRXNPFEDSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331318425 1149419088 /nfs/dbraw/zinc/41/90/88/1149419088.db2.gz KZEOYSKEMLNICV-XIRDDKMYSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001328684536 1148824032 /nfs/dbraw/zinc/82/40/32/1148824032.db2.gz ZNNRXIIGMYJIBA-KZNAEPCWSA-N 2 1 313.445 2.029 20 30 DEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611659 1058192488 /nfs/dbraw/zinc/19/24/88/1058192488.db2.gz SPFPPPOSLYMXBK-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611659 1058192492 /nfs/dbraw/zinc/19/24/92/1058192492.db2.gz SPFPPPOSLYMXBK-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611659 1058192498 /nfs/dbraw/zinc/19/24/98/1058192498.db2.gz SPFPPPOSLYMXBK-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459611659 1058192501 /nfs/dbraw/zinc/19/25/01/1058192501.db2.gz SPFPPPOSLYMXBK-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001500495403 1058853709 /nfs/dbraw/zinc/85/37/09/1058853709.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495403 1058853730 /nfs/dbraw/zinc/85/37/30/1058853730.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495403 1058853749 /nfs/dbraw/zinc/85/37/49/1058853749.db2.gz DKUMMLQNWNMXON-PKOBYXMFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500547104 1058915116 /nfs/dbraw/zinc/91/51/16/1058915116.db2.gz ODKHAIVPFBGWPM-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500547104 1058915134 /nfs/dbraw/zinc/91/51/34/1058915134.db2.gz ODKHAIVPFBGWPM-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500547104 1058915145 /nfs/dbraw/zinc/91/51/45/1058915145.db2.gz ODKHAIVPFBGWPM-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001501172213 1059348125 /nfs/dbraw/zinc/34/81/25/1059348125.db2.gz RSGCBJBBFDJHQE-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501172213 1059348150 /nfs/dbraw/zinc/34/81/50/1059348150.db2.gz RSGCBJBBFDJHQE-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001501172213 1059348176 /nfs/dbraw/zinc/34/81/76/1059348176.db2.gz RSGCBJBBFDJHQE-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001503024115 1060425354 /nfs/dbraw/zinc/42/53/54/1060425354.db2.gz SUCYLLXAKUZWIU-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001505473848 1060643675 /nfs/dbraw/zinc/64/36/75/1060643675.db2.gz ZCTIIOKUJIDGSX-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473848 1060643680 /nfs/dbraw/zinc/64/36/80/1060643680.db2.gz ZCTIIOKUJIDGSX-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473848 1060643687 /nfs/dbraw/zinc/64/36/87/1060643687.db2.gz ZCTIIOKUJIDGSX-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001479981323 1062143864 /nfs/dbraw/zinc/14/38/64/1062143864.db2.gz OJXNPXDFMIURAU-BRWVUGGUSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581661 1062157475 /nfs/dbraw/zinc/15/74/75/1062157475.db2.gz YDZFHULJQFEFJU-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001480143676 1062383581 /nfs/dbraw/zinc/38/35/81/1062383581.db2.gz IJZTWRONWMDSMF-QBPKDAKJSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001506885419 1062471084 /nfs/dbraw/zinc/47/10/84/1062471084.db2.gz PJUICBREGKVWPU-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001480359150 1062712183 /nfs/dbraw/zinc/71/21/83/1062712183.db2.gz OFHHYGLRDBOFLZ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480381523 1062761464 /nfs/dbraw/zinc/76/14/64/1062761464.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381523 1062761480 /nfs/dbraw/zinc/76/14/80/1062761480.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381523 1062761501 /nfs/dbraw/zinc/76/15/01/1062761501.db2.gz CTPPQZKNBMKCAO-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001507386508 1063207918 /nfs/dbraw/zinc/20/79/18/1063207918.db2.gz LZSIESDYPVKJER-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507961242 1063478897 /nfs/dbraw/zinc/47/88/97/1063478897.db2.gz IJHASMIEKYTSGO-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567496520 1064224499 /nfs/dbraw/zinc/22/44/99/1064224499.db2.gz NYNRVBWFOLILSE-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567701243 1064358755 /nfs/dbraw/zinc/35/87/55/1064358755.db2.gz FOIGUHIBRHGCIJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567701243 1064358762 /nfs/dbraw/zinc/35/87/62/1064358762.db2.gz FOIGUHIBRHGCIJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567701243 1064358773 /nfs/dbraw/zinc/35/87/73/1064358773.db2.gz FOIGUHIBRHGCIJ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701331 1064359391 /nfs/dbraw/zinc/35/93/91/1064359391.db2.gz HFQIMTGOIMAABW-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567701331 1064359401 /nfs/dbraw/zinc/35/94/01/1064359401.db2.gz HFQIMTGOIMAABW-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567701331 1064359411 /nfs/dbraw/zinc/35/94/11/1064359411.db2.gz HFQIMTGOIMAABW-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CCc2cncn2C)CC1 ZINC001567752068 1064403273 /nfs/dbraw/zinc/40/32/73/1064403273.db2.gz DBXHECLFKZRWDN-UHFFFAOYSA-N 2 1 318.465 2.099 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567775243 1064414653 /nfs/dbraw/zinc/41/46/53/1064414653.db2.gz YPTLTVOXNCWYGX-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001567818958 1064441176 /nfs/dbraw/zinc/44/11/76/1064441176.db2.gz VRZJBWMMIVJOFI-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001567818958 1064441182 /nfs/dbraw/zinc/44/11/82/1064441182.db2.gz VRZJBWMMIVJOFI-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001494739148 1064444302 /nfs/dbraw/zinc/44/43/02/1064444302.db2.gz BVIYTISIAYJUMI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914758 1064512726 /nfs/dbraw/zinc/51/27/26/1064512726.db2.gz GSCQAAWNTSNDPM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914758 1064512740 /nfs/dbraw/zinc/51/27/40/1064512740.db2.gz GSCQAAWNTSNDPM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914758 1064512754 /nfs/dbraw/zinc/51/27/54/1064512754.db2.gz GSCQAAWNTSNDPM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001494854205 1064515995 /nfs/dbraw/zinc/51/59/95/1064515995.db2.gz WQYPQADPPQMHLI-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001568114808 1064653772 /nfs/dbraw/zinc/65/37/72/1064653772.db2.gz PDVDPVQFZQXERX-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568274389 1064746671 /nfs/dbraw/zinc/74/66/71/1064746671.db2.gz UYJUPEMYWOGXHJ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001568357837 1064801855 /nfs/dbraw/zinc/80/18/55/1064801855.db2.gz MKRRVLMMTINCJE-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001568357839 1064802399 /nfs/dbraw/zinc/80/23/99/1064802399.db2.gz MKRRVLMMTINCJE-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001568537629 1064947780 /nfs/dbraw/zinc/94/77/80/1064947780.db2.gz SOQZBFGHHJGDFD-LSDHHAIUSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001569340614 1065440140 /nfs/dbraw/zinc/44/01/40/1065440140.db2.gz OUOBBIJFPPSLFV-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001569801836 1065726559 /nfs/dbraw/zinc/72/65/59/1065726559.db2.gz IXDIFSJSXXJSHQ-ZWKOTPCHSA-N 2 1 315.461 2.276 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001569819522 1065740029 /nfs/dbraw/zinc/74/00/29/1065740029.db2.gz ASCHKQREHGZZOM-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001570274526 1066000785 /nfs/dbraw/zinc/00/07/85/1066000785.db2.gz FPGWMDQVXYHPNH-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001570274526 1066000798 /nfs/dbraw/zinc/00/07/98/1066000798.db2.gz FPGWMDQVXYHPNH-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001570274526 1066000806 /nfs/dbraw/zinc/00/08/06/1066000806.db2.gz FPGWMDQVXYHPNH-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001570275361 1066001431 /nfs/dbraw/zinc/00/14/31/1066001431.db2.gz VENORMLFIHNQQM-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339647 1079549476 /nfs/dbraw/zinc/54/94/76/1079549476.db2.gz YXEQGVCJCSSUFM-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001499530011 1067248362 /nfs/dbraw/zinc/24/83/62/1067248362.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001499530011 1067248366 /nfs/dbraw/zinc/24/83/66/1067248366.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001499530011 1067248374 /nfs/dbraw/zinc/24/83/74/1067248374.db2.gz CCFWNCKWDZUJOU-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001267131927 1078604728 /nfs/dbraw/zinc/60/47/28/1078604728.db2.gz KLCQNZGZBUYHGZ-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001267131927 1078604733 /nfs/dbraw/zinc/60/47/33/1078604733.db2.gz KLCQNZGZBUYHGZ-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001267144574 1078611334 /nfs/dbraw/zinc/61/13/34/1078611334.db2.gz AZFFBFQAXZOVEC-NXHRZFHOSA-N 2 1 315.461 2.002 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267181789 1078645867 /nfs/dbraw/zinc/64/58/67/1078645867.db2.gz NNMOHPZXNCBGQK-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181789 1078645870 /nfs/dbraw/zinc/64/58/70/1078645870.db2.gz NNMOHPZXNCBGQK-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181789 1078645874 /nfs/dbraw/zinc/64/58/74/1078645874.db2.gz NNMOHPZXNCBGQK-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267282208 1078728688 /nfs/dbraw/zinc/72/86/88/1078728688.db2.gz BUBGFRDZTIATCP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267293141 1078739520 /nfs/dbraw/zinc/73/95/20/1078739520.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267293141 1078739525 /nfs/dbraw/zinc/73/95/25/1078739525.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267293141 1078739529 /nfs/dbraw/zinc/73/95/29/1078739529.db2.gz MNMHDLRKPWFTAK-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001574872059 1069283029 /nfs/dbraw/zinc/28/30/29/1069283029.db2.gz CRFQYACPKIEGKT-JZXOWHBKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[C@]1(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCC[NH2+]1 ZINC001574888471 1069286535 /nfs/dbraw/zinc/28/65/35/1069286535.db2.gz FPIKFVWSSZSPTD-GOSISDBHSA-N 2 1 319.449 2.258 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC001574902744 1069290829 /nfs/dbraw/zinc/29/08/29/1069290829.db2.gz FGFJRPUPHRKNNH-ZWKOTPCHSA-N 2 1 315.461 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267562990 1078996135 /nfs/dbraw/zinc/99/61/35/1078996135.db2.gz PODVRHMACMQZRY-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/CC ZINC001483932973 1079193967 /nfs/dbraw/zinc/19/39/67/1079193967.db2.gz BDIPHHPZQLZRJX-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/CC ZINC001483932973 1079193970 /nfs/dbraw/zinc/19/39/70/1079193970.db2.gz BDIPHHPZQLZRJX-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484122044 1079312653 /nfs/dbraw/zinc/31/26/53/1079312653.db2.gz OSXIDLOQXYOBHZ-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001484147725 1079324447 /nfs/dbraw/zinc/32/44/47/1079324447.db2.gz XCAIBQHCRJSJED-CALCHBBNSA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647231106 1074850645 /nfs/dbraw/zinc/85/06/45/1074850645.db2.gz IXIHXIFCIFRAPR-IRXDYDNUSA-N 2 1 314.433 2.349 20 30 DEEDMP C=CCCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567818093 1075096290 /nfs/dbraw/zinc/09/62/90/1075096290.db2.gz CFVWMOQKIPVXKX-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668882 1075311080 /nfs/dbraw/zinc/31/10/80/1075311080.db2.gz DONULDRSMZJNJJ-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001566987121 1075409189 /nfs/dbraw/zinc/40/91/89/1075409189.db2.gz LMJZOWKMHRFJAZ-AOCRQIFASA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267757578 1079459271 /nfs/dbraw/zinc/45/92/71/1079459271.db2.gz AUJUVYVFUHTEQW-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267757578 1079459275 /nfs/dbraw/zinc/45/92/75/1079459275.db2.gz AUJUVYVFUHTEQW-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401092 1079591781 /nfs/dbraw/zinc/59/17/81/1079591781.db2.gz FXQCDNQSEBJPPX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001484582632 1079670708 /nfs/dbraw/zinc/67/07/08/1079670708.db2.gz VVABTCMNAGHWTE-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001484765207 1079776270 /nfs/dbraw/zinc/77/62/70/1079776270.db2.gz YNELYVILCIUZAZ-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001484772235 1079787996 /nfs/dbraw/zinc/78/79/96/1079787996.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772235 1079788002 /nfs/dbraw/zinc/78/80/02/1079788002.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772235 1079788008 /nfs/dbraw/zinc/78/80/08/1079788008.db2.gz ORIKTOSKFUTHHR-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279288717 1080190778 /nfs/dbraw/zinc/19/07/78/1080190778.db2.gz LYSWOWMCDGRIKE-KZNAEPCWSA-N 2 1 321.509 2.417 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568569 1080301804 /nfs/dbraw/zinc/30/18/04/1080301804.db2.gz CUIHIPOLHQFUQW-CABCVRRESA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568569 1080301811 /nfs/dbraw/zinc/30/18/11/1080301811.db2.gz CUIHIPOLHQFUQW-CABCVRRESA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481694270 1080305871 /nfs/dbraw/zinc/30/58/71/1080305871.db2.gz BIGRSTJETUJVDQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)C)C1 ZINC001485686226 1080368439 /nfs/dbraw/zinc/36/84/39/1080368439.db2.gz MEWGEOOFTWTTCI-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)C)C1 ZINC001485686226 1080368442 /nfs/dbraw/zinc/36/84/42/1080368442.db2.gz MEWGEOOFTWTTCI-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774274 1080489748 /nfs/dbraw/zinc/48/97/48/1080489748.db2.gz BCTKSKHSQHRKRZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662791500 1080656893 /nfs/dbraw/zinc/65/68/93/1080656893.db2.gz PTYWGYNYQKJAPC-HOTGVXAUSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872730 1080671162 /nfs/dbraw/zinc/67/11/62/1080671162.db2.gz RUGVVNBXWFOQMH-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872730 1080671165 /nfs/dbraw/zinc/67/11/65/1080671165.db2.gz RUGVVNBXWFOQMH-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001482070737 1080776869 /nfs/dbraw/zinc/77/68/69/1080776869.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001482070737 1080776877 /nfs/dbraw/zinc/77/68/77/1080776877.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001482070737 1080776888 /nfs/dbraw/zinc/77/68/88/1080776888.db2.gz KMHUXDGXDGCWCX-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001664858807 1080973523 /nfs/dbraw/zinc/97/35/23/1080973523.db2.gz LTKKEZBJCIXRGL-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001665200010 1080999754 /nfs/dbraw/zinc/99/97/54/1080999754.db2.gz HUPWDPIBPKHKJU-WBVHZDCISA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001665200010 1080999762 /nfs/dbraw/zinc/99/97/62/1080999762.db2.gz HUPWDPIBPKHKJU-WBVHZDCISA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665283901 1081009238 /nfs/dbraw/zinc/00/92/38/1081009238.db2.gz LTQPUVKAZZOQJC-AWEZNQCLSA-N 2 1 304.438 2.021 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268988054 1081076809 /nfs/dbraw/zinc/07/68/09/1081076809.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 2 1 307.482 2.194 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268988054 1081076815 /nfs/dbraw/zinc/07/68/15/1081076815.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 2 1 307.482 2.194 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268988054 1081076821 /nfs/dbraw/zinc/07/68/21/1081076821.db2.gz KPHGUZJJPCNAKO-IKGGRYGDSA-N 2 1 307.482 2.194 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001666425391 1081151722 /nfs/dbraw/zinc/15/17/22/1081151722.db2.gz ZRJHEGSFVYIVGK-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269239985 1081179805 /nfs/dbraw/zinc/17/98/05/1081179805.db2.gz GFKPLMDCSMDPGX-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269239985 1081179809 /nfs/dbraw/zinc/17/98/09/1081179809.db2.gz GFKPLMDCSMDPGX-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269239985 1081179811 /nfs/dbraw/zinc/17/98/11/1081179811.db2.gz GFKPLMDCSMDPGX-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001666767473 1081180045 /nfs/dbraw/zinc/18/00/45/1081180045.db2.gz HFNRMSLKBJEVFJ-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001666767474 1081180206 /nfs/dbraw/zinc/18/02/06/1081180206.db2.gz HFNRMSLKBJEVFJ-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859057 1081384576 /nfs/dbraw/zinc/38/45/76/1081384576.db2.gz LBJMWTSBVUULGA-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC=C(C)C)CC1 ZINC001269991390 1081420215 /nfs/dbraw/zinc/42/02/15/1081420215.db2.gz KZEQBBAPSHVZQJ-BZSNNMDCSA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC=C(C)C)CC1 ZINC001269991390 1081420219 /nfs/dbraw/zinc/42/02/19/1081420219.db2.gz KZEQBBAPSHVZQJ-BZSNNMDCSA-N 2 1 317.477 2.067 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001270050916 1081438650 /nfs/dbraw/zinc/43/86/50/1081438650.db2.gz RKBRWAUDYLLUGE-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001671916104 1081549762 /nfs/dbraw/zinc/54/97/62/1081549762.db2.gz FABNCHXPROIXDL-SFHVURJKSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC001672355988 1081586452 /nfs/dbraw/zinc/58/64/52/1081586452.db2.gz MTXLXGBSPRFDCD-HSFUPAIVSA-N 2 1 319.493 2.404 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001482406144 1081797228 /nfs/dbraw/zinc/79/72/28/1081797228.db2.gz NYSVQHQOPFFFIF-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001482405711 1081797580 /nfs/dbraw/zinc/79/75/80/1081797580.db2.gz GCMOUJCPMJKLPO-KBAYOESNSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001270987008 1081867130 /nfs/dbraw/zinc/86/71/30/1081867130.db2.gz NMQINGLAGWZMFT-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001674480267 1081879167 /nfs/dbraw/zinc/87/91/67/1081879167.db2.gz FOWCPLBPMGAHQN-IAGOWNOFSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001271287146 1082005417 /nfs/dbraw/zinc/00/54/17/1082005417.db2.gz ZAZPXNNXOSUMDO-ROUUACIJSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CCCCC1 ZINC001271342036 1082016210 /nfs/dbraw/zinc/01/62/10/1082016210.db2.gz VCMBSTGDPOKIRZ-KRWDZBQOSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001482506532 1082128507 /nfs/dbraw/zinc/12/85/07/1082128507.db2.gz CDJOPOOMVAMQSA-SFHVURJKSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768036 1082331690 /nfs/dbraw/zinc/33/16/90/1082331690.db2.gz WRGJPWHWNYGOAX-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266859952 1082403615 /nfs/dbraw/zinc/40/36/15/1082403615.db2.gz UCLWBFSFTKMCIP-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266859952 1082403618 /nfs/dbraw/zinc/40/36/18/1082403618.db2.gz UCLWBFSFTKMCIP-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893559 1082435859 /nfs/dbraw/zinc/43/58/59/1082435859.db2.gz CMJAZVSCHWTKEQ-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051711 1082663723 /nfs/dbraw/zinc/66/37/23/1082663723.db2.gz XCLUFWLZGALBLQ-ZEVQVBBLSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053738 /nfs/dbraw/zinc/05/37/38/1083053738.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053740 /nfs/dbraw/zinc/05/37/40/1083053740.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@@H]21 ZINC001496862294 1083053743 /nfs/dbraw/zinc/05/37/43/1083053743.db2.gz IWPVJWOHCWAXQI-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001276439857 1083434332 /nfs/dbraw/zinc/43/43/32/1083434332.db2.gz LTINILGAZWFNKH-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001276601433 1083510178 /nfs/dbraw/zinc/51/01/78/1083510178.db2.gz OBTANKGDLMHFSE-HNNXBMFYSA-N 2 1 304.438 2.066 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609176 1083512682 /nfs/dbraw/zinc/51/26/82/1083512682.db2.gz VKNBSGAZSQXLJS-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609176 1083512692 /nfs/dbraw/zinc/51/26/92/1083512692.db2.gz VKNBSGAZSQXLJS-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001276609176 1083512703 /nfs/dbraw/zinc/51/27/03/1083512703.db2.gz VKNBSGAZSQXLJS-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632322 1083525034 /nfs/dbraw/zinc/52/50/34/1083525034.db2.gz DGRQQECAMYCAEA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001276839508 1083640761 /nfs/dbraw/zinc/64/07/61/1083640761.db2.gz JPUQZFVSWHEPKU-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841770 1083642078 /nfs/dbraw/zinc/64/20/78/1083642078.db2.gz YFTDZVKESXMMRU-YESZJQIVSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841770 1083642084 /nfs/dbraw/zinc/64/20/84/1083642084.db2.gz YFTDZVKESXMMRU-YESZJQIVSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841770 1083642089 /nfs/dbraw/zinc/64/20/89/1083642089.db2.gz YFTDZVKESXMMRU-YESZJQIVSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001276906851 1083672697 /nfs/dbraw/zinc/67/26/97/1083672697.db2.gz YYVVTEZLCQXNMQ-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001491046839 1084028588 /nfs/dbraw/zinc/02/85/88/1084028588.db2.gz ADOBUFMHVXXOCL-HMDCTGQHSA-N 2 1 307.482 2.308 20 30 DEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CC(F)F)CC3)cc1C#N ZINC001277645573 1084073626 /nfs/dbraw/zinc/07/36/26/1084073626.db2.gz RWZUNMZOGGWKMS-UHFFFAOYSA-N 2 1 322.403 2.450 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001491132936 1084103696 /nfs/dbraw/zinc/10/36/96/1084103696.db2.gz HUPKTDXZVVGWPX-GOSISDBHSA-N 2 1 319.493 2.104 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCC ZINC001235472543 1084442083 /nfs/dbraw/zinc/44/20/83/1084442083.db2.gz SONPUHVTKFVCHP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCC ZINC001235472543 1084442087 /nfs/dbraw/zinc/44/20/87/1084442087.db2.gz SONPUHVTKFVCHP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCC ZINC001235472543 1084442092 /nfs/dbraw/zinc/44/20/92/1084442092.db2.gz SONPUHVTKFVCHP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCCC ZINC001235472543 1084442094 /nfs/dbraw/zinc/44/20/94/1084442094.db2.gz SONPUHVTKFVCHP-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001486166795 1085101687 /nfs/dbraw/zinc/10/16/87/1085101687.db2.gz NLQCKFTUVRDLJJ-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)s1 ZINC001413091174 1085916372 /nfs/dbraw/zinc/91/63/72/1085916372.db2.gz RHIKWNFDIDPPPV-UHFFFAOYSA-N 2 1 319.474 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961944067 1085917561 /nfs/dbraw/zinc/91/75/61/1085917561.db2.gz ZKGJSSYNJCIDGC-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961944067 1085917569 /nfs/dbraw/zinc/91/75/69/1085917569.db2.gz ZKGJSSYNJCIDGC-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315769 1086404983 /nfs/dbraw/zinc/40/49/83/1086404983.db2.gz YMKRXIRCSFUKBP-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001273146365 1086998696 /nfs/dbraw/zinc/99/86/96/1086998696.db2.gz KUGDTESPJXZSNN-UHFFFAOYSA-N 2 1 317.477 2.258 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957516766 1088369669 /nfs/dbraw/zinc/36/96/69/1088369669.db2.gz BOJZPADNAJCVHK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001080135301 1088644515 /nfs/dbraw/zinc/64/45/15/1088644515.db2.gz ZSZLNLKKCWHKHG-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114832039 1088919551 /nfs/dbraw/zinc/91/95/51/1088919551.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832039 1088919568 /nfs/dbraw/zinc/91/95/68/1088919568.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832039 1088919582 /nfs/dbraw/zinc/91/95/82/1088919582.db2.gz KNXVXFPECLSOJU-VXNCWWDNSA-N 2 1 319.493 2.264 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114835710 1088962545 /nfs/dbraw/zinc/96/25/45/1088962545.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114835710 1088962561 /nfs/dbraw/zinc/96/25/61/1088962561.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114835710 1088962576 /nfs/dbraw/zinc/96/25/76/1088962576.db2.gz OUQXCKZKJITSLK-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541152 1089034031 /nfs/dbraw/zinc/03/40/31/1089034031.db2.gz HSOLZNARUFGJKK-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541152 1089034048 /nfs/dbraw/zinc/03/40/48/1089034048.db2.gz HSOLZNARUFGJKK-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406450 1090291252 /nfs/dbraw/zinc/29/12/52/1090291252.db2.gz PIXKCIBXFNGEHR-BPQIPLTHSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406450 1090291254 /nfs/dbraw/zinc/29/12/54/1090291254.db2.gz PIXKCIBXFNGEHR-BPQIPLTHSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406450 1090291260 /nfs/dbraw/zinc/29/12/60/1090291260.db2.gz PIXKCIBXFNGEHR-BPQIPLTHSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403010 1090291550 /nfs/dbraw/zinc/29/15/50/1090291550.db2.gz BIJIZEKIHNXVLV-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403010 1090291554 /nfs/dbraw/zinc/29/15/54/1090291554.db2.gz BIJIZEKIHNXVLV-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403010 1090291559 /nfs/dbraw/zinc/29/15/59/1090291559.db2.gz BIJIZEKIHNXVLV-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084475327 1090309322 /nfs/dbraw/zinc/30/93/22/1090309322.db2.gz IXTSLZDBDZNZAO-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084475327 1090309329 /nfs/dbraw/zinc/30/93/29/1090309329.db2.gz IXTSLZDBDZNZAO-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084475327 1090309335 /nfs/dbraw/zinc/30/93/35/1090309335.db2.gz IXTSLZDBDZNZAO-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944956 1090531752 /nfs/dbraw/zinc/53/17/52/1090531752.db2.gz YUOXPMDZXXOPBJ-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944956 1090531758 /nfs/dbraw/zinc/53/17/58/1090531758.db2.gz YUOXPMDZXXOPBJ-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944956 1090531762 /nfs/dbraw/zinc/53/17/62/1090531762.db2.gz YUOXPMDZXXOPBJ-XDNAFOTISA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001274446888 1091250456 /nfs/dbraw/zinc/25/04/56/1091250456.db2.gz SKIQULGUVCWZMZ-HNNXBMFYSA-N 2 1 304.438 2.066 20 30 DEEDMP CSc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807351 /nfs/dbraw/zinc/80/73/51/1091807351.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 2 1 316.474 2.449 20 30 DEEDMP CSc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807359 /nfs/dbraw/zinc/80/73/59/1091807359.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 2 1 316.474 2.449 20 30 DEEDMP CSc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001275499746 1091807366 /nfs/dbraw/zinc/80/73/66/1091807366.db2.gz MBMNFYMVCCWISY-GASCZTMLSA-N 2 1 316.474 2.449 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001006441860 1092119446 /nfs/dbraw/zinc/11/94/46/1092119446.db2.gz GEFQAPFNEMDLML-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006443821 1092169755 /nfs/dbraw/zinc/16/97/55/1092169755.db2.gz ONSZBEHBXHERKZ-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001275851838 1092229343 /nfs/dbraw/zinc/22/93/43/1092229343.db2.gz YNZZBIILJHUDPB-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001275851838 1092229356 /nfs/dbraw/zinc/22/93/56/1092229356.db2.gz YNZZBIILJHUDPB-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)(C)C ZINC001275851838 1092229371 /nfs/dbraw/zinc/22/93/71/1092229371.db2.gz YNZZBIILJHUDPB-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001275851838 1092229381 /nfs/dbraw/zinc/22/93/81/1092229381.db2.gz YNZZBIILJHUDPB-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001489284141 1093003125 /nfs/dbraw/zinc/00/31/25/1093003125.db2.gz RUSPSYGISVJJFO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320236 1093158845 /nfs/dbraw/zinc/15/88/45/1093158845.db2.gz JOSUHCSDIJESOL-QFBILLFUSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163222 1093277699 /nfs/dbraw/zinc/27/76/99/1093277699.db2.gz UDRXZVDKGINXNZ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001490331875 1093318625 /nfs/dbraw/zinc/31/86/25/1093318625.db2.gz YQSORVJPDXFQSE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001490331875 1093318633 /nfs/dbraw/zinc/31/86/33/1093318633.db2.gz YQSORVJPDXFQSE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001490331875 1093318642 /nfs/dbraw/zinc/31/86/42/1093318642.db2.gz YQSORVJPDXFQSE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001490443295 1093360795 /nfs/dbraw/zinc/36/07/95/1093360795.db2.gz YPANJADPWKNASK-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001490443295 1093360802 /nfs/dbraw/zinc/36/08/02/1093360802.db2.gz YPANJADPWKNASK-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001490443295 1093360812 /nfs/dbraw/zinc/36/08/12/1093360812.db2.gz YPANJADPWKNASK-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001490804969 1093611932 /nfs/dbraw/zinc/61/19/32/1093611932.db2.gz FMDJIQIWSMUUPX-ZACQAIPSSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001490804969 1093611942 /nfs/dbraw/zinc/61/19/42/1093611942.db2.gz FMDJIQIWSMUUPX-ZACQAIPSSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001490804969 1093611949 /nfs/dbraw/zinc/61/19/49/1093611949.db2.gz FMDJIQIWSMUUPX-ZACQAIPSSA-N 2 1 307.482 2.357 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732243 1138216084 /nfs/dbraw/zinc/21/60/84/1138216084.db2.gz AZPWBUJURDPFKL-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001691732243 1138216087 /nfs/dbraw/zinc/21/60/87/1138216087.db2.gz AZPWBUJURDPFKL-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001691732243 1138216090 /nfs/dbraw/zinc/21/60/90/1138216090.db2.gz AZPWBUJURDPFKL-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933988 1138460496 /nfs/dbraw/zinc/46/04/96/1138460496.db2.gz BKBADKZCIPMDNN-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278253606 1138859461 /nfs/dbraw/zinc/85/94/61/1138859461.db2.gz XFBZFUJFOPBNCM-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP Cc1[nH+]ccn1-c1cncc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)n1 ZINC001240346445 1139342224 /nfs/dbraw/zinc/34/22/24/1139342224.db2.gz MGJWSGXJROEITO-UHFFFAOYSA-N 2 1 316.368 2.196 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318782882 1140415790 /nfs/dbraw/zinc/41/57/90/1140415790.db2.gz ZHNXSWIJHZSIKA-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001318804827 1140424530 /nfs/dbraw/zinc/42/45/30/1140424530.db2.gz KVWRQEYQTLGHHB-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246004911 1140844665 /nfs/dbraw/zinc/84/46/65/1140844665.db2.gz JOOVGZJHWDEHOV-CVEARBPZSA-N 2 1 300.487 2.455 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[NH2+]C1)[C@H]2CC ZINC001246705576 1141040663 /nfs/dbraw/zinc/04/06/63/1141040663.db2.gz NFJPCHIROFAOII-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[NH2+]C1)[C@H]2CC ZINC001246705576 1141040671 /nfs/dbraw/zinc/04/06/71/1141040671.db2.gz NFJPCHIROFAOII-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP N#CCC[N@@H+]([C@H]1CCNC2(C[NH2+]C2)C1)C1CCCCCCC1 ZINC001246770713 1141054692 /nfs/dbraw/zinc/05/46/92/1141054692.db2.gz ROLNETHVGHYFDQ-KRWDZBQOSA-N 2 1 304.482 2.409 20 30 DEEDMP CCCCCCC[C@H](CC)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246822675 1141075513 /nfs/dbraw/zinc/07/55/13/1141075513.db2.gz SGMMLOVFSGNCAT-SFHVURJKSA-N 2 1 312.546 2.210 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001323287748 1141837494 /nfs/dbraw/zinc/83/74/94/1141837494.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001323287748 1141837497 /nfs/dbraw/zinc/83/74/97/1141837497.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001323287748 1141837498 /nfs/dbraw/zinc/83/74/98/1141837498.db2.gz UHIDDWFEUBTWHA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858127 1141893736 /nfs/dbraw/zinc/89/37/36/1141893736.db2.gz ANESEHDJCVCSLH-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324285812 1142048025 /nfs/dbraw/zinc/04/80/25/1142048025.db2.gz LUDMFCLCDDKPOI-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324285816 1142048337 /nfs/dbraw/zinc/04/83/37/1142048337.db2.gz LUDMFCLCDDKPOI-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001278639865 1142567937 /nfs/dbraw/zinc/56/79/37/1142567937.db2.gz MYTYNQWBVQXOLB-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001278662478 1142693664 /nfs/dbraw/zinc/69/36/64/1142693664.db2.gz CGZYRANESALAND-NVXWUHKLSA-N 2 1 313.461 2.071 20 30 DEEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001341497888 1143615671 /nfs/dbraw/zinc/61/56/71/1143615671.db2.gz SERYBCMOXMUEPE-HNNXBMFYSA-N 2 1 315.421 2.422 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001341716558 1143680660 /nfs/dbraw/zinc/68/06/60/1143680660.db2.gz HXSKQSXGVZABJC-QZTJIDSGSA-N 2 1 315.461 2.403 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751262 1144606039 /nfs/dbraw/zinc/60/60/39/1144606039.db2.gz DPAWKEOQPJWEMO-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265490913 1144706852 /nfs/dbraw/zinc/70/68/52/1144706852.db2.gz MXUBXXZKZPEQID-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265595263 1144716549 /nfs/dbraw/zinc/71/65/49/1144716549.db2.gz VQHKKQBZKVNUFG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595263 1144716550 /nfs/dbraw/zinc/71/65/50/1144716550.db2.gz VQHKKQBZKVNUFG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595263 1144716552 /nfs/dbraw/zinc/71/65/52/1144716552.db2.gz VQHKKQBZKVNUFG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265982159 1144776476 /nfs/dbraw/zinc/77/64/76/1144776476.db2.gz CTTRHVXPQGNUNM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001279231084 1144819590 /nfs/dbraw/zinc/81/95/90/1144819590.db2.gz YGVZYJLFWGAWHN-BJWYYQGGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001279587490 1144825336 /nfs/dbraw/zinc/82/53/36/1144825336.db2.gz MWPFWCQCCZUQOQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001279587490 1144825337 /nfs/dbraw/zinc/82/53/37/1144825337.db2.gz MWPFWCQCCZUQOQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001279587490 1144825338 /nfs/dbraw/zinc/82/53/38/1144825338.db2.gz MWPFWCQCCZUQOQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001280315951 1144835621 /nfs/dbraw/zinc/83/56/21/1144835621.db2.gz USFPDOBREPFZJS-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001280315951 1144835623 /nfs/dbraw/zinc/83/56/23/1144835623.db2.gz USFPDOBREPFZJS-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001280315951 1144835624 /nfs/dbraw/zinc/83/56/24/1144835624.db2.gz USFPDOBREPFZJS-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001280452317 1144840377 /nfs/dbraw/zinc/84/03/77/1144840377.db2.gz XZFJWRCGXAFFQF-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001280507969 1144843075 /nfs/dbraw/zinc/84/30/75/1144843075.db2.gz OCHDRRAOXHOSOW-UHFFFAOYSA-N 2 1 304.438 2.211 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001281830669 1144915758 /nfs/dbraw/zinc/91/57/58/1144915758.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001281830669 1144915760 /nfs/dbraw/zinc/91/57/60/1144915760.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001281830669 1144915762 /nfs/dbraw/zinc/91/57/62/1144915762.db2.gz LDMYRZKVMYBKPA-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001316616282 1144926776 /nfs/dbraw/zinc/92/67/76/1144926776.db2.gz TZSZJGBRBZZSHS-SOUVJXGZSA-N 2 1 304.438 2.067 20 30 DEEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001282640282 1145106464 /nfs/dbraw/zinc/10/64/64/1145106464.db2.gz WCPYMXAIGWUREV-YESZJQIVSA-N 2 1 307.482 2.005 20 30 DEEDMP CCCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001282693787 1145129412 /nfs/dbraw/zinc/12/94/12/1145129412.db2.gz RICGLEWQFVQNKJ-DOTOQJQBSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001284104941 1145800116 /nfs/dbraw/zinc/80/01/16/1145800116.db2.gz ZXIRSEKEZLFZOL-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001284130214 1145804586 /nfs/dbraw/zinc/80/45/86/1145804586.db2.gz GUCRGMQPMLTMDS-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001284130214 1145804587 /nfs/dbraw/zinc/80/45/87/1145804587.db2.gz GUCRGMQPMLTMDS-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001284130214 1145804589 /nfs/dbraw/zinc/80/45/89/1145804589.db2.gz GUCRGMQPMLTMDS-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001284720071 1145894910 /nfs/dbraw/zinc/89/49/10/1145894910.db2.gz VFMDRQMILHOYSK-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154681 1147102273 /nfs/dbraw/zinc/10/22/73/1147102273.db2.gz RJEKYEQLNQXQBK-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317379381 1147365348 /nfs/dbraw/zinc/36/53/48/1147365348.db2.gz NSVAABISDWNCHC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001366655246 1147446230 /nfs/dbraw/zinc/44/62/30/1147446230.db2.gz VPVHRDZINDEWJC-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001366655246 1147446232 /nfs/dbraw/zinc/44/62/32/1147446232.db2.gz VPVHRDZINDEWJC-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366655246 1147446236 /nfs/dbraw/zinc/44/62/36/1147446236.db2.gz VPVHRDZINDEWJC-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366655246 1147446240 /nfs/dbraw/zinc/44/62/40/1147446240.db2.gz VPVHRDZINDEWJC-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCOc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC001308221514 1147456372 /nfs/dbraw/zinc/45/63/72/1147456372.db2.gz BOBALGIPBHILCG-UHFFFAOYSA-N 2 1 304.434 2.188 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316951368 1147637913 /nfs/dbraw/zinc/63/79/13/1147637913.db2.gz JATDNHGVZQUEFS-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317179866 1147672087 /nfs/dbraw/zinc/67/20/87/1147672087.db2.gz YFOOGKJUACAACZ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317179866 1147672088 /nfs/dbraw/zinc/67/20/88/1147672088.db2.gz YFOOGKJUACAACZ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317179866 1147672089 /nfs/dbraw/zinc/67/20/89/1147672089.db2.gz YFOOGKJUACAACZ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317422630 1147704966 /nfs/dbraw/zinc/70/49/66/1147704966.db2.gz HTQISNKBYIOQIM-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422630 1147704968 /nfs/dbraw/zinc/70/49/68/1147704968.db2.gz HTQISNKBYIOQIM-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422630 1147704970 /nfs/dbraw/zinc/70/49/70/1147704970.db2.gz HTQISNKBYIOQIM-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459490 1147711977 /nfs/dbraw/zinc/71/19/77/1147711977.db2.gz XTUGHNKZIGOFHM-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459490 1147711978 /nfs/dbraw/zinc/71/19/78/1147711978.db2.gz XTUGHNKZIGOFHM-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317525984 1147720328 /nfs/dbraw/zinc/72/03/28/1147720328.db2.gz DGLRWDRPMXEPDZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317525984 1147720330 /nfs/dbraw/zinc/72/03/30/1147720330.db2.gz DGLRWDRPMXEPDZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317525984 1147720332 /nfs/dbraw/zinc/72/03/32/1147720332.db2.gz DGLRWDRPMXEPDZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001317723588 1147747290 /nfs/dbraw/zinc/74/72/90/1147747290.db2.gz HPODGSLLWMBWPJ-KRWDZBQOSA-N 2 1 315.461 2.045 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001318273202 1147806346 /nfs/dbraw/zinc/80/63/46/1147806346.db2.gz OTZPLDUPJQXGDS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001318273202 1147806348 /nfs/dbraw/zinc/80/63/48/1147806348.db2.gz OTZPLDUPJQXGDS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001318273202 1147806349 /nfs/dbraw/zinc/80/63/49/1147806349.db2.gz OTZPLDUPJQXGDS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675704 1147829714 /nfs/dbraw/zinc/82/97/14/1147829714.db2.gz ZFYSZPSFMDHZAH-RHSMWYFYSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675704 1147829718 /nfs/dbraw/zinc/82/97/18/1147829718.db2.gz ZFYSZPSFMDHZAH-RHSMWYFYSA-N 2 1 304.438 2.127 20 30 DEEDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000181705370 199342072 /nfs/dbraw/zinc/34/20/72/199342072.db2.gz HWNNAPBGHTYDLN-MRXNPFEDSA-N 2 1 300.450 2.236 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000329855657 539930964 /nfs/dbraw/zinc/93/09/64/539930964.db2.gz UFFAYGQXPGPQCY-CYBMUJFWSA-N 2 1 302.422 2.337 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329846571 404469234 /nfs/dbraw/zinc/46/92/34/404469234.db2.gz OXQZDUXEJKQLEV-MRXNPFEDSA-N 2 1 319.453 2.056 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173953118 198271689 /nfs/dbraw/zinc/27/16/89/198271689.db2.gz NYIYJZXMCUZZFF-SJORKVTESA-N 2 1 307.482 2.382 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000581602902 357214583 /nfs/dbraw/zinc/21/45/83/357214583.db2.gz ZPSIAPYUZPRPEG-GOSISDBHSA-N 2 1 306.425 2.359 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596651219 358733079 /nfs/dbraw/zinc/73/30/79/358733079.db2.gz CCEYXTPQUKEASK-MRXNPFEDSA-N 2 1 323.400 2.070 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294695 359453478 /nfs/dbraw/zinc/45/34/78/359453478.db2.gz GLHQIEITPPXZSM-LJQANCHMSA-N 2 1 312.461 2.079 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602561172 360432935 /nfs/dbraw/zinc/43/29/35/360432935.db2.gz WKMHQAONWHMVDT-WMZOPIPTSA-N 2 1 301.434 2.153 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602561172 360432940 /nfs/dbraw/zinc/43/29/40/360432940.db2.gz WKMHQAONWHMVDT-WMZOPIPTSA-N 2 1 301.434 2.153 20 30 DEEDMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271869030 209283031 /nfs/dbraw/zinc/28/30/31/209283031.db2.gz MCGHDTWIESVROQ-UHFFFAOYSA-N 2 1 324.472 2.374 20 30 DEEDMP N#CCCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000611287752 361572647 /nfs/dbraw/zinc/57/26/47/361572647.db2.gz AGBQULBOJDCMLU-IRXDYDNUSA-N 2 1 321.428 2.115 20 30 DEEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000611391529 361589485 /nfs/dbraw/zinc/58/94/85/361589485.db2.gz MKUBXMXAFKMCIH-IBGZPJMESA-N 2 1 313.445 2.372 20 30 DEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000447545533 239012614 /nfs/dbraw/zinc/01/26/14/239012614.db2.gz XLMUDISJVODNEH-GUDVDZBRSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000447545533 239012622 /nfs/dbraw/zinc/01/26/22/239012622.db2.gz XLMUDISJVODNEH-GUDVDZBRSA-N 2 1 313.445 2.295 20 30 DEEDMP C=CCc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(OC)c1O ZINC000271773355 209201690 /nfs/dbraw/zinc/20/16/90/209201690.db2.gz CAJZWFFKEVMMKA-UHFFFAOYSA-N 2 1 302.418 2.481 20 30 DEEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243687 195126637 /nfs/dbraw/zinc/12/66/37/195126637.db2.gz QPEWNMVSPLBUSR-MRXNPFEDSA-N 2 1 322.497 2.191 20 30 DEEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000264108359 533365110 /nfs/dbraw/zinc/36/51/10/533365110.db2.gz PZCOKTRWBZDHMF-VIFPVBQESA-N 2 1 304.316 2.262 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104152643 402199660 /nfs/dbraw/zinc/19/96/60/402199660.db2.gz MQFPZWURFDKRQH-UHFFFAOYSA-N 2 1 304.438 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316876 402640978 /nfs/dbraw/zinc/64/09/78/402640978.db2.gz ZUCOELMSZGDTFM-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181316876 402640980 /nfs/dbraw/zinc/64/09/80/402640980.db2.gz ZUCOELMSZGDTFM-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181316876 402640982 /nfs/dbraw/zinc/64/09/82/402640982.db2.gz ZUCOELMSZGDTFM-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP Cc1cc(N2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)nc(C)[nH+]1 ZINC000191292349 402658183 /nfs/dbraw/zinc/65/81/83/402658183.db2.gz JYOAIAYFVXUUNG-UHFFFAOYSA-N 2 1 324.432 2.062 20 30 DEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281750062 403088374 /nfs/dbraw/zinc/08/83/74/403088374.db2.gz QXENILMSWVSYRZ-UHFFFAOYSA-N 2 1 317.433 2.157 20 30 DEEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346856265 403605649 /nfs/dbraw/zinc/60/56/49/403605649.db2.gz VUOTYCDIRNSDBP-JYJNAYRXSA-N 2 1 302.418 2.298 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351850883 403960325 /nfs/dbraw/zinc/96/03/25/403960325.db2.gz KFBDEGSEDWEKRO-ILXRZTDVSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351850883 403960332 /nfs/dbraw/zinc/96/03/32/403960332.db2.gz KFBDEGSEDWEKRO-ILXRZTDVSA-N 2 1 321.490 2.320 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000328844026 404159443 /nfs/dbraw/zinc/15/94/43/404159443.db2.gz WMVDMIXZMAZGNB-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP C=CCC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064725 404389599 /nfs/dbraw/zinc/38/95/99/404389599.db2.gz IPUWEGQSTHGYHQ-JKSUJKDBSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064725 404389603 /nfs/dbraw/zinc/38/96/03/404389603.db2.gz IPUWEGQSTHGYHQ-JKSUJKDBSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064725 404389609 /nfs/dbraw/zinc/38/96/09/404389609.db2.gz IPUWEGQSTHGYHQ-JKSUJKDBSA-N 2 1 319.449 2.464 20 30 DEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330049045 404538307 /nfs/dbraw/zinc/53/83/07/404538307.db2.gz JBCPSKIFPYCFPN-ZIAGYGMSSA-N 2 1 319.453 2.218 20 30 DEEDMP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330189028 404577636 /nfs/dbraw/zinc/57/76/36/404577636.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330189028 404577639 /nfs/dbraw/zinc/57/76/39/404577639.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330189028 404577647 /nfs/dbraw/zinc/57/76/47/404577647.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330189028 404577650 /nfs/dbraw/zinc/57/76/50/404577650.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330189028 404577654 /nfs/dbraw/zinc/57/76/54/404577654.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330189028 404577656 /nfs/dbraw/zinc/57/76/56/404577656.db2.gz LOCZHXOXKHHJOZ-BMFZPTHFSA-N 2 1 319.453 2.053 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC000638523384 405525988 /nfs/dbraw/zinc/52/59/88/405525988.db2.gz ARRHTGWQIRLHEZ-KZNAEPCWSA-N 2 1 308.466 2.343 20 30 DEEDMP C#CC[NH+]1CCC(c2nc(CC34CCC[NH+]3CCC4)no2)CC1 ZINC000491726173 406688957 /nfs/dbraw/zinc/68/89/57/406688957.db2.gz FOLFJPIJVSGWAN-UHFFFAOYSA-N 2 1 314.433 2.053 20 30 DEEDMP COc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCCC2)cc1 ZINC000262472853 225273888 /nfs/dbraw/zinc/27/38/88/225273888.db2.gz BLOUNAIWKLQCSZ-WMLDXEAASA-N 2 1 316.449 2.160 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+](C)Cc2ccco2)N1 ZINC000262679334 225282541 /nfs/dbraw/zinc/28/25/41/225282541.db2.gz VKAKPTBIWZGXKS-CQSZACIVSA-N 2 1 312.417 2.349 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+](C)Cc2ccco2)N1 ZINC000262679334 225282548 /nfs/dbraw/zinc/28/25/48/225282548.db2.gz VKAKPTBIWZGXKS-CQSZACIVSA-N 2 1 312.417 2.349 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263160226 225292181 /nfs/dbraw/zinc/29/21/81/225292181.db2.gz QMZPXMZXTOLAEZ-QGZVFWFLSA-N 2 1 300.450 2.309 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267156581 225346415 /nfs/dbraw/zinc/34/64/15/225346415.db2.gz IOYQDVIAZFFFFG-INIZCTEOSA-N 2 1 306.479 2.467 20 30 DEEDMP C=CC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662682179 425712810 /nfs/dbraw/zinc/71/28/10/425712810.db2.gz HPPZTJSCXNVUBC-SJLPKXTDSA-N 2 1 307.482 2.313 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357567 276170548 /nfs/dbraw/zinc/17/05/48/276170548.db2.gz JPIINMWTCYUMGQ-CVEARBPZSA-N 2 1 322.497 2.257 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001423587717 1173431770 /nfs/dbraw/zinc/43/17/70/1173431770.db2.gz OMWHQENJNCVPRC-OAHLLOKOSA-N 2 1 301.862 2.051 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262014118 526382552 /nfs/dbraw/zinc/38/25/52/526382552.db2.gz XJFOYQIRWIYKDX-ABAIWWIYSA-N 2 1 306.479 2.204 20 30 DEEDMP C=C(C)CNC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262524898 526575937 /nfs/dbraw/zinc/57/59/37/526575937.db2.gz KJBMZRIVIFKYBU-UHFFFAOYSA-N 2 1 322.497 2.281 20 30 DEEDMP C=C(C)CNC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262524898 526575943 /nfs/dbraw/zinc/57/59/43/526575943.db2.gz KJBMZRIVIFKYBU-UHFFFAOYSA-N 2 1 322.497 2.281 20 30 DEEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246008738 527015303 /nfs/dbraw/zinc/01/53/03/527015303.db2.gz KSBGAYURDBFNOE-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[C@@H]1[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000338374343 527118604 /nfs/dbraw/zinc/11/86/04/527118604.db2.gz UGEIPYKJSKWGTC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[C@@H]1[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000338374343 527118610 /nfs/dbraw/zinc/11/86/10/527118610.db2.gz UGEIPYKJSKWGTC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC000262231523 527314413 /nfs/dbraw/zinc/31/44/13/527314413.db2.gz ABOFHKGELCKRBL-HOTGVXAUSA-N 2 1 318.852 2.403 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264065047 527981012 /nfs/dbraw/zinc/98/10/12/527981012.db2.gz AVTSZDZJJVSYRB-KRWDZBQOSA-N 2 1 302.466 2.208 20 30 DEEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262025079 528818031 /nfs/dbraw/zinc/81/80/31/528818031.db2.gz ZMPCIXWBSGEYQG-WFASDCNBSA-N 2 1 306.479 2.286 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632381 625364398 /nfs/dbraw/zinc/36/43/98/625364398.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632381 625364400 /nfs/dbraw/zinc/36/44/00/625364400.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632381 625364401 /nfs/dbraw/zinc/36/44/01/625364401.db2.gz LLHQVZZMZGLQQX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684975 625439656 /nfs/dbraw/zinc/43/96/56/625439656.db2.gz KNWYJWONILLIJM-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686150 625457035 /nfs/dbraw/zinc/45/70/35/625457035.db2.gz UOQCMIIXHGECJT-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686150 625457038 /nfs/dbraw/zinc/45/70/38/625457038.db2.gz UOQCMIIXHGECJT-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680512 622879940 /nfs/dbraw/zinc/87/99/40/622879940.db2.gz NDUSVTAZZBDLMN-CVEARBPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605248 623821360 /nfs/dbraw/zinc/82/13/60/623821360.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605248 623821368 /nfs/dbraw/zinc/82/13/68/623821368.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605248 623821374 /nfs/dbraw/zinc/82/13/74/623821374.db2.gz LXDSXVIIONAWCT-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024813325 625066099 /nfs/dbraw/zinc/06/60/99/625066099.db2.gz ZGCGQEPYDFCBEJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524244 625838308 /nfs/dbraw/zinc/83/83/08/625838308.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524244 625838312 /nfs/dbraw/zinc/83/83/12/625838312.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524244 625838317 /nfs/dbraw/zinc/83/83/17/625838317.db2.gz UNLKRZBCRDQYQL-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000241068 634818906 /nfs/dbraw/zinc/81/89/06/634818906.db2.gz NLTDHEAGERGSOU-HOTGVXAUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC000995842236 633126208 /nfs/dbraw/zinc/12/62/08/633126208.db2.gz TZUBZLKLUJGAQO-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974660751 633205987 /nfs/dbraw/zinc/20/59/87/633205987.db2.gz WACIEURZFRANGY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000996611372 633308055 /nfs/dbraw/zinc/30/80/55/633308055.db2.gz KBXDBEMBYXXNGE-CQSZACIVSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996978824 633547207 /nfs/dbraw/zinc/54/72/07/633547207.db2.gz KIPWFDFJEBJUCB-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996978824 633547211 /nfs/dbraw/zinc/54/72/11/633547211.db2.gz KIPWFDFJEBJUCB-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997062028 633566432 /nfs/dbraw/zinc/56/64/32/633566432.db2.gz LABHEBQMSNUWJP-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027433190 633775132 /nfs/dbraw/zinc/77/51/32/633775132.db2.gz UOGQPMKOGMXWMH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433190 633775144 /nfs/dbraw/zinc/77/51/44/633775144.db2.gz UOGQPMKOGMXWMH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433190 633775153 /nfs/dbraw/zinc/77/51/53/633775153.db2.gz UOGQPMKOGMXWMH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027437658 633785139 /nfs/dbraw/zinc/78/51/39/633785139.db2.gz CYAFWDMSWZABJM-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437658 633785142 /nfs/dbraw/zinc/78/51/42/633785142.db2.gz CYAFWDMSWZABJM-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437658 633785148 /nfs/dbraw/zinc/78/51/48/633785148.db2.gz CYAFWDMSWZABJM-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576749 634178282 /nfs/dbraw/zinc/17/82/82/634178282.db2.gz VWBQNQHMVOHIIN-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001027576749 634178289 /nfs/dbraw/zinc/17/82/89/634178289.db2.gz VWBQNQHMVOHIIN-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576749 634178311 /nfs/dbraw/zinc/17/83/11/634178311.db2.gz VWBQNQHMVOHIIN-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001027576749 634178319 /nfs/dbraw/zinc/17/83/19/634178319.db2.gz VWBQNQHMVOHIIN-UKRRQHHQSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980083297 634845509 /nfs/dbraw/zinc/84/55/09/634845509.db2.gz IAKNKFHORXOGHA-GVDBMIGSSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980170320 634873706 /nfs/dbraw/zinc/87/37/06/634873706.db2.gz BNJVCZDRIURUDM-BZSNNMDCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027930367 634997538 /nfs/dbraw/zinc/99/75/38/634997538.db2.gz OIGNPCJWFOXLNW-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930367 634997539 /nfs/dbraw/zinc/99/75/39/634997539.db2.gz OIGNPCJWFOXLNW-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930367 634997541 /nfs/dbraw/zinc/99/75/41/634997541.db2.gz OIGNPCJWFOXLNW-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000677140 635273692 /nfs/dbraw/zinc/27/36/92/635273692.db2.gz FIJFTPGJPYQCNU-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000677140 635273697 /nfs/dbraw/zinc/27/36/97/635273697.db2.gz FIJFTPGJPYQCNU-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000677140 635273703 /nfs/dbraw/zinc/27/37/03/635273703.db2.gz FIJFTPGJPYQCNU-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681974 635276024 /nfs/dbraw/zinc/27/60/24/635276024.db2.gz GJEYNIODTFUSEZ-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681974 635276030 /nfs/dbraw/zinc/27/60/30/635276030.db2.gz GJEYNIODTFUSEZ-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000681974 635276036 /nfs/dbraw/zinc/27/60/36/635276036.db2.gz GJEYNIODTFUSEZ-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000767242 635289810 /nfs/dbraw/zinc/28/98/10/635289810.db2.gz MYAGAWANRFQXHI-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767242 635289812 /nfs/dbraw/zinc/28/98/12/635289812.db2.gz MYAGAWANRFQXHI-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767242 635289816 /nfs/dbraw/zinc/28/98/16/635289816.db2.gz MYAGAWANRFQXHI-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000950064395 635299276 /nfs/dbraw/zinc/29/92/76/635299276.db2.gz ZQVRGKDXTCNXGJ-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000950064395 635299279 /nfs/dbraw/zinc/29/92/79/635299279.db2.gz ZQVRGKDXTCNXGJ-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367761 635478737 /nfs/dbraw/zinc/47/87/37/635478737.db2.gz COFSJJJCNXOYGB-MSOLQXFVSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372029 635479764 /nfs/dbraw/zinc/47/97/64/635479764.db2.gz SFVHENNCHVLNOS-MSOLQXFVSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467142 635501585 /nfs/dbraw/zinc/50/15/85/635501585.db2.gz GVGPIBDGACRFDA-UHFFFAOYSA-N 2 1 313.445 2.296 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002813017 635804518 /nfs/dbraw/zinc/80/45/18/635804518.db2.gz VWUWNYMBZGBOQZ-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152024 635891488 /nfs/dbraw/zinc/89/14/88/635891488.db2.gz PZOTVUGZFZOTIR-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003142987 635915632 /nfs/dbraw/zinc/91/56/32/635915632.db2.gz FVMHNXHHEUDDFF-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251701 635960142 /nfs/dbraw/zinc/96/01/42/635960142.db2.gz JWIPVOAXDCOXAT-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774861 636135391 /nfs/dbraw/zinc/13/53/91/636135391.db2.gz HVTZOXKRFAQROU-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579795 636373505 /nfs/dbraw/zinc/37/35/05/636373505.db2.gz JDLCHSVBTHLMPC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579795 636373508 /nfs/dbraw/zinc/37/35/08/636373508.db2.gz JDLCHSVBTHLMPC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579795 636373510 /nfs/dbraw/zinc/37/35/10/636373510.db2.gz JDLCHSVBTHLMPC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579795 636373511 /nfs/dbraw/zinc/37/35/11/636373511.db2.gz JDLCHSVBTHLMPC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831671 636496013 /nfs/dbraw/zinc/49/60/13/636496013.db2.gz PSTVTIFMMPLJOP-PBWTXFEYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618359 636503464 /nfs/dbraw/zinc/50/34/64/636503464.db2.gz VWLWNDRASNNFKS-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618359 636503470 /nfs/dbraw/zinc/50/34/70/636503470.db2.gz VWLWNDRASNNFKS-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618359 636503475 /nfs/dbraw/zinc/50/34/75/636503475.db2.gz VWLWNDRASNNFKS-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001005999138 637064243 /nfs/dbraw/zinc/06/42/43/637064243.db2.gz YLPZHLFXQANOEO-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385975 637154219 /nfs/dbraw/zinc/15/42/19/637154219.db2.gz IAGVCFMSQINIRS-OALUTQOASA-N 2 1 313.445 2.303 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987103056 640087436 /nfs/dbraw/zinc/08/74/36/640087436.db2.gz NTTIAIUSYMNXFX-KGLIPLIRSA-N 2 1 324.856 2.338 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767770 641986563 /nfs/dbraw/zinc/98/65/63/641986563.db2.gz YRSXSSAAQXMOLQ-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767770 641986565 /nfs/dbraw/zinc/98/65/65/641986565.db2.gz YRSXSSAAQXMOLQ-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767770 641986566 /nfs/dbraw/zinc/98/65/66/641986566.db2.gz YRSXSSAAQXMOLQ-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000900333570 642323674 /nfs/dbraw/zinc/32/36/74/642323674.db2.gz BXPONDIJYYPRQO-SJLPKXTDSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000900428948 642367634 /nfs/dbraw/zinc/36/76/34/642367634.db2.gz LNQPXIIYTDJIOW-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903458911 643352187 /nfs/dbraw/zinc/35/21/87/643352187.db2.gz MXKUMVADNJRSIM-KRWDZBQOSA-N 2 1 324.432 2.062 20 30 DEEDMP CSCCC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912507875 646090138 /nfs/dbraw/zinc/09/01/38/646090138.db2.gz GZIVARMPMVQPBY-ZDUSSCGKSA-N 2 1 300.516 2.167 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(NC[C@@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912509173 646091069 /nfs/dbraw/zinc/09/10/69/646091069.db2.gz VTQFSXQWSBLWEY-CVEARBPZSA-N 2 1 324.513 2.231 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175089 646885958 /nfs/dbraw/zinc/88/59/58/646885958.db2.gz TUGWZURDTPRTEB-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175089 646885963 /nfs/dbraw/zinc/88/59/63/646885963.db2.gz TUGWZURDTPRTEB-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992192668 646895550 /nfs/dbraw/zinc/89/55/50/646895550.db2.gz TYKGATZMPZCKFA-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992192668 646895552 /nfs/dbraw/zinc/89/55/52/646895552.db2.gz TYKGATZMPZCKFA-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353878 646956199 /nfs/dbraw/zinc/95/61/99/646956199.db2.gz SYJDCGAWGIPSSF-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353878 646956203 /nfs/dbraw/zinc/95/62/03/646956203.db2.gz SYJDCGAWGIPSSF-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015387495 647287946 /nfs/dbraw/zinc/28/79/46/647287946.db2.gz LVRRDYBOPCIVPO-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993532569 647691272 /nfs/dbraw/zinc/69/12/72/647691272.db2.gz VBLRRZPMZAUXSG-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993903800 647760710 /nfs/dbraw/zinc/76/07/10/647760710.db2.gz MSQZPKJUNZVEOF-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993903800 647760711 /nfs/dbraw/zinc/76/07/11/647760711.db2.gz MSQZPKJUNZVEOF-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737357 648935549 /nfs/dbraw/zinc/93/55/49/648935549.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737357 648935551 /nfs/dbraw/zinc/93/55/51/648935551.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737357 648935553 /nfs/dbraw/zinc/93/55/53/648935553.db2.gz NXLDKYLNNDOCRG-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757004 648940188 /nfs/dbraw/zinc/94/01/88/648940188.db2.gz PFKCQFHRGKLSNM-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757004 648940191 /nfs/dbraw/zinc/94/01/91/648940191.db2.gz PFKCQFHRGKLSNM-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757004 648940194 /nfs/dbraw/zinc/94/01/94/648940194.db2.gz PFKCQFHRGKLSNM-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940801149 648944828 /nfs/dbraw/zinc/94/48/28/648944828.db2.gz ODZPSTYMPVJXGJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801149 648944831 /nfs/dbraw/zinc/94/48/31/648944831.db2.gz ODZPSTYMPVJXGJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801149 648944834 /nfs/dbraw/zinc/94/48/34/648944834.db2.gz ODZPSTYMPVJXGJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076266 648994973 /nfs/dbraw/zinc/99/49/73/648994973.db2.gz VBLJMIMLYCHWKQ-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203330 649183146 /nfs/dbraw/zinc/18/31/46/649183146.db2.gz GXUCUBSYSZOGKB-KBXCAEBGSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)[C@@H](C)C1 ZINC000942484666 649226875 /nfs/dbraw/zinc/22/68/75/649226875.db2.gz DNPYQKQPVMQURI-LSDHHAIUSA-N 2 1 312.417 2.351 20 30 DEEDMP CCC[N@@H+]1Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2C1 ZINC000852864516 652472230 /nfs/dbraw/zinc/47/22/30/652472230.db2.gz YOMCZBJALHXNMJ-UHFFFAOYSA-N 2 1 311.429 2.354 20 30 DEEDMP CCC[N@H+]1Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2C1 ZINC000852864516 652472232 /nfs/dbraw/zinc/47/22/32/652472232.db2.gz YOMCZBJALHXNMJ-UHFFFAOYSA-N 2 1 311.429 2.354 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762959 685260912 /nfs/dbraw/zinc/26/09/12/685260912.db2.gz WGXXTPFEIHDGAZ-QGZVFWFLSA-N 2 1 302.466 2.235 20 30 DEEDMP C[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)CC(C)(C)C ZINC000189387766 684379950 /nfs/dbraw/zinc/37/99/50/684379950.db2.gz WJQDAIZHDXPPRD-HNNXBMFYSA-N 2 1 312.502 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148710 693863554 /nfs/dbraw/zinc/86/35/54/693863554.db2.gz USJKRABTFOKSFJ-FUHWJXTLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196762 693877508 /nfs/dbraw/zinc/87/75/08/693877508.db2.gz MOCNNVXECSJGTR-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2C1 ZINC001054281101 693913166 /nfs/dbraw/zinc/91/31/66/693913166.db2.gz BITPJRPMXOYQEM-KBXCAEBGSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2C1 ZINC001054281101 693913170 /nfs/dbraw/zinc/91/31/70/693913170.db2.gz BITPJRPMXOYQEM-KBXCAEBGSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281101 693913174 /nfs/dbraw/zinc/91/31/74/693913174.db2.gz BITPJRPMXOYQEM-KBXCAEBGSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)cc2C1 ZINC001054281101 693913178 /nfs/dbraw/zinc/91/31/78/693913178.db2.gz BITPJRPMXOYQEM-KBXCAEBGSA-N 2 1 313.445 2.002 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000866365745 687549224 /nfs/dbraw/zinc/54/92/24/687549224.db2.gz WORMYIKCOKZOOE-UHFFFAOYSA-N 2 1 315.461 2.209 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000866365745 687549229 /nfs/dbraw/zinc/54/92/29/687549229.db2.gz WORMYIKCOKZOOE-UHFFFAOYSA-N 2 1 315.461 2.209 20 30 DEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017616891 687924887 /nfs/dbraw/zinc/92/48/87/687924887.db2.gz FYXZCJDDISASCT-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017616891 687924889 /nfs/dbraw/zinc/92/48/89/687924889.db2.gz FYXZCJDDISASCT-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017616891 687924892 /nfs/dbraw/zinc/92/48/92/687924892.db2.gz FYXZCJDDISASCT-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017616891 687924894 /nfs/dbraw/zinc/92/48/94/687924894.db2.gz FYXZCJDDISASCT-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851847 688243895 /nfs/dbraw/zinc/24/38/95/688243895.db2.gz WFZJVMXSLWDKHR-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001031104657 688838412 /nfs/dbraw/zinc/83/84/12/688838412.db2.gz ZQJVZKZEZYAERZ-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454501 689155774 /nfs/dbraw/zinc/15/57/74/689155774.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454501 689155775 /nfs/dbraw/zinc/15/57/75/689155775.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454501 689155777 /nfs/dbraw/zinc/15/57/77/689155777.db2.gz VJTPFEVXOHONLY-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083320 689381119 /nfs/dbraw/zinc/38/11/19/689381119.db2.gz ZQPXHOGIFRIHOR-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083320 689381122 /nfs/dbraw/zinc/38/11/22/689381122.db2.gz ZQPXHOGIFRIHOR-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083320 689381125 /nfs/dbraw/zinc/38/11/25/689381125.db2.gz ZQPXHOGIFRIHOR-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145888 689403629 /nfs/dbraw/zinc/40/36/29/689403629.db2.gz LNGBDFHFEILXEN-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033145888 689403633 /nfs/dbraw/zinc/40/36/33/689403633.db2.gz LNGBDFHFEILXEN-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033145888 689403636 /nfs/dbraw/zinc/40/36/36/689403636.db2.gz LNGBDFHFEILXEN-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182828 689415021 /nfs/dbraw/zinc/41/50/21/689415021.db2.gz RSPKTFFMKOZXAF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228281 689431447 /nfs/dbraw/zinc/43/14/47/689431447.db2.gz KCQHXMSGTDKLRJ-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932353 689666213 /nfs/dbraw/zinc/66/62/13/689666213.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932353 689666217 /nfs/dbraw/zinc/66/62/17/689666217.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932353 689666219 /nfs/dbraw/zinc/66/62/19/689666219.db2.gz LWFBDMVXRWQMKV-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932352 689666497 /nfs/dbraw/zinc/66/64/97/689666497.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932352 689666499 /nfs/dbraw/zinc/66/64/99/689666499.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932352 689666502 /nfs/dbraw/zinc/66/65/02/689666502.db2.gz LWFBDMVXRWQMKV-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216425 689766321 /nfs/dbraw/zinc/76/63/21/689766321.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216425 689766323 /nfs/dbraw/zinc/76/63/23/689766323.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216425 689766326 /nfs/dbraw/zinc/76/63/26/689766326.db2.gz GQJCIYTWUIQPCT-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328820 689810115 /nfs/dbraw/zinc/81/01/15/689810115.db2.gz DUPYUSFSELJMQU-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330972 689811960 /nfs/dbraw/zinc/81/19/60/689811960.db2.gz QQBMOKJWOVCEGS-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034684382 689925976 /nfs/dbraw/zinc/92/59/76/689925976.db2.gz KKDCQRJIAYYAJJ-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034733838 689936477 /nfs/dbraw/zinc/93/64/77/689936477.db2.gz DUJGMHUJUCCOCE-QEJZJMRPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120437 690023305 /nfs/dbraw/zinc/02/33/05/690023305.db2.gz ROIMEEWMYHTDAW-JKSUJKDBSA-N 2 1 321.852 2.095 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035227051 690066961 /nfs/dbraw/zinc/06/69/61/690066961.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035227051 690066963 /nfs/dbraw/zinc/06/69/63/690066963.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035227051 690066966 /nfs/dbraw/zinc/06/69/66/690066966.db2.gz NGNLWOFEJVHZED-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036202202 690289331 /nfs/dbraw/zinc/28/93/31/690289331.db2.gz GVBFXNMOZZRWGZ-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040276 691000588 /nfs/dbraw/zinc/00/05/88/691000588.db2.gz QBKNDHHRHGTQJS-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134007 691030173 /nfs/dbraw/zinc/03/01/73/691030173.db2.gz NQYUESBPMABGIB-ZWKOTPCHSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039297900 691076880 /nfs/dbraw/zinc/07/68/80/691076880.db2.gz DCGDDBMGDPQMHY-CSNJMZFVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040114364 691199736 /nfs/dbraw/zinc/19/97/36/691199736.db2.gz KGXDNCQGYBWPPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040114364 691199738 /nfs/dbraw/zinc/19/97/38/691199738.db2.gz KGXDNCQGYBWPPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040114364 691199741 /nfs/dbraw/zinc/19/97/41/691199741.db2.gz KGXDNCQGYBWPPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209252 691213440 /nfs/dbraw/zinc/21/34/40/691213440.db2.gz HQZVKESTRSTAGI-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209252 691213442 /nfs/dbraw/zinc/21/34/42/691213442.db2.gz HQZVKESTRSTAGI-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209252 691213444 /nfs/dbraw/zinc/21/34/44/691213444.db2.gz HQZVKESTRSTAGI-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040368513 691236776 /nfs/dbraw/zinc/23/67/76/691236776.db2.gz HTLWPSJKKFNADV-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624577 691402688 /nfs/dbraw/zinc/40/26/88/691402688.db2.gz BJARZPXBPKYRBB-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725278 691418202 /nfs/dbraw/zinc/41/82/02/691418202.db2.gz MUUYKZVFMLQFTA-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094176 691506419 /nfs/dbraw/zinc/50/64/19/691506419.db2.gz QFVBUIPRXOOALD-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044033550 691762033 /nfs/dbraw/zinc/76/20/33/691762033.db2.gz ADMKRSGKFQGJSC-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044033550 691762035 /nfs/dbraw/zinc/76/20/35/691762035.db2.gz ADMKRSGKFQGJSC-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438922 691981129 /nfs/dbraw/zinc/98/11/29/691981129.db2.gz WZZMULRJCXIRHC-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2)CC1 ZINC000886186283 692020451 /nfs/dbraw/zinc/02/04/51/692020451.db2.gz UMXPEOGDBMLQFT-MRXNPFEDSA-N 2 1 305.466 2.239 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369133 692168341 /nfs/dbraw/zinc/16/83/41/692168341.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369133 692168343 /nfs/dbraw/zinc/16/83/43/692168343.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369133 692168344 /nfs/dbraw/zinc/16/83/44/692168344.db2.gz POROFRDAGIQUHM-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001316 692741124 /nfs/dbraw/zinc/74/11/24/692741124.db2.gz PAAOKLVZVJNTNU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001316 692741126 /nfs/dbraw/zinc/74/11/26/692741126.db2.gz PAAOKLVZVJNTNU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001316 692741128 /nfs/dbraw/zinc/74/11/28/692741128.db2.gz PAAOKLVZVJNTNU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235870 692796821 /nfs/dbraw/zinc/79/68/21/692796821.db2.gz WIDOVDJTOYJWNP-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671622 692961009 /nfs/dbraw/zinc/96/10/09/692961009.db2.gz LXZGAURQICEJIV-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671622 692961011 /nfs/dbraw/zinc/96/10/11/692961011.db2.gz LXZGAURQICEJIV-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671622 692961016 /nfs/dbraw/zinc/96/10/16/692961016.db2.gz LXZGAURQICEJIV-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724856 692976857 /nfs/dbraw/zinc/97/68/57/692976857.db2.gz UGBMZRPPGWZTLW-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724856 692976862 /nfs/dbraw/zinc/97/68/62/692976862.db2.gz UGBMZRPPGWZTLW-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724856 692976863 /nfs/dbraw/zinc/97/68/63/692976863.db2.gz UGBMZRPPGWZTLW-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846206 693020282 /nfs/dbraw/zinc/02/02/82/693020282.db2.gz GIYSGOOUNINOGJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915120 693046934 /nfs/dbraw/zinc/04/69/34/693046934.db2.gz SOYWJBWRQGUYGR-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663010 693226857 /nfs/dbraw/zinc/22/68/57/693226857.db2.gz PQILNELBFWFSAQ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050756116 693244894 /nfs/dbraw/zinc/24/48/94/693244894.db2.gz RCTXUKONGJTLJX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052367845 693516168 /nfs/dbraw/zinc/51/61/68/693516168.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367845 693516170 /nfs/dbraw/zinc/51/61/70/693516170.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367845 693516174 /nfs/dbraw/zinc/51/61/74/693516174.db2.gz BYVSQJGYHCQKIO-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439527 693535239 /nfs/dbraw/zinc/53/52/39/693535239.db2.gz OYOHSABALCBQMA-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439527 693535242 /nfs/dbraw/zinc/53/52/42/693535242.db2.gz OYOHSABALCBQMA-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529501 693559930 /nfs/dbraw/zinc/55/99/30/693559930.db2.gz RMWIFYPTBOGWQK-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871981 693638487 /nfs/dbraw/zinc/63/84/87/693638487.db2.gz SWIHYEFRUOWAHE-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955332 693655406 /nfs/dbraw/zinc/65/54/06/693655406.db2.gz DAERJEDVUCHZEJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955332 693655411 /nfs/dbraw/zinc/65/54/11/693655411.db2.gz DAERJEDVUCHZEJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955332 693655415 /nfs/dbraw/zinc/65/54/15/693655415.db2.gz DAERJEDVUCHZEJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001375956626 1159023685 /nfs/dbraw/zinc/02/36/85/1159023685.db2.gz JYVJFMJFCUDWCK-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001375956626 1159023695 /nfs/dbraw/zinc/02/36/95/1159023695.db2.gz JYVJFMJFCUDWCK-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001375956626 1159023702 /nfs/dbraw/zinc/02/37/02/1159023702.db2.gz JYVJFMJFCUDWCK-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001375956626 1159023713 /nfs/dbraw/zinc/02/37/13/1159023713.db2.gz JYVJFMJFCUDWCK-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107167 782193107 /nfs/dbraw/zinc/19/31/07/782193107.db2.gz WKHOVNAWANTUSX-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001332221159 1149837359 /nfs/dbraw/zinc/83/73/59/1149837359.db2.gz WZZYUCNBWYAKJT-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001402646638 1162425147 /nfs/dbraw/zinc/42/51/47/1162425147.db2.gz VQVQJTXVNGVVKT-OWCLPIDISA-N 2 1 321.852 2.279 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001380841427 1152864153 /nfs/dbraw/zinc/86/41/53/1152864153.db2.gz ZJJSSVYXKAHMMY-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380931051 1152879859 /nfs/dbraw/zinc/87/98/59/1152879859.db2.gz KPYNHTUSFRLLIH-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291169 1153317042 /nfs/dbraw/zinc/31/70/42/1153317042.db2.gz XPMHVOUKKLBGCW-KXBFYZLASA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001373024413 1156840369 /nfs/dbraw/zinc/84/03/69/1156840369.db2.gz BDYULFCYXRJVES-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001394188870 1158357188 /nfs/dbraw/zinc/35/71/88/1158357188.db2.gz PJRXFNLFUFRFKO-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001568500992 1158399297 /nfs/dbraw/zinc/39/92/97/1158399297.db2.gz BUITUNJXKRXDBD-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001401964442 1162199405 /nfs/dbraw/zinc/19/94/05/1162199405.db2.gz TUQYBRLPQNSDQU-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001402077073 1162237788 /nfs/dbraw/zinc/23/77/88/1162237788.db2.gz IFOFAAZOVIQIDY-ZDUSSCGKSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013490 1173015848 /nfs/dbraw/zinc/01/58/48/1173015848.db2.gz ZEMLXFYFOOGZQY-LSDHHAIUSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001423587717 1173431758 /nfs/dbraw/zinc/43/17/58/1173431758.db2.gz OMWHQENJNCVPRC-OAHLLOKOSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001423587717 1173431761 /nfs/dbraw/zinc/43/17/61/1173431761.db2.gz OMWHQENJNCVPRC-OAHLLOKOSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001423587717 1173431765 /nfs/dbraw/zinc/43/17/65/1173431765.db2.gz OMWHQENJNCVPRC-OAHLLOKOSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001438715149 1180784564 /nfs/dbraw/zinc/78/45/64/1180784564.db2.gz PLAGGQIWVHNSCW-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805696 1180818230 /nfs/dbraw/zinc/81/82/30/1180818230.db2.gz QHMGXGWBSFFRDU-GJZGRUSLSA-N 2 1 315.889 2.342 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001439766099 1181227214 /nfs/dbraw/zinc/22/72/14/1181227214.db2.gz UHTXKUYGODVMMG-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001330614286 1149211747 /nfs/dbraw/zinc/21/17/47/1149211747.db2.gz SJQHUCAIWNMYMN-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001330614289 1149212295 /nfs/dbraw/zinc/21/22/95/1149212295.db2.gz SJQHUCAIWNMYMN-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882837 790287177 /nfs/dbraw/zinc/28/71/77/790287177.db2.gz RWDZIFZQWKDSTR-UHFFFAOYSA-N 2 1 324.428 2.367 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707607 1149882168 /nfs/dbraw/zinc/88/21/68/1149882168.db2.gz NPSZQYSQVNQZQU-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344954 782729711 /nfs/dbraw/zinc/72/97/11/782729711.db2.gz UUCFDXVTKGNLKT-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001333398523 1150044962 /nfs/dbraw/zinc/04/49/62/1150044962.db2.gz AHJQIHNFERVFHO-IAGOWNOFSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001333398523 1150044965 /nfs/dbraw/zinc/04/49/65/1150044965.db2.gz AHJQIHNFERVFHO-IAGOWNOFSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001333398523 1150044968 /nfs/dbraw/zinc/04/49/68/1150044968.db2.gz AHJQIHNFERVFHO-IAGOWNOFSA-N 2 1 319.493 2.431 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775377 782929964 /nfs/dbraw/zinc/92/99/64/782929964.db2.gz AKBBIIBDFKNJST-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386059 783063007 /nfs/dbraw/zinc/06/30/07/783063007.db2.gz MGQGJJJTCOVEAA-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484482 783151372 /nfs/dbraw/zinc/15/13/72/783151372.db2.gz XOTUVBQJRQUJHL-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493454 783159556 /nfs/dbraw/zinc/15/95/56/783159556.db2.gz XBEFTUNHICGCHD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493454 783159560 /nfs/dbraw/zinc/15/95/60/783159560.db2.gz XBEFTUNHICGCHD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089493454 783159562 /nfs/dbraw/zinc/15/95/62/783159562.db2.gz XBEFTUNHICGCHD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089529664 783185210 /nfs/dbraw/zinc/18/52/10/783185210.db2.gz VPEBLJHSODVZEQ-AWEZNQCLSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540463 783192265 /nfs/dbraw/zinc/19/22/65/783192265.db2.gz VVPJFTAIOLDTDQ-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240296 776792339 /nfs/dbraw/zinc/79/23/39/776792339.db2.gz IMUIHPHCBKFWAF-UHFFFAOYSA-N 2 1 309.498 2.417 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385374 776978809 /nfs/dbraw/zinc/97/88/09/776978809.db2.gz AKVRSKLIBABBGX-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317389 777781291 /nfs/dbraw/zinc/78/12/91/777781291.db2.gz HKHSXODSMATMTK-BPQIPLTHSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749295 779434528 /nfs/dbraw/zinc/43/45/28/779434528.db2.gz DBFGVNUYDBVWIB-RCCFBDPRSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749295 779434532 /nfs/dbraw/zinc/43/45/32/779434532.db2.gz DBFGVNUYDBVWIB-RCCFBDPRSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749295 779434537 /nfs/dbraw/zinc/43/45/37/779434537.db2.gz DBFGVNUYDBVWIB-RCCFBDPRSA-N 2 1 319.493 2.242 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749522 779436855 /nfs/dbraw/zinc/43/68/55/779436855.db2.gz OUONDMOMIGCXIB-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106695 779705971 /nfs/dbraw/zinc/70/59/71/779705971.db2.gz MOCQVGMWNVPYQI-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106695 779705976 /nfs/dbraw/zinc/70/59/76/779705976.db2.gz MOCQVGMWNVPYQI-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106695 779705978 /nfs/dbraw/zinc/70/59/78/779705978.db2.gz MOCQVGMWNVPYQI-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212785 779776270 /nfs/dbraw/zinc/77/62/70/779776270.db2.gz PMWCXJOMTQFWKX-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001088381856 780052372 /nfs/dbraw/zinc/05/23/72/780052372.db2.gz OMJMWXQUVXPYQE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046050 780902683 /nfs/dbraw/zinc/90/26/83/780902683.db2.gz JOUBGWHXXOXYOR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905293 783336596 /nfs/dbraw/zinc/33/65/96/783336596.db2.gz JCMWTKYODJKBCL-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732140 783396055 /nfs/dbraw/zinc/39/60/55/783396055.db2.gz NLKIHLGDEAUZCW-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732140 783396062 /nfs/dbraw/zinc/39/60/62/783396062.db2.gz NLKIHLGDEAUZCW-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732140 783396067 /nfs/dbraw/zinc/39/60/67/783396067.db2.gz NLKIHLGDEAUZCW-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732142 783396935 /nfs/dbraw/zinc/39/69/35/783396935.db2.gz NLKIHLGDEAUZCW-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732142 783396943 /nfs/dbraw/zinc/39/69/43/783396943.db2.gz NLKIHLGDEAUZCW-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732142 783396951 /nfs/dbraw/zinc/39/69/51/783396951.db2.gz NLKIHLGDEAUZCW-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058868 784215687 /nfs/dbraw/zinc/21/56/87/784215687.db2.gz NJIYWJJIIAXRRY-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058868 784215692 /nfs/dbraw/zinc/21/56/92/784215692.db2.gz NJIYWJJIIAXRRY-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086107498 784414037 /nfs/dbraw/zinc/41/40/37/784414037.db2.gz XQVBTNHAVUMSPL-JZXOWHBKSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554831 784462968 /nfs/dbraw/zinc/46/29/68/784462968.db2.gz XXQJNCSSCXYFFS-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554831 784462973 /nfs/dbraw/zinc/46/29/73/784462973.db2.gz XXQJNCSSCXYFFS-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859721 784623310 /nfs/dbraw/zinc/62/33/10/784623310.db2.gz PZEZPVIBPIEVJW-KRWDZBQOSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCN1CCCCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859721 784623313 /nfs/dbraw/zinc/62/33/13/784623313.db2.gz PZEZPVIBPIEVJW-KRWDZBQOSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954294 784667690 /nfs/dbraw/zinc/66/76/90/784667690.db2.gz ATRJWGAFBMLWQM-KRWDZBQOSA-N 2 1 324.428 2.332 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955369 784668396 /nfs/dbraw/zinc/66/83/96/784668396.db2.gz TUSMOHKGGRIJOA-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007321953 784886495 /nfs/dbraw/zinc/88/64/95/784886495.db2.gz SUMVNWDKIWLHQX-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001007457371 784924575 /nfs/dbraw/zinc/92/45/75/784924575.db2.gz MGHPJWQBSCKWPM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256002 785119020 /nfs/dbraw/zinc/11/90/20/785119020.db2.gz XHDGGCBEEDHOCR-ROUUACIJSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256002 785119022 /nfs/dbraw/zinc/11/90/22/785119022.db2.gz XHDGGCBEEDHOCR-ROUUACIJSA-N 2 1 308.466 2.297 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406365 785856975 /nfs/dbraw/zinc/85/69/75/785856975.db2.gz YHKRSZMWTAQFPM-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1ccnc1)C2 ZINC001109431284 785871746 /nfs/dbraw/zinc/87/17/46/785871746.db2.gz HEMBZGMEUAIEOG-QZWWFDLISA-N 2 1 316.449 2.378 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671543 785983598 /nfs/dbraw/zinc/98/35/98/785983598.db2.gz OREICERMTKIVHY-RANZSIQMSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964360 786330892 /nfs/dbraw/zinc/33/08/92/786330892.db2.gz RZVMJYNNWHALGK-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964359 786331469 /nfs/dbraw/zinc/33/14/69/786331469.db2.gz RZVMJYNNWHALGK-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965249 786332048 /nfs/dbraw/zinc/33/20/48/786332048.db2.gz GRAUPLBHCFDBAO-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552890 787536715 /nfs/dbraw/zinc/53/67/15/787536715.db2.gz HPPFKCGDEHKBOM-IRXDYDNUSA-N 2 1 315.461 2.226 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212272 787967484 /nfs/dbraw/zinc/96/74/84/787967484.db2.gz VWGHEVVZGRFEFV-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085562 787973295 /nfs/dbraw/zinc/97/32/95/787973295.db2.gz IMBORPSUAPJCMQ-TVFCKZIOSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265119 787996776 /nfs/dbraw/zinc/99/67/76/787996776.db2.gz IGDLXJJFKNTNMI-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395705 788083040 /nfs/dbraw/zinc/08/30/40/788083040.db2.gz VUEKDZGDOAPDBS-OLMNPRSZSA-N 2 1 322.412 2.001 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097395705 788083050 /nfs/dbraw/zinc/08/30/50/788083050.db2.gz VUEKDZGDOAPDBS-OLMNPRSZSA-N 2 1 322.412 2.001 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493584 788104578 /nfs/dbraw/zinc/10/45/78/788104578.db2.gz MGPQCTGPYCHETR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790977 788194965 /nfs/dbraw/zinc/19/49/65/788194965.db2.gz OOCGVAKWNJQEFT-OAHLLOKOSA-N 2 1 313.873 2.242 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133275102 788346257 /nfs/dbraw/zinc/34/62/57/788346257.db2.gz PGONJTJEIMGIOT-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750736 788914025 /nfs/dbraw/zinc/91/40/25/788914025.db2.gz MOVNILMHMPVJAJ-DLBZAZTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467474 789356725 /nfs/dbraw/zinc/35/67/25/789356725.db2.gz GKKPIKUXURTJGQ-UONOGXRCSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999241 790005430 /nfs/dbraw/zinc/00/54/30/790005430.db2.gz NUEMDLSLLMKGIE-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071999241 790005435 /nfs/dbraw/zinc/00/54/35/790005435.db2.gz NUEMDLSLLMKGIE-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C[N@H+]1CC[C@H](c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260072 791176102 /nfs/dbraw/zinc/17/61/02/791176102.db2.gz DHQVUCKBKGFXMW-INIZCTEOSA-N 2 1 322.412 2.242 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015453 791923463 /nfs/dbraw/zinc/92/34/63/791923463.db2.gz SBTZMDQVTXBDKQ-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015453 791923466 /nfs/dbraw/zinc/92/34/66/791923466.db2.gz SBTZMDQVTXBDKQ-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015453 791923467 /nfs/dbraw/zinc/92/34/67/791923467.db2.gz SBTZMDQVTXBDKQ-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321647 792171095 /nfs/dbraw/zinc/17/10/95/792171095.db2.gz ZCSHMZVYCABHTJ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321647 792171100 /nfs/dbraw/zinc/17/11/00/792171100.db2.gz ZCSHMZVYCABHTJ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321647 792171107 /nfs/dbraw/zinc/17/11/07/792171107.db2.gz ZCSHMZVYCABHTJ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148138 792527833 /nfs/dbraw/zinc/52/78/33/792527833.db2.gz KYJGQKBUDCMYOU-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094459075 792931835 /nfs/dbraw/zinc/93/18/35/792931835.db2.gz ARQLFLNXXGHHMV-IEBWSBKVSA-N 2 1 324.428 2.495 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285274 793102361 /nfs/dbraw/zinc/10/23/61/793102361.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285274 793102365 /nfs/dbraw/zinc/10/23/65/793102365.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285274 793102379 /nfs/dbraw/zinc/10/23/79/793102379.db2.gz VZLOZPKUHFCBCQ-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464359 793171027 /nfs/dbraw/zinc/17/10/27/793171027.db2.gz FKXCGGYZRHKFMB-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970505 793547978 /nfs/dbraw/zinc/54/79/78/793547978.db2.gz GOLHWZSJUBLZLF-CABCVRRESA-N 2 1 324.469 2.337 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600766 793668870 /nfs/dbraw/zinc/66/88/70/793668870.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600766 793668874 /nfs/dbraw/zinc/66/88/74/793668874.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600766 793668877 /nfs/dbraw/zinc/66/88/77/793668877.db2.gz UMXNAWSQHJZRPI-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089945 793937444 /nfs/dbraw/zinc/93/74/44/793937444.db2.gz HIGKWXFQOBIADP-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089945 793937453 /nfs/dbraw/zinc/93/74/53/793937453.db2.gz HIGKWXFQOBIADP-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089945 793937457 /nfs/dbraw/zinc/93/74/57/793937457.db2.gz HIGKWXFQOBIADP-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882992 794082287 /nfs/dbraw/zinc/08/22/87/794082287.db2.gz ZYRSNVOTIOIRMJ-ZWKOTPCHSA-N 2 1 321.509 2.396 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612879 794160343 /nfs/dbraw/zinc/16/03/43/794160343.db2.gz ZHHCICHFTGJVOE-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612879 794160346 /nfs/dbraw/zinc/16/03/46/794160346.db2.gz ZHHCICHFTGJVOE-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612879 794160351 /nfs/dbraw/zinc/16/03/51/794160351.db2.gz ZHHCICHFTGJVOE-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528984 794232064 /nfs/dbraw/zinc/23/20/64/794232064.db2.gz OSNQGZVORGJASJ-HNNXBMFYSA-N 2 1 306.454 2.457 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175573943 794245179 /nfs/dbraw/zinc/24/51/79/794245179.db2.gz RPSUSQCUGYEMLS-DLBZAZTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754481 794497277 /nfs/dbraw/zinc/49/72/77/794497277.db2.gz WQIOIUPOLQIELC-AWEZNQCLSA-N 2 1 303.878 2.344 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009733 794544551 /nfs/dbraw/zinc/54/45/51/794544551.db2.gz RAHSKHIAACKAPP-WMZOPIPTSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009733 794544554 /nfs/dbraw/zinc/54/45/54/794544554.db2.gz RAHSKHIAACKAPP-WMZOPIPTSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009733 794544562 /nfs/dbraw/zinc/54/45/62/794544562.db2.gz RAHSKHIAACKAPP-WMZOPIPTSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484315 794680060 /nfs/dbraw/zinc/68/00/60/794680060.db2.gz BDMJBUMJLKVJBU-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477629 794689915 /nfs/dbraw/zinc/68/99/15/794689915.db2.gz JSNXINBLKNSZRP-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483573 794936182 /nfs/dbraw/zinc/93/61/82/794936182.db2.gz DXLFMXJFFBUPFE-ROUUACIJSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878382 795019416 /nfs/dbraw/zinc/01/94/16/795019416.db2.gz SLUYRHVZLYPHPH-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180373041 795292973 /nfs/dbraw/zinc/29/29/73/795292973.db2.gz OTBGOPCMDQJIPB-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nn1 ZINC001120072552 795402687 /nfs/dbraw/zinc/40/26/87/795402687.db2.gz WVDIGANULVNDBQ-UXLLHSPISA-N 2 1 303.454 2.016 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430149 795458867 /nfs/dbraw/zinc/45/88/67/795458867.db2.gz IPACKNQCANATDL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440632 795460891 /nfs/dbraw/zinc/46/08/91/795460891.db2.gz QBVBEGJRMOQQCW-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440632 795460896 /nfs/dbraw/zinc/46/08/96/795460896.db2.gz QBVBEGJRMOQQCW-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440632 795460900 /nfs/dbraw/zinc/46/09/00/795460900.db2.gz QBVBEGJRMOQQCW-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124836 795607435 /nfs/dbraw/zinc/60/74/35/795607435.db2.gz DCZKRBCDPOCYMO-CRAIPNDOSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772896 795685875 /nfs/dbraw/zinc/68/58/75/795685875.db2.gz JYUKRBNOGWPBGS-DKVCYUOUSA-N 2 1 319.493 2.167 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121791344 795687569 /nfs/dbraw/zinc/68/75/69/795687569.db2.gz NBFADLNHVRHOPG-UHFFFAOYSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623308 795713596 /nfs/dbraw/zinc/71/35/96/795713596.db2.gz HCPIQLWWBKCBGN-VQIMIIECSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183164859 795824248 /nfs/dbraw/zinc/82/42/48/795824248.db2.gz BZIKGVIKTNBHCC-ZHALLVOQSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185316930 796228325 /nfs/dbraw/zinc/22/83/25/796228325.db2.gz KVCCPHQZFDPJID-ZWKOTPCHSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185546399 796288509 /nfs/dbraw/zinc/28/85/09/796288509.db2.gz BLWAMPYJTQQCLO-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185680954 796308454 /nfs/dbraw/zinc/30/84/54/796308454.db2.gz HRBBOMZAOATJRB-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169284 796530940 /nfs/dbraw/zinc/53/09/40/796530940.db2.gz RMLVOJZLNNLRMP-HZPDHXFCSA-N 2 1 316.449 2.175 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187851045 796589048 /nfs/dbraw/zinc/58/90/48/796589048.db2.gz MQVGYNISQZYTFS-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149209 796938955 /nfs/dbraw/zinc/93/89/55/796938955.db2.gz URLJGLUXVLBIRI-OKZBNKHCSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149209 796938959 /nfs/dbraw/zinc/93/89/59/796938959.db2.gz URLJGLUXVLBIRI-OKZBNKHCSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149209 796938965 /nfs/dbraw/zinc/93/89/65/796938965.db2.gz URLJGLUXVLBIRI-OKZBNKHCSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190149210 796939453 /nfs/dbraw/zinc/93/94/53/796939453.db2.gz URLJGLUXVLBIRI-RCCFBDPRSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190149210 796939457 /nfs/dbraw/zinc/93/94/57/796939457.db2.gz URLJGLUXVLBIRI-RCCFBDPRSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190149210 796939459 /nfs/dbraw/zinc/93/94/59/796939459.db2.gz URLJGLUXVLBIRI-RCCFBDPRSA-N 2 1 321.509 2.441 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(CC)CC)C1 ZINC001190724165 797063091 /nfs/dbraw/zinc/06/30/91/797063091.db2.gz JIGBNZFWUPMPIU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190724165 797063098 /nfs/dbraw/zinc/06/30/98/797063098.db2.gz JIGBNZFWUPMPIU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001190724165 797063106 /nfs/dbraw/zinc/06/31/06/797063106.db2.gz JIGBNZFWUPMPIU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001190724165 797063113 /nfs/dbraw/zinc/06/31/13/797063113.db2.gz JIGBNZFWUPMPIU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671001 797428420 /nfs/dbraw/zinc/42/84/20/797428420.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671001 797428425 /nfs/dbraw/zinc/42/84/25/797428425.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671001 797428427 /nfs/dbraw/zinc/42/84/27/797428427.db2.gz DKKGWACKFKGWBQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275753 797697216 /nfs/dbraw/zinc/69/72/16/797697216.db2.gz YFGGXVCSGIGYES-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246900 797699602 /nfs/dbraw/zinc/69/96/02/797699602.db2.gz SSGGJEPXIZWYQT-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155621836 797807408 /nfs/dbraw/zinc/80/74/08/797807408.db2.gz PPJPOMNKQYFVJH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155621836 797807414 /nfs/dbraw/zinc/80/74/14/797807414.db2.gz PPJPOMNKQYFVJH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155621836 797807421 /nfs/dbraw/zinc/80/74/21/797807421.db2.gz PPJPOMNKQYFVJH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C[N@H+]1CCC[C@H](CCNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156381990 797988951 /nfs/dbraw/zinc/98/89/51/797988951.db2.gz YZHDNKYTPQKLEG-CQSZACIVSA-N 2 1 313.449 2.133 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158396528 798399746 /nfs/dbraw/zinc/39/97/46/798399746.db2.gz AGSHGRMKCKGITN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158396528 798399753 /nfs/dbraw/zinc/39/97/53/798399753.db2.gz AGSHGRMKCKGITN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158396528 798399761 /nfs/dbraw/zinc/39/97/61/798399761.db2.gz AGSHGRMKCKGITN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158474228 798412792 /nfs/dbraw/zinc/41/27/92/798412792.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474228 798412796 /nfs/dbraw/zinc/41/27/96/798412796.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474228 798412798 /nfs/dbraw/zinc/41/27/98/798412798.db2.gz TWKUJKLACSQEJX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914653 798489256 /nfs/dbraw/zinc/48/92/56/798489256.db2.gz QNSLAAJKRZSCDT-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159838440 798616631 /nfs/dbraw/zinc/61/66/31/798616631.db2.gz MPLDSDJPUXSYNC-SJORKVTESA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159926063 798627195 /nfs/dbraw/zinc/62/71/95/798627195.db2.gz ZGRLEFAOZNEZMW-LSDHHAIUSA-N 2 1 304.438 2.211 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577801 798652959 /nfs/dbraw/zinc/65/29/59/798652959.db2.gz HHSBIWZDXSVTRP-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578165 798653102 /nfs/dbraw/zinc/65/31/02/798653102.db2.gz NEKPXMFPAFFBAD-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175237 798657968 /nfs/dbraw/zinc/65/79/68/798657968.db2.gz HYODEWOJXBUHME-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175237 798657972 /nfs/dbraw/zinc/65/79/72/798657972.db2.gz HYODEWOJXBUHME-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175237 798657980 /nfs/dbraw/zinc/65/79/80/798657980.db2.gz HYODEWOJXBUHME-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360646 798679132 /nfs/dbraw/zinc/67/91/32/798679132.db2.gz UFNHKSZIPONBRI-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360646 798679136 /nfs/dbraw/zinc/67/91/36/798679136.db2.gz UFNHKSZIPONBRI-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360646 798679139 /nfs/dbraw/zinc/67/91/39/798679139.db2.gz UFNHKSZIPONBRI-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC)CC1 ZINC001160386092 798682558 /nfs/dbraw/zinc/68/25/58/798682558.db2.gz HFFGSFRFSJALNT-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160386092 798682562 /nfs/dbraw/zinc/68/25/62/798682562.db2.gz HFFGSFRFSJALNT-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC)CC1 ZINC001160386092 798682566 /nfs/dbraw/zinc/68/25/66/798682566.db2.gz HFFGSFRFSJALNT-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCC)CC1 ZINC001160386092 798682570 /nfs/dbraw/zinc/68/25/70/798682570.db2.gz HFFGSFRFSJALNT-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400379 798683356 /nfs/dbraw/zinc/68/33/56/798683356.db2.gz PADGGBNBHNYZGS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400379 798683359 /nfs/dbraw/zinc/68/33/59/798683359.db2.gz PADGGBNBHNYZGS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400379 798683364 /nfs/dbraw/zinc/68/33/64/798683364.db2.gz PADGGBNBHNYZGS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#N)c(C)c1Cl ZINC001160511117 798697531 /nfs/dbraw/zinc/69/75/31/798697531.db2.gz LMDGUNOUDVLFTC-MRXNPFEDSA-N 2 1 319.840 2.059 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c12 ZINC001160745300 798734772 /nfs/dbraw/zinc/73/47/72/798734772.db2.gz VUTYNIQLTODSLA-UWVGGRQHSA-N 2 1 309.295 2.387 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161021634 798781802 /nfs/dbraw/zinc/78/18/02/798781802.db2.gz RZVTZMAIYHTXBW-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219501 798812647 /nfs/dbraw/zinc/81/26/47/798812647.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219501 798812651 /nfs/dbraw/zinc/81/26/51/798812651.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219501 798812655 /nfs/dbraw/zinc/81/26/55/798812655.db2.gz IHWFBSLPJJYADQ-UHFFFAOYSA-N 2 1 307.482 2.289 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163821757 799440554 /nfs/dbraw/zinc/44/05/54/799440554.db2.gz OZSJGJQBFFONFL-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525552 799648208 /nfs/dbraw/zinc/64/82/08/799648208.db2.gz WNXHEWLZSRATCD-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525552 799648215 /nfs/dbraw/zinc/64/82/15/799648215.db2.gz WNXHEWLZSRATCD-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525552 799648220 /nfs/dbraw/zinc/64/82/20/799648220.db2.gz WNXHEWLZSRATCD-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334038 799706941 /nfs/dbraw/zinc/70/69/41/799706941.db2.gz UWQXBNICFHVGIO-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111030815 799839022 /nfs/dbraw/zinc/83/90/22/799839022.db2.gz DYBCGHMXFNQGSQ-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030815 799839028 /nfs/dbraw/zinc/83/90/28/799839028.db2.gz DYBCGHMXFNQGSQ-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111030815 799839034 /nfs/dbraw/zinc/83/90/34/799839034.db2.gz DYBCGHMXFNQGSQ-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633570 800095395 /nfs/dbraw/zinc/09/53/95/800095395.db2.gz ZFHZBQIWRJILKA-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1OC ZINC001205558101 800376964 /nfs/dbraw/zinc/37/69/64/800376964.db2.gz BVDKEQDLXRVPLH-SFHVURJKSA-N 2 1 320.408 2.360 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547534 800552774 /nfs/dbraw/zinc/55/27/74/800552774.db2.gz HIQGHBLNDNKYRJ-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952219 800640081 /nfs/dbraw/zinc/64/00/81/800640081.db2.gz DSQNWKYSSICFRR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208677142 801045724 /nfs/dbraw/zinc/04/57/24/801045724.db2.gz VRDQMDVTQDYEPS-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208677142 801045729 /nfs/dbraw/zinc/04/57/29/801045729.db2.gz VRDQMDVTQDYEPS-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001209451681 801194065 /nfs/dbraw/zinc/19/40/65/801194065.db2.gz NQRKFQUJDRWBPK-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001209451681 801194069 /nfs/dbraw/zinc/19/40/69/801194069.db2.gz NQRKFQUJDRWBPK-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262905 801378103 /nfs/dbraw/zinc/37/81/03/801378103.db2.gz XMRCGOKMBXLZSV-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591957 801430313 /nfs/dbraw/zinc/43/03/13/801430313.db2.gz NRQVMBQYSXSWPL-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256382 801537106 /nfs/dbraw/zinc/53/71/06/801537106.db2.gz FDWKTPCVNBZRDD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211257310 801537128 /nfs/dbraw/zinc/53/71/28/801537128.db2.gz QJOPJWYFIJBTST-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780068 801758080 /nfs/dbraw/zinc/75/80/80/801758080.db2.gz JLSNBNDDBAZCDP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215558708 801877929 /nfs/dbraw/zinc/87/79/29/801877929.db2.gz ZACBWAPCQITMSR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216324207 801962791 /nfs/dbraw/zinc/96/27/91/801962791.db2.gz QRCUCPITMKUOSK-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344749 802358481 /nfs/dbraw/zinc/35/84/81/802358481.db2.gz CRKWVSHSTSPBKC-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016501 802632497 /nfs/dbraw/zinc/63/24/97/802632497.db2.gz NJGMZAJYSHCJBZ-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCCCCC[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222514946 802700080 /nfs/dbraw/zinc/70/00/80/802700080.db2.gz FFSNHIZQWYGRMC-UHFFFAOYSA-N 2 1 307.482 2.457 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001223446647 802791099 /nfs/dbraw/zinc/79/10/99/802791099.db2.gz OHCAWKDICPILQT-FGTMMUONSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001223611080 802804119 /nfs/dbraw/zinc/80/41/19/802804119.db2.gz NPTCKBDTNTUOLM-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001226765824 803155541 /nfs/dbraw/zinc/15/55/41/803155541.db2.gz FUXYODGAJWOCOI-KZNAEPCWSA-N 2 1 319.493 2.290 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227308470 803229439 /nfs/dbraw/zinc/22/94/39/803229439.db2.gz WYSUFGCZVODBPO-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001330662760 1149239141 /nfs/dbraw/zinc/23/91/41/1149239141.db2.gz SIQQBVQVJYMUBM-SHTZXODSSA-N 2 1 304.438 2.067 20 30 DEEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331297434 1149413594 /nfs/dbraw/zinc/41/35/94/1149413594.db2.gz RLALZYQQSDDUBI-KRWDZBQOSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001479815363 1150823368 /nfs/dbraw/zinc/82/33/68/1150823368.db2.gz HLZLOCQFSPKDCB-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001479815363 1150823370 /nfs/dbraw/zinc/82/33/70/1150823370.db2.gz HLZLOCQFSPKDCB-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616957 1058194147 /nfs/dbraw/zinc/19/41/47/1058194147.db2.gz WEZPFVFJIJEKJC-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616957 1058194152 /nfs/dbraw/zinc/19/41/52/1058194152.db2.gz WEZPFVFJIJEKJC-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616957 1058194158 /nfs/dbraw/zinc/19/41/58/1058194158.db2.gz WEZPFVFJIJEKJC-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616957 1058194163 /nfs/dbraw/zinc/19/41/63/1058194163.db2.gz WEZPFVFJIJEKJC-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001500111553 1058497950 /nfs/dbraw/zinc/49/79/50/1058497950.db2.gz QRGZGRUTBNFULK-NVXWUHKLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500505032 1058864710 /nfs/dbraw/zinc/86/47/10/1058864710.db2.gz HSIDFXGMTQECEO-QGZVFWFLSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001501396103 1059488795 /nfs/dbraw/zinc/48/87/95/1059488795.db2.gz SRLLIGOTUXXXJB-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001501396103 1059488806 /nfs/dbraw/zinc/48/88/06/1059488806.db2.gz SRLLIGOTUXXXJB-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001501396103 1059488818 /nfs/dbraw/zinc/48/88/18/1059488818.db2.gz SRLLIGOTUXXXJB-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C\CC)CCC1 ZINC001501964136 1059816641 /nfs/dbraw/zinc/81/66/41/1059816641.db2.gz GJFGDDBBSMWMLS-OSJSJHBBSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C\CC)CCC1 ZINC001501964136 1059816671 /nfs/dbraw/zinc/81/66/71/1059816671.db2.gz GJFGDDBBSMWMLS-OSJSJHBBSA-N 2 1 317.477 2.069 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001502496432 1060152467 /nfs/dbraw/zinc/15/24/67/1060152467.db2.gz UBLCWUVJOHRIFO-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1 ZINC001505501778 1060662064 /nfs/dbraw/zinc/66/20/64/1060662064.db2.gz JDFSVQQLOQSMKA-JCYILVPMSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1 ZINC001505501778 1060662071 /nfs/dbraw/zinc/66/20/71/1060662071.db2.gz JDFSVQQLOQSMKA-JCYILVPMSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001479370662 1061419984 /nfs/dbraw/zinc/41/99/84/1061419984.db2.gz QKIHJGGKPQVYCE-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001506489110 1062036033 /nfs/dbraw/zinc/03/60/33/1062036033.db2.gz OHYQXZFXOCNCAQ-ZWKOTPCHSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190211 1062442153 /nfs/dbraw/zinc/44/21/53/1062442153.db2.gz YIAKRDJHJSTTOD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190211 1062442164 /nfs/dbraw/zinc/44/21/64/1062442164.db2.gz YIAKRDJHJSTTOD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190211 1062442167 /nfs/dbraw/zinc/44/21/67/1062442167.db2.gz YIAKRDJHJSTTOD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001506892451 1062478232 /nfs/dbraw/zinc/47/82/32/1062478232.db2.gz URWMABOXCZKIAJ-BQFCYCMXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334634 1062671944 /nfs/dbraw/zinc/67/19/44/1062671944.db2.gz GDVYKGGQBXSMLA-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480362794 1062715526 /nfs/dbraw/zinc/71/55/26/1062715526.db2.gz MVQJVZPMOKJDAM-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480385893 1062771767 /nfs/dbraw/zinc/77/17/67/1062771767.db2.gz FSPJMRHLBOXTFB-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385893 1062771785 /nfs/dbraw/zinc/77/17/85/1062771785.db2.gz FSPJMRHLBOXTFB-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385893 1062771803 /nfs/dbraw/zinc/77/18/03/1062771803.db2.gz FSPJMRHLBOXTFB-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001507124918 1062880278 /nfs/dbraw/zinc/88/02/78/1062880278.db2.gz FQSAZJRHLHOCJH-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480738532 1063278128 /nfs/dbraw/zinc/27/81/28/1063278128.db2.gz GJOKZNPEJNPFBF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480738532 1063278149 /nfs/dbraw/zinc/27/81/49/1063278149.db2.gz GJOKZNPEJNPFBF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480738532 1063278163 /nfs/dbraw/zinc/27/81/63/1063278163.db2.gz GJOKZNPEJNPFBF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001507969312 1063484463 /nfs/dbraw/zinc/48/44/63/1063484463.db2.gz GIZQGDFPWMNOHV-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1C)C(C)(C)C ZINC001508032700 1063506089 /nfs/dbraw/zinc/50/60/89/1063506089.db2.gz QIGCJJUKLYZQHH-MRXNPFEDSA-N 2 1 318.465 2.116 20 30 DEEDMP C=CCC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001493863414 1064000148 /nfs/dbraw/zinc/00/01/48/1064000148.db2.gz UVVZFSRQDZZIOP-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001494041543 1064098343 /nfs/dbraw/zinc/09/83/43/1064098343.db2.gz AYOAAOJBOVIVDG-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494041543 1064098352 /nfs/dbraw/zinc/09/83/52/1064098352.db2.gz AYOAAOJBOVIVDG-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494041543 1064098356 /nfs/dbraw/zinc/09/83/56/1064098356.db2.gz AYOAAOJBOVIVDG-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567419230 1064191974 /nfs/dbraw/zinc/19/19/74/1064191974.db2.gz KKOKSWDPAPYZLX-DLBZAZTESA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567419230 1064191977 /nfs/dbraw/zinc/19/19/77/1064191977.db2.gz KKOKSWDPAPYZLX-DLBZAZTESA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567419230 1064191981 /nfs/dbraw/zinc/19/19/81/1064191981.db2.gz KKOKSWDPAPYZLX-DLBZAZTESA-N 2 1 309.498 2.347 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001567445475 1064203154 /nfs/dbraw/zinc/20/31/54/1064203154.db2.gz ZZQPUMIOZISHRA-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001567445475 1064203163 /nfs/dbraw/zinc/20/31/63/1064203163.db2.gz ZZQPUMIOZISHRA-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001567445475 1064203173 /nfs/dbraw/zinc/20/31/73/1064203173.db2.gz ZZQPUMIOZISHRA-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001567628107 1064290049 /nfs/dbraw/zinc/29/00/49/1064290049.db2.gz JONBPKHJYPRDDM-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567830545 1064446865 /nfs/dbraw/zinc/44/68/65/1064446865.db2.gz SFYRTIJIJQHNMB-BHYGNILZSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCC)C1 ZINC001494830864 1064495276 /nfs/dbraw/zinc/49/52/76/1064495276.db2.gz SLXSEWQJTLHTTH-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001494830864 1064495286 /nfs/dbraw/zinc/49/52/86/1064495286.db2.gz SLXSEWQJTLHTTH-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCC)C1 ZINC001494830864 1064495296 /nfs/dbraw/zinc/49/52/96/1064495296.db2.gz SLXSEWQJTLHTTH-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCCCC)C1 ZINC001494830864 1064495314 /nfs/dbraw/zinc/49/53/14/1064495314.db2.gz SLXSEWQJTLHTTH-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942163 1064545123 /nfs/dbraw/zinc/54/51/23/1064545123.db2.gz LFMZYVXYXAZWGQ-SJORKVTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902246 1064559163 /nfs/dbraw/zinc/55/91/63/1064559163.db2.gz URQGLJYFOMQGOH-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902246 1064559178 /nfs/dbraw/zinc/55/91/78/1064559178.db2.gz URQGLJYFOMQGOH-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001568122072 1064658487 /nfs/dbraw/zinc/65/84/87/1064658487.db2.gz ZMDAJYWHKBLLBD-UHFFFAOYSA-N 2 1 312.417 2.174 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001568277601 1064747608 /nfs/dbraw/zinc/74/76/08/1064747608.db2.gz BLPQJYSDQLVAMI-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001568277601 1064747621 /nfs/dbraw/zinc/74/76/21/1064747621.db2.gz BLPQJYSDQLVAMI-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568424571 1064861089 /nfs/dbraw/zinc/86/10/89/1064861089.db2.gz SOJUAPHWOQAWBL-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569203160 1065363966 /nfs/dbraw/zinc/36/39/66/1065363966.db2.gz OCBLNFAHUOLLTQ-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1CC ZINC001569340612 1065440235 /nfs/dbraw/zinc/44/02/35/1065440235.db2.gz OUOBBIJFPPSLFV-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569359569 1065455246 /nfs/dbraw/zinc/45/52/46/1065455246.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569359569 1065455251 /nfs/dbraw/zinc/45/52/51/1065455251.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569359569 1065455257 /nfs/dbraw/zinc/45/52/57/1065455257.db2.gz IIMMCTUWZVLTFV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436388 1065505880 /nfs/dbraw/zinc/50/58/80/1065505880.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436388 1065505893 /nfs/dbraw/zinc/50/58/93/1065505893.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436388 1065505903 /nfs/dbraw/zinc/50/59/03/1065505903.db2.gz HPXHBNAZPWQMGU-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001569442592 1065510527 /nfs/dbraw/zinc/51/05/27/1065510527.db2.gz AFSGAUAUAQNXLU-XYTVBORESA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCCCCC ZINC001569448454 1065513485 /nfs/dbraw/zinc/51/34/85/1065513485.db2.gz AHHRLBQWYFZFJE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC001569448454 1065513495 /nfs/dbraw/zinc/51/34/95/1065513495.db2.gz AHHRLBQWYFZFJE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001569448454 1065513506 /nfs/dbraw/zinc/51/35/06/1065513506.db2.gz AHHRLBQWYFZFJE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCCCCC ZINC001569448454 1065513513 /nfs/dbraw/zinc/51/35/13/1065513513.db2.gz AHHRLBQWYFZFJE-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001496509018 1065519277 /nfs/dbraw/zinc/51/92/77/1065519277.db2.gz KUOZWHPULCWHAE-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569651635 1065651727 /nfs/dbraw/zinc/65/17/27/1065651727.db2.gz UHBYQGUZXZQFEN-GOSISDBHSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001569724531 1065691192 /nfs/dbraw/zinc/69/11/92/1065691192.db2.gz YWZIESWGELQEHM-OALUTQOASA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001569724531 1065691195 /nfs/dbraw/zinc/69/11/95/1065691195.db2.gz YWZIESWGELQEHM-OALUTQOASA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001569724531 1065691200 /nfs/dbraw/zinc/69/12/00/1065691200.db2.gz YWZIESWGELQEHM-OALUTQOASA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001496862567 1065761145 /nfs/dbraw/zinc/76/11/45/1065761145.db2.gz KGEUWMFWPGSZHB-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570212039 1065974180 /nfs/dbraw/zinc/97/41/80/1065974180.db2.gz QHAADVSUEXWWNG-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498488548 1066740631 /nfs/dbraw/zinc/74/06/31/1066740631.db2.gz IHIKJSKGYQJVTG-CVEARBPZSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498488550 1066740797 /nfs/dbraw/zinc/74/07/97/1066740797.db2.gz IHIKJSKGYQJVTG-HOTGVXAUSA-N 2 1 309.498 2.415 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499523093 1067245220 /nfs/dbraw/zinc/24/52/20/1067245220.db2.gz ZMTUICNUPRKWTA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001499523093 1067245227 /nfs/dbraw/zinc/24/52/27/1067245227.db2.gz ZMTUICNUPRKWTA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCCCC1 ZINC001499523093 1067245232 /nfs/dbraw/zinc/24/52/32/1067245232.db2.gz ZMTUICNUPRKWTA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001499771313 1067329065 /nfs/dbraw/zinc/32/90/65/1067329065.db2.gz RVCFHNRNXRIOTO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267045157 1078524846 /nfs/dbraw/zinc/52/48/46/1078524846.db2.gz NNBOKRXIMQNDRE-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C#N)c1C ZINC001579934429 1067456704 /nfs/dbraw/zinc/45/67/04/1067456704.db2.gz SEHNMJDDMZXTCV-ZWNOBZJWSA-N 2 1 320.462 2.092 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001483565004 1078600847 /nfs/dbraw/zinc/60/08/47/1078600847.db2.gz ANHKYHFSJJEADQ-ZWKOTPCHSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550595 1068000994 /nfs/dbraw/zinc/00/09/94/1068000994.db2.gz BHTQUVOTAVDNGK-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001570834709 1068133897 /nfs/dbraw/zinc/13/38/97/1068133897.db2.gz HGCVBLWOXIZWFX-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571017377 1068174070 /nfs/dbraw/zinc/17/40/70/1068174070.db2.gz ZBKZLZQLPWPGPS-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001571049477 1068176870 /nfs/dbraw/zinc/17/68/70/1068176870.db2.gz UTIDATBQRZNKHM-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C#CCC[NH+](CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001267328092 1078767753 /nfs/dbraw/zinc/76/77/53/1078767753.db2.gz KUKASYOJLGSABN-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001267328092 1078767759 /nfs/dbraw/zinc/76/77/59/1078767759.db2.gz KUKASYOJLGSABN-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001267328092 1078767764 /nfs/dbraw/zinc/76/77/64/1078767764.db2.gz KUKASYOJLGSABN-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267466864 1078880389 /nfs/dbraw/zinc/88/03/89/1078880389.db2.gz SEZISVNFBJYENC-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267466864 1078880397 /nfs/dbraw/zinc/88/03/97/1078880397.db2.gz SEZISVNFBJYENC-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267466864 1078880405 /nfs/dbraw/zinc/88/04/05/1078880405.db2.gz SEZISVNFBJYENC-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001267488303 1078914031 /nfs/dbraw/zinc/91/40/31/1078914031.db2.gz ITGOIVICSQIDSP-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267566557 1079000353 /nfs/dbraw/zinc/00/03/53/1079000353.db2.gz GGSYRIKZIRRISN-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001649448956 1079124688 /nfs/dbraw/zinc/12/46/88/1079124688.db2.gz HFIYURRLBOZCRW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647231107 1074850985 /nfs/dbraw/zinc/85/09/85/1074850985.db2.gz IXIHXIFCIFRAPR-SJORKVTESA-N 2 1 314.433 2.349 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001566088787 1075227818 /nfs/dbraw/zinc/22/78/18/1075227818.db2.gz QKCXJLAIBJIZDU-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001566088787 1075227823 /nfs/dbraw/zinc/22/78/23/1075227823.db2.gz QKCXJLAIBJIZDU-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129400 1075234213 /nfs/dbraw/zinc/23/42/13/1075234213.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129400 1075234219 /nfs/dbraw/zinc/23/42/19/1075234219.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129400 1075234224 /nfs/dbraw/zinc/23/42/24/1075234224.db2.gz FRAYNEKLHSGADI-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689275 1079376439 /nfs/dbraw/zinc/37/64/39/1079376439.db2.gz CWCDEWVDNNEQHD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601055 1075294251 /nfs/dbraw/zinc/29/42/51/1075294251.db2.gz VIFSBCXYYOFHFJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955382 1075398841 /nfs/dbraw/zinc/39/88/41/1075398841.db2.gz LTVMFILLBCJNTL-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567016311 1075416531 /nfs/dbraw/zinc/41/65/31/1075416531.db2.gz FFGOSPJEJSOQAD-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001567240911 1075470910 /nfs/dbraw/zinc/47/09/10/1075470910.db2.gz RPPIMMHGWNAWLX-NVXWUHKLSA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267819095 1079514251 /nfs/dbraw/zinc/51/42/51/1079514251.db2.gz ASCBZAQACCSNDK-JKSUJKDBSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411105 1079597212 /nfs/dbraw/zinc/59/72/12/1079597212.db2.gz YZMBJUXCQIUDAW-ZACQAIPSSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001267944771 1079624167 /nfs/dbraw/zinc/62/41/67/1079624167.db2.gz LENGPFBGXMKKRX-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001481338931 1079733933 /nfs/dbraw/zinc/73/39/33/1079733933.db2.gz FHFPQYYIOLEJJS-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001481350704 1079744193 /nfs/dbraw/zinc/74/41/93/1079744193.db2.gz POLHPHAJGNVRQB-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001481350704 1079744204 /nfs/dbraw/zinc/74/42/04/1079744204.db2.gz POLHPHAJGNVRQB-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001481350704 1079744209 /nfs/dbraw/zinc/74/42/09/1079744209.db2.gz POLHPHAJGNVRQB-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001481350440 1079744861 /nfs/dbraw/zinc/74/48/61/1079744861.db2.gz KRHHVQXJHOFMMP-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001485044753 1079929101 /nfs/dbraw/zinc/92/91/01/1079929101.db2.gz AJGJJCARECITDS-IEBWSBKVSA-N 2 1 324.428 2.139 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485033303 1079930143 /nfs/dbraw/zinc/93/01/43/1079930143.db2.gz CNCASAKAXKJREL-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485067180 1079944479 /nfs/dbraw/zinc/94/44/79/1079944479.db2.gz IZMWMCCRRNOFST-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001485067180 1079944487 /nfs/dbraw/zinc/94/44/87/1079944487.db2.gz IZMWMCCRRNOFST-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001485067180 1079944492 /nfs/dbraw/zinc/94/44/92/1079944492.db2.gz IZMWMCCRRNOFST-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268082322 1080036326 /nfs/dbraw/zinc/03/63/26/1080036326.db2.gz VWSPWUUVMQKKHP-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001656198559 1080063398 /nfs/dbraw/zinc/06/33/98/1080063398.db2.gz VRWNMNQBHCTJBZ-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001656254043 1080072585 /nfs/dbraw/zinc/07/25/85/1080072585.db2.gz OWVZFGPYKUVPCN-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001268169961 1080158124 /nfs/dbraw/zinc/15/81/24/1080158124.db2.gz QJMQWYZNWYYIRG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001268169961 1080158129 /nfs/dbraw/zinc/15/81/29/1080158129.db2.gz QJMQWYZNWYYIRG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001268169961 1080158131 /nfs/dbraw/zinc/15/81/31/1080158131.db2.gz QJMQWYZNWYYIRG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485463552 1080231191 /nfs/dbraw/zinc/23/11/91/1080231191.db2.gz NUYUBYSTKWXWKY-RBSFLKMASA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585257 1080314892 /nfs/dbraw/zinc/31/48/92/1080314892.db2.gz KSBJQQHSYUQUPV-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001485628821 1080340997 /nfs/dbraw/zinc/34/09/97/1080340997.db2.gz MYECVVULCCJCGW-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001485628821 1080341002 /nfs/dbraw/zinc/34/10/02/1080341002.db2.gz MYECVVULCCJCGW-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001485628821 1080341005 /nfs/dbraw/zinc/34/10/05/1080341005.db2.gz MYECVVULCCJCGW-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001660740058 1080390080 /nfs/dbraw/zinc/39/00/80/1080390080.db2.gz TUHOQWMLADTAPX-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481742458 1080421227 /nfs/dbraw/zinc/42/12/27/1080421227.db2.gz DOHZRHDBCPKZPA-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661216476 1080459011 /nfs/dbraw/zinc/45/90/11/1080459011.db2.gz QTCCXLCBLLZVMH-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001661381981 1080475413 /nfs/dbraw/zinc/47/54/13/1080475413.db2.gz PHVHAJFCDNNPCZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001661381981 1080475415 /nfs/dbraw/zinc/47/54/15/1080475415.db2.gz PHVHAJFCDNNPCZ-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001661598523 1080498748 /nfs/dbraw/zinc/49/87/48/1080498748.db2.gz YCHCOJBQUREPRH-WCXIOVBPSA-N 2 1 307.482 2.451 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481990621 1080674461 /nfs/dbraw/zinc/67/44/61/1080674461.db2.gz BXBYHCOGLPKIGG-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663067801 1080695579 /nfs/dbraw/zinc/69/55/79/1080695579.db2.gz XRLXYBCFLKWKNY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663067801 1080695582 /nfs/dbraw/zinc/69/55/82/1080695582.db2.gz XRLXYBCFLKWKNY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663067801 1080695587 /nfs/dbraw/zinc/69/55/87/1080695587.db2.gz XRLXYBCFLKWKNY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268762401 1080972429 /nfs/dbraw/zinc/97/24/29/1080972429.db2.gz HWHLQPOSWDQJLM-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665596993 1081044577 /nfs/dbraw/zinc/04/45/77/1081044577.db2.gz AXHNYOQLMYSIRF-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001666314657 1081143146 /nfs/dbraw/zinc/14/31/46/1081143146.db2.gz JTWNAFSHEIFNOZ-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001667196882 1081222865 /nfs/dbraw/zinc/22/28/65/1081222865.db2.gz FIMICBZPKCAAAJ-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001667498152 1081258457 /nfs/dbraw/zinc/25/84/57/1081258457.db2.gz IORSDEWXCSBIGJ-IAGOWNOFSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001482222460 1081259912 /nfs/dbraw/zinc/25/99/12/1081259912.db2.gz LRBKJSKSPAYODY-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001269489274 1081263676 /nfs/dbraw/zinc/26/36/76/1081263676.db2.gz LVCMKTOFVBTHLZ-QGZVFWFLSA-N 2 1 311.445 2.013 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001667702116 1081276242 /nfs/dbraw/zinc/27/62/42/1081276242.db2.gz UIRXKIFBSKLXIF-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001667702116 1081276248 /nfs/dbraw/zinc/27/62/48/1081276248.db2.gz UIRXKIFBSKLXIF-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001667702119 1081276656 /nfs/dbraw/zinc/27/66/56/1081276656.db2.gz UIRXKIFBSKLXIF-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001667702119 1081276657 /nfs/dbraw/zinc/27/66/57/1081276657.db2.gz UIRXKIFBSKLXIF-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001668455035 1081357079 /nfs/dbraw/zinc/35/70/79/1081357079.db2.gz HGVNNGFKOFAVOP-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001669645182 1081461171 /nfs/dbraw/zinc/46/11/71/1081461171.db2.gz PUPOVKSAHAEFJC-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001671541850 1081521952 /nfs/dbraw/zinc/52/19/52/1081521952.db2.gz NPBULPKSAYLKLD-MRXNPFEDSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001672315326 1081582971 /nfs/dbraw/zinc/58/29/71/1081582971.db2.gz KENUHARKEBJPOA-JKSUJKDBSA-N 2 1 309.498 2.225 20 30 DEEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001672814990 1081629361 /nfs/dbraw/zinc/62/93/61/1081629361.db2.gz CLAVMUCAIOUAGJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001270784828 1081712023 /nfs/dbraw/zinc/71/20/23/1081712023.db2.gz FZLPJWHREPFQKE-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271007183 1081873398 /nfs/dbraw/zinc/87/33/98/1081873398.db2.gz KITAVQDALPGEED-FUHWJXTLSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001271021106 1081879275 /nfs/dbraw/zinc/87/92/75/1081879275.db2.gz IOOVLGFRPTUEQU-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482451248 1081889011 /nfs/dbraw/zinc/88/90/11/1081889011.db2.gz STHCWQJUKIXZIB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001271052395 1081889353 /nfs/dbraw/zinc/88/93/53/1081889353.db2.gz ULHVPBYBCWTLCY-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001266247505 1081915634 /nfs/dbraw/zinc/91/56/34/1081915634.db2.gz NAKFMORQWFSODA-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251638 1081916757 /nfs/dbraw/zinc/91/67/57/1081916757.db2.gz DTNNUOAYKIEJPF-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C/CC ZINC001266468383 1082056350 /nfs/dbraw/zinc/05/63/50/1082056350.db2.gz PDTSCSMJSZLBBO-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271646714 1082099318 /nfs/dbraw/zinc/09/93/18/1082099318.db2.gz YPTSCSMGNRQVDA-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271790160 1082155287 /nfs/dbraw/zinc/15/52/87/1082155287.db2.gz HHUHJDJWSGDQAO-SFHVURJKSA-N 2 1 321.509 2.156 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001271954297 1082206627 /nfs/dbraw/zinc/20/66/27/1082206627.db2.gz VEBPDXDGAQKYJT-FUHWJXTLSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617670 1082219935 /nfs/dbraw/zinc/21/99/35/1082219935.db2.gz SCBGIOYXXQFPQX-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001266663230 1082257430 /nfs/dbraw/zinc/25/74/30/1082257430.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663230 1082257437 /nfs/dbraw/zinc/25/74/37/1082257437.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663230 1082257444 /nfs/dbraw/zinc/25/74/44/1082257444.db2.gz MACCQBQKZYIJJC-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001670729558 1082276253 /nfs/dbraw/zinc/27/62/53/1082276253.db2.gz LFBCJTYSUWENKK-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001670729558 1082276259 /nfs/dbraw/zinc/27/62/59/1082276259.db2.gz LFBCJTYSUWENKK-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001670729558 1082276267 /nfs/dbraw/zinc/27/62/67/1082276267.db2.gz LFBCJTYSUWENKK-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001670729558 1082276273 /nfs/dbraw/zinc/27/62/73/1082276273.db2.gz LFBCJTYSUWENKK-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001266728965 1082307183 /nfs/dbraw/zinc/30/71/83/1082307183.db2.gz ROBZXTPVOAPBHT-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001266728965 1082307190 /nfs/dbraw/zinc/30/71/90/1082307190.db2.gz ROBZXTPVOAPBHT-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001272075690 1082399970 /nfs/dbraw/zinc/39/99/70/1082399970.db2.gz MYKPKWPZUABXOT-UHFFFAOYSA-N 2 1 317.477 2.371 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001482954846 1082575988 /nfs/dbraw/zinc/57/59/88/1082575988.db2.gz QMBHMWOTAQTLRI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001482954843 1082576032 /nfs/dbraw/zinc/57/60/32/1082576032.db2.gz QMBHMWOTAQTLRI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001496869328 1083058955 /nfs/dbraw/zinc/05/89/55/1083058955.db2.gz PQEVOVVSILSPEH-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001496869328 1083058957 /nfs/dbraw/zinc/05/89/57/1083058957.db2.gz PQEVOVVSILSPEH-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001496869328 1083058959 /nfs/dbraw/zinc/05/89/59/1083058959.db2.gz PQEVOVVSILSPEH-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436861 1083394049 /nfs/dbraw/zinc/39/40/49/1083394049.db2.gz VHHDUUCIGWBIQX-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309428 1083553576 /nfs/dbraw/zinc/55/35/76/1083553576.db2.gz DSRCATDZAPALHO-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309428 1083553588 /nfs/dbraw/zinc/55/35/88/1083553588.db2.gz DSRCATDZAPALHO-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276839594 1083640502 /nfs/dbraw/zinc/64/05/02/1083640502.db2.gz KQEMCDAZUDDWKU-OKZBNKHCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339364 1083947331 /nfs/dbraw/zinc/94/73/31/1083947331.db2.gz HTLBMCCXQGPXRK-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339364 1083947337 /nfs/dbraw/zinc/94/73/37/1083947337.db2.gz HTLBMCCXQGPXRK-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001670939285 1084157418 /nfs/dbraw/zinc/15/74/18/1084157418.db2.gz BXYKLEBSGOMNHZ-ALOPSCKCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001277826317 1084163784 /nfs/dbraw/zinc/16/37/84/1084163784.db2.gz MFUFVNRKQZSURI-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001670965489 1084173543 /nfs/dbraw/zinc/17/35/43/1084173543.db2.gz YJJVFEYKDHQMCD-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC=C(C)C ZINC001491252438 1084183140 /nfs/dbraw/zinc/18/31/40/1084183140.db2.gz OBUMBYQINZPOIF-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC=C(C)C ZINC001491252438 1084183144 /nfs/dbraw/zinc/18/31/44/1084183144.db2.gz OBUMBYQINZPOIF-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001491260572 1084188880 /nfs/dbraw/zinc/18/88/80/1084188880.db2.gz ROQJNEGHUGNIQH-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCCC#N)n(C)n1 ZINC001277945142 1084430073 /nfs/dbraw/zinc/43/00/73/1084430073.db2.gz NZMJFHUBEPMZNC-MQVJKMGUSA-N 2 1 301.438 2.117 20 30 DEEDMP C=CC[NH+]1CCc2c(CNC(=O)C[N@H+](C)C(C)C)cccc2C1 ZINC001272916642 1084469743 /nfs/dbraw/zinc/46/97/43/1084469743.db2.gz FJCFEHZWXIZOEF-UHFFFAOYSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CC[N@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001272916642 1084469752 /nfs/dbraw/zinc/46/97/52/1084469752.db2.gz FJCFEHZWXIZOEF-UHFFFAOYSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001272916642 1084469757 /nfs/dbraw/zinc/46/97/57/1084469757.db2.gz FJCFEHZWXIZOEF-UHFFFAOYSA-N 2 1 315.461 2.187 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181952 1085110005 /nfs/dbraw/zinc/11/00/05/1085110005.db2.gz WBEZPJAPZYUICM-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018389 1085978367 /nfs/dbraw/zinc/97/83/67/1085978367.db2.gz KAKORCIURKJMOY-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000957645311 1088492223 /nfs/dbraw/zinc/49/22/23/1088492223.db2.gz XAONLBWTMRNPHB-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644807 1088492865 /nfs/dbraw/zinc/49/28/65/1088492865.db2.gz IQOCUYIFUBQRQM-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852104 1090090077 /nfs/dbraw/zinc/09/00/77/1090090077.db2.gz TYZDEXQVBYGGMO-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599741 1090342994 /nfs/dbraw/zinc/34/29/94/1090342994.db2.gz WUORQLXUCJCBKX-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599741 1090343003 /nfs/dbraw/zinc/34/30/03/1090343003.db2.gz WUORQLXUCJCBKX-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599741 1090343007 /nfs/dbraw/zinc/34/30/07/1090343007.db2.gz WUORQLXUCJCBKX-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614224 1090350372 /nfs/dbraw/zinc/35/03/72/1090350372.db2.gz KWWYPANPMGERQU-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614224 1090350379 /nfs/dbraw/zinc/35/03/79/1090350379.db2.gz KWWYPANPMGERQU-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852934 1090476539 /nfs/dbraw/zinc/47/65/39/1090476539.db2.gz UFSSWOHSRZZOMH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852934 1090476541 /nfs/dbraw/zinc/47/65/41/1090476541.db2.gz UFSSWOHSRZZOMH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852934 1090476545 /nfs/dbraw/zinc/47/65/45/1090476545.db2.gz UFSSWOHSRZZOMH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010132 1090620759 /nfs/dbraw/zinc/62/07/59/1090620759.db2.gz NLHNSROELYEBDZ-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241345 /nfs/dbraw/zinc/24/13/45/1091241345.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241351 /nfs/dbraw/zinc/24/13/51/1091241351.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434111 1091241359 /nfs/dbraw/zinc/24/13/59/1091241359.db2.gz BIYQYOGFXDZJHK-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275042358 1091528160 /nfs/dbraw/zinc/52/81/60/1091528160.db2.gz IKPYNYMIGZHEOR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001275183234 1091605253 /nfs/dbraw/zinc/60/52/53/1091605253.db2.gz DIPCVWYHNYUCPM-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183234 1091605260 /nfs/dbraw/zinc/60/52/60/1091605260.db2.gz DIPCVWYHNYUCPM-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183234 1091605264 /nfs/dbraw/zinc/60/52/64/1091605264.db2.gz DIPCVWYHNYUCPM-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001276261442 1091752858 /nfs/dbraw/zinc/75/28/58/1091752858.db2.gz GYKJZEQQYURNNF-ULQDDVLXSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001273447355 1091767164 /nfs/dbraw/zinc/76/71/64/1091767164.db2.gz WNGYAMIJGGRWTM-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001273459176 1091788876 /nfs/dbraw/zinc/78/88/76/1091788876.db2.gz ZNLUCFSJARJFQG-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001273559880 1091922466 /nfs/dbraw/zinc/92/24/66/1091922466.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001273559880 1091922471 /nfs/dbraw/zinc/92/24/71/1091922471.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273559880 1091922484 /nfs/dbraw/zinc/92/24/84/1091922484.db2.gz FODLDYRUQFWQSV-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928019 1092332258 /nfs/dbraw/zinc/33/22/58/1092332258.db2.gz CDJWJMUKXKHVQC-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928019 1092332273 /nfs/dbraw/zinc/33/22/73/1092332273.db2.gz CDJWJMUKXKHVQC-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCOc1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001275960211 1092380027 /nfs/dbraw/zinc/38/00/27/1092380027.db2.gz QGRSDXRQJVURML-UHFFFAOYSA-N 2 1 315.461 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001489118971 1092929298 /nfs/dbraw/zinc/92/92/98/1092929298.db2.gz UKRMQMKFKABKAZ-HRCADAONSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001489232724 1092998724 /nfs/dbraw/zinc/99/87/24/1092998724.db2.gz JASAAJNQYUVMGE-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001489327404 1093020990 /nfs/dbraw/zinc/02/09/90/1093020990.db2.gz ZKYNNKOIRVBILG-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490282398 1093274695 /nfs/dbraw/zinc/27/46/95/1093274695.db2.gz VTGZYIDPURYQKS-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001490282398 1093274701 /nfs/dbraw/zinc/27/47/01/1093274701.db2.gz VTGZYIDPURYQKS-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001490700553 1093493316 /nfs/dbraw/zinc/49/33/16/1093493316.db2.gz UIYFTHUQURATAR-ROUUACIJSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318445551 1140331800 /nfs/dbraw/zinc/33/18/00/1140331800.db2.gz NBCLFJJDEXKYPK-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001319008341 1140489913 /nfs/dbraw/zinc/48/99/13/1140489913.db2.gz BGRMTVQBTNTWJV-SFHVURJKSA-N 2 1 315.461 2.310 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001319020512 1140492224 /nfs/dbraw/zinc/49/22/24/1140492224.db2.gz FHMXLCBBBGGAFS-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019838 1140847625 /nfs/dbraw/zinc/84/76/25/1140847625.db2.gz ATEPDJTWKZZLRR-SQNIBIBYSA-N 2 1 311.514 2.124 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024267 1140849207 /nfs/dbraw/zinc/84/92/07/1140849207.db2.gz HDLGVFAUGWMFKU-KZNAEPCWSA-N 2 1 312.498 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320839974 1140947988 /nfs/dbraw/zinc/94/79/88/1140947988.db2.gz GORXPCSFTCGMLL-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP N#CC1(c2ccccc2)CCC(N2CC[NH2+]C[C@]23CC[NH2+]C3)CC1 ZINC001246632079 1141013101 /nfs/dbraw/zinc/01/31/01/1141013101.db2.gz UGPWMSZDHSDDLW-SOAGJPPSSA-N 2 1 324.472 2.028 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278468088 1141080208 /nfs/dbraw/zinc/08/02/08/1141080208.db2.gz XGZNPHROCXCUIJ-SOLBZPMBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001278495855 1141647084 /nfs/dbraw/zinc/64/70/84/1141647084.db2.gz WLOCNCWWNXEDAQ-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001278496204 1141651356 /nfs/dbraw/zinc/65/13/56/1141651356.db2.gz YNFIHHUURUMKGU-IXDOHACOSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001322662320 1141670509 /nfs/dbraw/zinc/67/05/09/1141670509.db2.gz OCVHFHZKSGOYRD-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001322693654 1141687744 /nfs/dbraw/zinc/68/77/44/1141687744.db2.gz IVESIYDUEZDHEF-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP N#Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248895735 1141831584 /nfs/dbraw/zinc/83/15/84/1141831584.db2.gz IAFAXAYSDHZGDQ-AWEZNQCLSA-N 2 1 315.352 2.137 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323722649 1141880979 /nfs/dbraw/zinc/88/09/79/1141880979.db2.gz QXQSJEZHRDOOJW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722649 1141880980 /nfs/dbraw/zinc/88/09/80/1141880980.db2.gz QXQSJEZHRDOOJW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722649 1141880981 /nfs/dbraw/zinc/88/09/81/1141880981.db2.gz QXQSJEZHRDOOJW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324439482 1142076744 /nfs/dbraw/zinc/07/67/44/1142076744.db2.gz JDQNDBFCXGDZEB-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCC(C)C)CC1 ZINC001324440251 1142078263 /nfs/dbraw/zinc/07/82/63/1142078263.db2.gz CARVDYJXUBRUQF-UHFFFAOYSA-N 2 1 321.509 2.299 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001324498805 1142088979 /nfs/dbraw/zinc/08/89/79/1142088979.db2.gz XKVKGPJJUKBVMF-QGZVFWFLSA-N 2 1 321.509 2.252 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001278673805 1142774132 /nfs/dbraw/zinc/77/41/32/1142774132.db2.gz VWIUQVXCRNOPFH-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC001338492612 1142859585 /nfs/dbraw/zinc/85/95/85/1142859585.db2.gz VISPLEAAFHKHGA-QFBILLFUSA-N 2 1 300.446 2.228 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001278963064 1143866484 /nfs/dbraw/zinc/86/64/84/1143866484.db2.gz WHLYRHWQKWFQOT-HOTGVXAUSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170020 1144359182 /nfs/dbraw/zinc/35/91/82/1144359182.db2.gz FPMLOXZPCWWMLV-MSOLQXFVSA-N 2 1 315.461 2.308 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264550835 1144564187 /nfs/dbraw/zinc/56/41/87/1144564187.db2.gz MADZYMQUBLMJEZ-WCXIOVBPSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001264656014 1144586560 /nfs/dbraw/zinc/58/65/60/1144586560.db2.gz XJUQTFSCZOZRPV-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264656014 1144586567 /nfs/dbraw/zinc/58/65/67/1144586567.db2.gz XJUQTFSCZOZRPV-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264656014 1144586574 /nfs/dbraw/zinc/58/65/74/1144586574.db2.gz XJUQTFSCZOZRPV-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001264677530 1144591264 /nfs/dbraw/zinc/59/12/64/1144591264.db2.gz CHCCIUDGFPIDCG-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751263 1144605780 /nfs/dbraw/zinc/60/57/80/1144605780.db2.gz DPAWKEOQPJWEMO-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265697168 1144729585 /nfs/dbraw/zinc/72/95/85/1144729585.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697168 1144729590 /nfs/dbraw/zinc/72/95/90/1144729590.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697168 1144729594 /nfs/dbraw/zinc/72/95/94/1144729594.db2.gz PCXOSJLRGMCJGI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266070545 1144802706 /nfs/dbraw/zinc/80/27/06/1144802706.db2.gz CJFUPOBCGSKHNW-CVEARBPZSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266183664 1144812191 /nfs/dbraw/zinc/81/21/91/1144812191.db2.gz MAWQXDBBLBLCIQ-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567851 1144824755 /nfs/dbraw/zinc/82/47/55/1144824755.db2.gz ZVAOTSGXRMBQTC-DLBZAZTESA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567851 1144824756 /nfs/dbraw/zinc/82/47/56/1144824756.db2.gz ZVAOTSGXRMBQTC-DLBZAZTESA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567851 1144824757 /nfs/dbraw/zinc/82/47/57/1144824757.db2.gz ZVAOTSGXRMBQTC-DLBZAZTESA-N 2 1 316.449 2.374 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001280095589 1144831994 /nfs/dbraw/zinc/83/19/94/1144831994.db2.gz RDAJRRAMHPYWEB-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001280356299 1144836539 /nfs/dbraw/zinc/83/65/39/1144836539.db2.gz CDCYFPIETONWPN-QAPCUYQASA-N 2 1 315.461 2.481 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281102056 1144871568 /nfs/dbraw/zinc/87/15/68/1144871568.db2.gz ZBMNADRNXXFQFW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281102056 1144871569 /nfs/dbraw/zinc/87/15/69/1144871569.db2.gz ZBMNADRNXXFQFW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281102056 1144871570 /nfs/dbraw/zinc/87/15/70/1144871570.db2.gz ZBMNADRNXXFQFW-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001281840821 1144916000 /nfs/dbraw/zinc/91/60/00/1144916000.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001281840821 1144916002 /nfs/dbraw/zinc/91/60/02/1144916002.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281840821 1144916006 /nfs/dbraw/zinc/91/60/06/1144916006.db2.gz RKFGYWHOCCZAPZ-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001282607721 1145096101 /nfs/dbraw/zinc/09/61/01/1145096101.db2.gz RLKHXUWRXIBFLK-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282716232 1145142224 /nfs/dbraw/zinc/14/22/24/1145142224.db2.gz HZRGHWSYYDIYIA-HUUCEWRRSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@H+](C)CCCC)C(C)C)CC1 ZINC001332740417 1145704369 /nfs/dbraw/zinc/70/43/69/1145704369.db2.gz JYCQJDUIJIDJDH-UHFFFAOYSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CCc3cnc[nH]3)CCC[C@H]12 ZINC001284056462 1145776838 /nfs/dbraw/zinc/77/68/38/1145776838.db2.gz GZRDFDARYCJTAU-RDJZCZTQSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCc3cnc[nH]3)CCC[C@H]12 ZINC001284056462 1145776844 /nfs/dbraw/zinc/77/68/44/1145776844.db2.gz GZRDFDARYCJTAU-RDJZCZTQSA-N 2 1 302.422 2.032 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001284058069 1145778423 /nfs/dbraw/zinc/77/84/23/1145778423.db2.gz PDJQKCGFMZIZMA-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284058069 1145778432 /nfs/dbraw/zinc/77/84/32/1145778432.db2.gz PDJQKCGFMZIZMA-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284058069 1145778445 /nfs/dbraw/zinc/77/84/45/1145778445.db2.gz PDJQKCGFMZIZMA-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC001284072888 1145785567 /nfs/dbraw/zinc/78/55/67/1145785567.db2.gz XANIQIGUMZHQAL-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284072888 1145785571 /nfs/dbraw/zinc/78/55/71/1145785571.db2.gz XANIQIGUMZHQAL-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284072888 1145785575 /nfs/dbraw/zinc/78/55/75/1145785575.db2.gz XANIQIGUMZHQAL-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365288443 1145838385 /nfs/dbraw/zinc/83/83/85/1145838385.db2.gz WOBMICAZSKBEHE-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001365288443 1145838387 /nfs/dbraw/zinc/83/83/87/1145838387.db2.gz WOBMICAZSKBEHE-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP C=CCOc1cccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001308256203 1147461212 /nfs/dbraw/zinc/46/12/12/1147461212.db2.gz MIOMYORGNCQJBE-AEFFLSMTSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC001308256203 1147461224 /nfs/dbraw/zinc/46/12/24/1147461224.db2.gz MIOMYORGNCQJBE-AEFFLSMTSA-N 2 1 302.418 2.204 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316877351 1147619240 /nfs/dbraw/zinc/61/92/40/1147619240.db2.gz JXTRXKBDBPNTID-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001316925505 1147632983 /nfs/dbraw/zinc/63/29/83/1147632983.db2.gz RPJGIEBGAIIOSP-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001316933150 1147634316 /nfs/dbraw/zinc/63/43/16/1147634316.db2.gz IYZLLBADXQAGTL-OAHLLOKOSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317139870 1147665495 /nfs/dbraw/zinc/66/54/95/1147665495.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317139870 1147665497 /nfs/dbraw/zinc/66/54/97/1147665497.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317139870 1147665499 /nfs/dbraw/zinc/66/54/99/1147665499.db2.gz LQPKWOVYJDZOSW-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317171433 1147670525 /nfs/dbraw/zinc/67/05/25/1147670525.db2.gz AVHNEQTYBRWIFP-HZPDHXFCSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205022 1147676726 /nfs/dbraw/zinc/67/67/26/1147676726.db2.gz OTKLNPDYFPJMNU-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367762158 1147739207 /nfs/dbraw/zinc/73/92/07/1147739207.db2.gz YLFUCEOSZVDEPT-WFASDCNBSA-N 2 1 319.852 2.046 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721012 1147747146 /nfs/dbraw/zinc/74/71/46/1147747146.db2.gz QTGDFYUUHUWOQC-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001317723397 1147747296 /nfs/dbraw/zinc/74/72/96/1147747296.db2.gz GNHOHVSAXHGBFG-FUHWJXTLSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001324897600 1147856583 /nfs/dbraw/zinc/85/65/83/1147856583.db2.gz PGKMJIJAVIBPKO-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264093723 529695665 /nfs/dbraw/zinc/69/56/65/529695665.db2.gz LXQQDBBPSZGZLD-GJZGRUSLSA-N 2 1 318.465 2.110 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264093723 529695668 /nfs/dbraw/zinc/69/56/68/529695668.db2.gz LXQQDBBPSZGZLD-GJZGRUSLSA-N 2 1 318.465 2.110 20 30 DEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000330845944 529760172 /nfs/dbraw/zinc/76/01/72/529760172.db2.gz OSBNGYTXKDLHTR-HUUCEWRRSA-N 2 1 321.469 2.337 20 30 DEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360284 530052853 /nfs/dbraw/zinc/05/28/53/530052853.db2.gz XYYUTGRLOUZIKN-IRXDYDNUSA-N 2 1 314.433 2.281 20 30 DEEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360284 530052854 /nfs/dbraw/zinc/05/28/54/530052854.db2.gz XYYUTGRLOUZIKN-IRXDYDNUSA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360284 530052855 /nfs/dbraw/zinc/05/28/55/530052855.db2.gz XYYUTGRLOUZIKN-IRXDYDNUSA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360284 530052856 /nfs/dbraw/zinc/05/28/56/530052856.db2.gz XYYUTGRLOUZIKN-IRXDYDNUSA-N 2 1 314.433 2.281 20 30 DEEDMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000329492804 539921640 /nfs/dbraw/zinc/92/16/40/539921640.db2.gz ZUKKNTOINOBMIC-CYBMUJFWSA-N 2 1 302.422 2.316 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000066244067 354705448 /nfs/dbraw/zinc/70/54/48/354705448.db2.gz TYCPOWQFAWERDA-MRXNPFEDSA-N 2 1 316.449 2.313 20 30 DEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083031530 355462543 /nfs/dbraw/zinc/46/25/43/355462543.db2.gz WLGCZQLPLVSEIW-OAHLLOKOSA-N 2 1 313.405 2.010 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000180998749 199238702 /nfs/dbraw/zinc/23/87/02/199238702.db2.gz QNMHNCWHJBCZPQ-FQEVSTJZSA-N 2 1 321.424 2.415 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602699046 360505003 /nfs/dbraw/zinc/50/50/03/360505003.db2.gz PUIVJUANUQECQG-QGZVFWFLSA-N 2 1 306.498 2.418 20 30 DEEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133457 361280817 /nfs/dbraw/zinc/28/08/17/361280817.db2.gz JRGAVEQURRSXNI-GOSISDBHSA-N 2 1 322.497 2.093 20 30 DEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609133457 361280821 /nfs/dbraw/zinc/28/08/21/361280821.db2.gz JRGAVEQURRSXNI-GOSISDBHSA-N 2 1 322.497 2.093 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448626 781943120 /nfs/dbraw/zinc/94/31/20/781943120.db2.gz CPKIEXSNRITHNF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP N#CCCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000611287751 361572740 /nfs/dbraw/zinc/57/27/40/361572740.db2.gz AGBQULBOJDCMLU-IAGOWNOFSA-N 2 1 321.428 2.115 20 30 DEEDMP C#CCCOc1ccc(C[NH2+]CCC[N@H+](C)CCOC)cc1 ZINC000264952107 204299030 /nfs/dbraw/zinc/29/90/30/204299030.db2.gz KVJRQIRWPHMPFQ-UHFFFAOYSA-N 2 1 304.434 2.147 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852510 285284427 /nfs/dbraw/zinc/28/44/27/285284427.db2.gz RZNVQNZOPSFGRQ-INIZCTEOSA-N 2 1 320.506 2.438 20 30 DEEDMP COCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000264080595 533339659 /nfs/dbraw/zinc/33/96/59/533339659.db2.gz IGKKHQGGSRNVBW-OAHLLOKOSA-N 2 1 318.465 2.112 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000266978942 533364907 /nfs/dbraw/zinc/36/49/07/533364907.db2.gz LIJJKNRDNFJVIL-JTQLQIEISA-N 2 1 302.344 2.060 20 30 DEEDMP CCNC(NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)=[NH+]CC ZINC000111994703 401728754 /nfs/dbraw/zinc/72/87/54/401728754.db2.gz FVDPBYLRTSNRPD-UHFFFAOYSA-N 2 1 321.469 2.078 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000074132483 401731283 /nfs/dbraw/zinc/73/12/83/401731283.db2.gz ACQHPAFOHKFKGN-MRXNPFEDSA-N 2 1 322.497 2.010 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118841596 401910916 /nfs/dbraw/zinc/91/09/16/401910916.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118841596 401910918 /nfs/dbraw/zinc/91/09/18/401910918.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841596 401910920 /nfs/dbraw/zinc/91/09/20/401910920.db2.gz OERXKWSKIGMFJB-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000122471125 402079820 /nfs/dbraw/zinc/07/98/20/402079820.db2.gz RLSXQJZDRVFPCZ-UHFFFAOYSA-N 2 1 300.450 2.091 20 30 DEEDMP CC1CCN(C(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000122471125 402079823 /nfs/dbraw/zinc/07/98/23/402079823.db2.gz RLSXQJZDRVFPCZ-UHFFFAOYSA-N 2 1 300.450 2.091 20 30 DEEDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278352993 402863806 /nfs/dbraw/zinc/86/38/06/402863806.db2.gz ZIGIJSFUFFKLML-GOSISDBHSA-N 2 1 301.434 2.446 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269453435 403140382 /nfs/dbraw/zinc/14/03/82/403140382.db2.gz WIGCRLJBMXTJEN-UHFFFAOYSA-N 2 1 318.440 2.205 20 30 DEEDMP C[N@@H+](CCOCCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292939113 403384275 /nfs/dbraw/zinc/38/42/75/403384275.db2.gz ZWEXVRFXKXSKGI-SFHVURJKSA-N 2 1 301.434 2.371 20 30 DEEDMP C[NH+](CCOCCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292939113 403384279 /nfs/dbraw/zinc/38/42/79/403384279.db2.gz ZWEXVRFXKXSKGI-SFHVURJKSA-N 2 1 301.434 2.371 20 30 DEEDMP C[NH+](CCOCCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292939113 403384282 /nfs/dbraw/zinc/38/42/82/403384282.db2.gz ZWEXVRFXKXSKGI-SFHVURJKSA-N 2 1 301.434 2.371 20 30 DEEDMP C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070485 403750673 /nfs/dbraw/zinc/75/06/73/403750673.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070485 403750675 /nfs/dbraw/zinc/75/06/75/403750675.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070485 403750678 /nfs/dbraw/zinc/75/06/78/403750678.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070485 403750681 /nfs/dbraw/zinc/75/06/81/403750681.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070485 403750685 /nfs/dbraw/zinc/75/06/85/403750685.db2.gz RZVPJWRHBHYGKJ-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP CN(CC(=O)N[C@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329154627 404246925 /nfs/dbraw/zinc/24/69/25/404246925.db2.gz CAVBFUPYVUGGSU-KJFZJZGVSA-N 2 1 304.438 2.192 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352388496 404335604 /nfs/dbraw/zinc/33/56/04/404335604.db2.gz QSKJGCIQXDPJLL-UHFFFAOYSA-N 2 1 315.417 2.262 20 30 DEEDMP C[C@@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155983 405025244 /nfs/dbraw/zinc/02/52/44/405025244.db2.gz OMLRALODKHCEAC-DOTOQJQBSA-N 2 1 316.449 2.034 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767589 406887648 /nfs/dbraw/zinc/88/76/48/406887648.db2.gz MBKMQJFYPDXASD-YTQUADARSA-N 2 1 300.446 2.403 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767589 406887649 /nfs/dbraw/zinc/88/76/49/406887649.db2.gz MBKMQJFYPDXASD-YTQUADARSA-N 2 1 300.446 2.403 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001424314300 1173755548 /nfs/dbraw/zinc/75/55/48/1173755548.db2.gz VAYQNVDLKIABEG-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001424314300 1173755552 /nfs/dbraw/zinc/75/55/52/1173755552.db2.gz VAYQNVDLKIABEG-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001424314300 1173755555 /nfs/dbraw/zinc/75/55/55/1173755555.db2.gz VAYQNVDLKIABEG-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001424314300 1173755559 /nfs/dbraw/zinc/75/55/59/1173755559.db2.gz VAYQNVDLKIABEG-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000583360686 332352929 /nfs/dbraw/zinc/35/29/29/332352929.db2.gz DKMMMIKSVONKTM-ATZDWAIDSA-N 2 1 313.445 2.425 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001357582483 1152315613 /nfs/dbraw/zinc/31/56/13/1152315613.db2.gz WTHVJRQTTYAEMX-PVAVHDDUSA-N 2 1 305.466 2.145 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001378468576 1152340397 /nfs/dbraw/zinc/34/03/97/1152340397.db2.gz VHEPXJIPZAHXOM-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001378468576 1152340398 /nfs/dbraw/zinc/34/03/98/1152340398.db2.gz VHEPXJIPZAHXOM-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001329953566 1149022303 /nfs/dbraw/zinc/02/23/03/1149022303.db2.gz OGMORTOXRSBWBY-MRXNPFEDSA-N 2 1 304.438 2.210 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002213 526375140 /nfs/dbraw/zinc/37/51/40/526375140.db2.gz UTCGFXUJSUVHNU-ILXRZTDVSA-N 2 1 312.527 2.167 20 30 DEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423099583 526889126 /nfs/dbraw/zinc/88/91/26/526889126.db2.gz FOOIKSWIJCKROE-IPMKNSEASA-N 2 1 316.445 2.498 20 30 DEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422903194 526951302 /nfs/dbraw/zinc/95/13/02/526951302.db2.gz FFFCUQRCCCNXCQ-FGTMMUONSA-N 2 1 316.445 2.498 20 30 DEEDMP CCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264142194 528161811 /nfs/dbraw/zinc/16/18/11/528161811.db2.gz WVDDIGIQMWPCLQ-MRXNPFEDSA-N 2 1 304.438 2.146 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761795 625427330 /nfs/dbraw/zinc/42/73/30/625427330.db2.gz JMQZXVFMKPPSDA-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468315 625462439 /nfs/dbraw/zinc/46/24/39/625462439.db2.gz INZYKDSQECHNBM-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001026560794 625523638 /nfs/dbraw/zinc/52/36/38/625523638.db2.gz DUJGMHUJUCCOCE-GRTSSRMGSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001019468526 625592191 /nfs/dbraw/zinc/59/21/91/625592191.db2.gz YZTRQNMLDQHCLW-LSDHHAIUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575685 623780215 /nfs/dbraw/zinc/78/02/15/623780215.db2.gz MFLWPTIQIHIMMQ-HOTGVXAUSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736118 624018938 /nfs/dbraw/zinc/01/89/38/624018938.db2.gz KSDXQXVUIWUHKT-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926344892 624771673 /nfs/dbraw/zinc/77/16/73/624771673.db2.gz ZFJRPQZQKDZRMS-XWDNEUNKSA-N 2 1 308.466 2.199 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156499 624871848 /nfs/dbraw/zinc/87/18/48/624871848.db2.gz MSQZUSOXPHXKKH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156499 624871850 /nfs/dbraw/zinc/87/18/50/624871850.db2.gz MSQZUSOXPHXKKH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC000972156499 624871852 /nfs/dbraw/zinc/87/18/52/624871852.db2.gz MSQZUSOXPHXKKH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000998868399 634429037 /nfs/dbraw/zinc/42/90/37/634429037.db2.gz XQHXXQYGZCVDET-NRXISQOPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761900 625043741 /nfs/dbraw/zinc/04/37/41/625043741.db2.gz LDLANFITBZWPOT-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761900 625043748 /nfs/dbraw/zinc/04/37/48/625043748.db2.gz LDLANFITBZWPOT-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972486232 625120923 /nfs/dbraw/zinc/12/09/23/625120923.db2.gz QWWWEHSBLUWLTG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486232 625120924 /nfs/dbraw/zinc/12/09/24/625120924.db2.gz QWWWEHSBLUWLTG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486232 625120925 /nfs/dbraw/zinc/12/09/25/625120925.db2.gz QWWWEHSBLUWLTG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365186 625239730 /nfs/dbraw/zinc/23/97/30/625239730.db2.gz YZQNNRBEYHUMRO-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365186 625239735 /nfs/dbraw/zinc/23/97/35/625239735.db2.gz YZQNNRBEYHUMRO-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436908 625770116 /nfs/dbraw/zinc/77/01/16/625770116.db2.gz JZFBHCGFBUEBFH-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436908 625770124 /nfs/dbraw/zinc/77/01/24/625770124.db2.gz JZFBHCGFBUEBFH-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531389 625847995 /nfs/dbraw/zinc/84/79/95/625847995.db2.gz QPBBSCRRSZPTPJ-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978944007 634460137 /nfs/dbraw/zinc/46/01/37/634460137.db2.gz KOHXLMQUCWSHQP-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978944007 634460142 /nfs/dbraw/zinc/46/01/42/634460142.db2.gz KOHXLMQUCWSHQP-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978944007 634460144 /nfs/dbraw/zinc/46/01/44/634460144.db2.gz KOHXLMQUCWSHQP-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260198 634828909 /nfs/dbraw/zinc/82/89/09/634828909.db2.gz KWGCFTZYHAXPAQ-WBVHZDCISA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995983842 633153981 /nfs/dbraw/zinc/15/39/81/633153981.db2.gz SERATEORDRIZJI-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974581042 633162814 /nfs/dbraw/zinc/16/28/14/633162814.db2.gz VRCLDROZFUWOHR-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996168683 633206440 /nfs/dbraw/zinc/20/64/40/633206440.db2.gz KQPRXIFCCCUVKC-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112124 633428175 /nfs/dbraw/zinc/42/81/75/633428175.db2.gz QLWUHNHRGFKPFW-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112124 633428176 /nfs/dbraw/zinc/42/81/76/633428176.db2.gz QLWUHNHRGFKPFW-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975112124 633428177 /nfs/dbraw/zinc/42/81/77/633428177.db2.gz QLWUHNHRGFKPFW-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975112124 633428179 /nfs/dbraw/zinc/42/81/79/633428179.db2.gz QLWUHNHRGFKPFW-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997080450 633568218 /nfs/dbraw/zinc/56/82/18/633568218.db2.gz VFEKNXXUQJEVDT-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408961 633748445 /nfs/dbraw/zinc/74/84/45/633748445.db2.gz APZNHJZEIDPWPK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408961 633748448 /nfs/dbraw/zinc/74/84/48/633748448.db2.gz APZNHJZEIDPWPK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408961 633748451 /nfs/dbraw/zinc/74/84/51/633748451.db2.gz APZNHJZEIDPWPK-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442153 633795748 /nfs/dbraw/zinc/79/57/48/633795748.db2.gz BRQODCFYGLBELI-GJZGRUSLSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027448374 633801520 /nfs/dbraw/zinc/80/15/20/633801520.db2.gz IDPSMKFMTDLAPA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027448374 633801526 /nfs/dbraw/zinc/80/15/26/633801526.db2.gz IDPSMKFMTDLAPA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027448374 633801530 /nfs/dbraw/zinc/80/15/30/633801530.db2.gz IDPSMKFMTDLAPA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027466662 633836297 /nfs/dbraw/zinc/83/62/97/633836297.db2.gz XGMFTKOMUPMANH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466662 633836301 /nfs/dbraw/zinc/83/63/01/633836301.db2.gz XGMFTKOMUPMANH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466662 633836307 /nfs/dbraw/zinc/83/63/07/633836307.db2.gz XGMFTKOMUPMANH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027466662 633836313 /nfs/dbraw/zinc/83/63/13/633836313.db2.gz XGMFTKOMUPMANH-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473152 633856089 /nfs/dbraw/zinc/85/60/89/633856089.db2.gz GECMPMQGYOQGRR-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473152 633856095 /nfs/dbraw/zinc/85/60/95/633856095.db2.gz GECMPMQGYOQGRR-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473152 633856101 /nfs/dbraw/zinc/85/61/01/633856101.db2.gz GECMPMQGYOQGRR-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617634 633901809 /nfs/dbraw/zinc/90/18/09/633901809.db2.gz JXNUGRKOZWHLHZ-GOEBONIOSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951661 634074242 /nfs/dbraw/zinc/07/42/42/634074242.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951661 634074247 /nfs/dbraw/zinc/07/42/47/634074247.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951661 634074254 /nfs/dbraw/zinc/07/42/54/634074254.db2.gz YNNNYQYAYOQNQS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977653282 634082057 /nfs/dbraw/zinc/08/20/57/634082057.db2.gz IIABYVNAMXTZDM-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027609980 634279080 /nfs/dbraw/zinc/27/90/80/634279080.db2.gz HLRQUYPHYLXPGU-GDBMZVCRSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001027609980 634279086 /nfs/dbraw/zinc/27/90/86/634279086.db2.gz HLRQUYPHYLXPGU-GDBMZVCRSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001027609980 634279090 /nfs/dbraw/zinc/27/90/90/634279090.db2.gz HLRQUYPHYLXPGU-GDBMZVCRSA-N 2 1 304.438 2.087 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980483704 635016760 /nfs/dbraw/zinc/01/67/60/635016760.db2.gz SCHPDJIVOHFASC-INIZCTEOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982456 635160341 /nfs/dbraw/zinc/16/03/41/635160341.db2.gz RCHGIIHTDAMOMY-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000892569 635331168 /nfs/dbraw/zinc/33/11/68/635331168.db2.gz CCJIDKKVOVGCIV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000892569 635331175 /nfs/dbraw/zinc/33/11/75/635331175.db2.gz CCJIDKKVOVGCIV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000892569 635331179 /nfs/dbraw/zinc/33/11/79/635331179.db2.gz CCJIDKKVOVGCIV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070732 635397453 /nfs/dbraw/zinc/39/74/53/635397453.db2.gz TYTSLPKTHLYYRB-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070732 635397459 /nfs/dbraw/zinc/39/74/59/635397459.db2.gz TYTSLPKTHLYYRB-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070732 635397466 /nfs/dbraw/zinc/39/74/66/635397466.db2.gz TYTSLPKTHLYYRB-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088489 635458637 /nfs/dbraw/zinc/45/86/37/635458637.db2.gz JQKVZUFLVWFIPW-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088489 635458641 /nfs/dbraw/zinc/45/86/41/635458641.db2.gz JQKVZUFLVWFIPW-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438049 635483066 /nfs/dbraw/zinc/48/30/66/635483066.db2.gz JELNZJSOWYGHIK-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000981438049 635483068 /nfs/dbraw/zinc/48/30/68/635483068.db2.gz JELNZJSOWYGHIK-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438049 635483074 /nfs/dbraw/zinc/48/30/74/635483074.db2.gz JELNZJSOWYGHIK-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524796 635514748 /nfs/dbraw/zinc/51/47/48/635514748.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524796 635514753 /nfs/dbraw/zinc/51/47/53/635514753.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524796 635514754 /nfs/dbraw/zinc/51/47/54/635514754.db2.gz IECBXMDLLFPIOI-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181323 635783178 /nfs/dbraw/zinc/78/31/78/635783178.db2.gz RDCJWTKIEFQEBZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181323 635783180 /nfs/dbraw/zinc/78/31/80/635783180.db2.gz RDCJWTKIEFQEBZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181323 635783183 /nfs/dbraw/zinc/78/31/83/635783183.db2.gz RDCJWTKIEFQEBZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002792430 635799484 /nfs/dbraw/zinc/79/94/84/635799484.db2.gz NGUKLLFYDWBHCM-HNNXBMFYSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002792430 635799490 /nfs/dbraw/zinc/79/94/90/635799490.db2.gz NGUKLLFYDWBHCM-HNNXBMFYSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281873 635943842 /nfs/dbraw/zinc/94/38/42/635943842.db2.gz BCCVRDGNBSUTFM-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281873 635943846 /nfs/dbraw/zinc/94/38/46/635943846.db2.gz BCCVRDGNBSUTFM-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281873 635943850 /nfs/dbraw/zinc/94/38/50/635943850.db2.gz BCCVRDGNBSUTFM-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595832 636497129 /nfs/dbraw/zinc/49/71/29/636497129.db2.gz JKOZHGLEZSPULO-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595832 636497135 /nfs/dbraw/zinc/49/71/35/636497135.db2.gz JKOZHGLEZSPULO-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595832 636497136 /nfs/dbraw/zinc/49/71/36/636497136.db2.gz JKOZHGLEZSPULO-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005872303 636920936 /nfs/dbraw/zinc/92/09/36/636920936.db2.gz VGGYOINIQPEPDK-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006073941 637158616 /nfs/dbraw/zinc/15/86/16/637158616.db2.gz WFFXSANUPILLHH-UHFFFAOYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985750499 639614711 /nfs/dbraw/zinc/61/47/11/639614711.db2.gz GJVYZYTZZIPVGD-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985750499 639614713 /nfs/dbraw/zinc/61/47/13/639614713.db2.gz GJVYZYTZZIPVGD-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985750499 639614714 /nfs/dbraw/zinc/61/47/14/639614714.db2.gz GJVYZYTZZIPVGD-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000764445319 640637698 /nfs/dbraw/zinc/63/76/98/640637698.db2.gz UWBSYGOSPIHNNF-UHFFFAOYSA-N 2 1 316.380 2.054 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000764565895 640655583 /nfs/dbraw/zinc/65/55/83/640655583.db2.gz OJVZUGOTJWYZHA-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483227 641121118 /nfs/dbraw/zinc/12/11/18/641121118.db2.gz PSZWBKFTLQDTDE-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990634109 641564230 /nfs/dbraw/zinc/56/42/30/641564230.db2.gz BGYNZYNERVFXPW-JFIYKMOQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990634109 641564233 /nfs/dbraw/zinc/56/42/33/641564233.db2.gz BGYNZYNERVFXPW-JFIYKMOQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990634109 641564236 /nfs/dbraw/zinc/56/42/36/641564236.db2.gz BGYNZYNERVFXPW-JFIYKMOQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946143 /nfs/dbraw/zinc/94/61/43/641946143.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946148 /nfs/dbraw/zinc/94/61/48/641946148.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990759593 641946150 /nfs/dbraw/zinc/94/61/50/641946150.db2.gz DQHUJRKLTSUDTL-BVIKNXMNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900605400 642419184 /nfs/dbraw/zinc/41/91/84/642419184.db2.gz KLAGTWPMWBKDNG-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722522 643439308 /nfs/dbraw/zinc/43/93/08/643439308.db2.gz MAFQYMPBIMMYMY-OALUTQOASA-N 2 1 316.445 2.452 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905097659 643799533 /nfs/dbraw/zinc/79/95/33/643799533.db2.gz PCXQLAWZEQPHPO-RBUKOAKNSA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843813755 651034252 /nfs/dbraw/zinc/03/42/52/651034252.db2.gz FSOTUYBMKDEYLH-CRAIPNDOSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CCN1CC[C@@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@@H]12 ZINC000991380902 646040557 /nfs/dbraw/zinc/04/05/57/646040557.db2.gz AOICXLKDKUAWSZ-MJGOQNOKSA-N 2 1 322.412 2.313 20 30 DEEDMP CC[N@@H+](Cc1ccc(C(=O)NCC#CC[NH+](C)C)cc1)C(C)C ZINC000913518753 646381797 /nfs/dbraw/zinc/38/17/97/646381797.db2.gz ZOPCPTAZXJCMQP-UHFFFAOYSA-N 2 1 315.461 2.212 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992412046 646980496 /nfs/dbraw/zinc/98/04/96/646980496.db2.gz QQIQWLRXKHISLW-LPHOPBHVSA-N 2 1 317.477 2.162 20 30 DEEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818985846 647557752 /nfs/dbraw/zinc/55/77/52/647557752.db2.gz XZQZRUYBZMYWNY-SJLPKXTDSA-N 2 1 301.434 2.302 20 30 DEEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819151981 647595221 /nfs/dbraw/zinc/59/52/21/647595221.db2.gz JPJQVJCYZAKDQC-WMZOPIPTSA-N 2 1 301.434 2.159 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993619010 647708038 /nfs/dbraw/zinc/70/80/38/647708038.db2.gz WCUOAIIERDDLFU-WMLDXEAASA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939236815 648607351 /nfs/dbraw/zinc/60/73/51/648607351.db2.gz RSROLOYXVOFNEO-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940013 /nfs/dbraw/zinc/94/00/13/648940013.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940015 /nfs/dbraw/zinc/94/00/15/648940015.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754355 648940017 /nfs/dbraw/zinc/94/00/17/648940017.db2.gz WUCGNKNNBCSZMU-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785581 648941234 /nfs/dbraw/zinc/94/12/34/648941234.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785581 648941237 /nfs/dbraw/zinc/94/12/37/648941237.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785581 648941240 /nfs/dbraw/zinc/94/12/40/648941240.db2.gz OIHWHURKPBQCJT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942301535 649200654 /nfs/dbraw/zinc/20/06/54/649200654.db2.gz GWBWXSRUIGGCMP-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290077 649359918 /nfs/dbraw/zinc/35/99/18/649359918.db2.gz UQYHKIBJABLPTF-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290077 649359920 /nfs/dbraw/zinc/35/99/20/649359920.db2.gz UQYHKIBJABLPTF-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943879299 649447677 /nfs/dbraw/zinc/44/76/77/649447677.db2.gz VCLMINQLXCBXEI-RDJZCZTQSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948552683 649517857 /nfs/dbraw/zinc/51/78/57/649517857.db2.gz AFNZMZMXBIUCHX-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948552683 649517860 /nfs/dbraw/zinc/51/78/60/649517860.db2.gz AFNZMZMXBIUCHX-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948552683 649517863 /nfs/dbraw/zinc/51/78/63/649517863.db2.gz AFNZMZMXBIUCHX-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028576 649600260 /nfs/dbraw/zinc/60/02/60/649600260.db2.gz JTYLEOXMSVDVAT-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C[NH+]=C(NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)NC1CC1 ZINC000849076651 651598370 /nfs/dbraw/zinc/59/83/70/651598370.db2.gz UANYULVUEHOSPM-UHFFFAOYSA-N 2 1 322.497 2.128 20 30 DEEDMP C[NH+]=C(NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)NC1CC1 ZINC000849076651 651598372 /nfs/dbraw/zinc/59/83/72/651598372.db2.gz UANYULVUEHOSPM-UHFFFAOYSA-N 2 1 322.497 2.128 20 30 DEEDMP CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305036512 685265850 /nfs/dbraw/zinc/26/58/50/685265850.db2.gz STHGBIJFOKMBBP-MRXNPFEDSA-N 2 1 318.465 2.282 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199390 693880664 /nfs/dbraw/zinc/88/06/64/693880664.db2.gz VQZILXFAGXLUSN-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228560 693891239 /nfs/dbraw/zinc/89/12/39/693891239.db2.gz SWKXYUFTHNSBRB-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228560 693891240 /nfs/dbraw/zinc/89/12/40/693891240.db2.gz SWKXYUFTHNSBRB-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228560 693891242 /nfs/dbraw/zinc/89/12/42/693891242.db2.gz SWKXYUFTHNSBRB-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)c1cccc(OC)c1 ZINC000303403098 685232387 /nfs/dbraw/zinc/23/23/87/685232387.db2.gz NSISIHYAAZBEDH-KRWDZBQOSA-N 2 1 318.465 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652743 687675051 /nfs/dbraw/zinc/67/50/51/687675051.db2.gz WILUTYIDUQTKMD-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001032399809 689140362 /nfs/dbraw/zinc/14/03/62/689140362.db2.gz IOFAQSPYQGEMDF-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032399809 689140365 /nfs/dbraw/zinc/14/03/65/689140365.db2.gz IOFAQSPYQGEMDF-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001032399809 689140366 /nfs/dbraw/zinc/14/03/66/689140366.db2.gz IOFAQSPYQGEMDF-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001032663829 689218115 /nfs/dbraw/zinc/21/81/15/689218115.db2.gz FADYRXYZVFUYCK-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032663829 689218118 /nfs/dbraw/zinc/21/81/18/689218118.db2.gz FADYRXYZVFUYCK-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032663829 689218120 /nfs/dbraw/zinc/21/81/20/689218120.db2.gz FADYRXYZVFUYCK-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365241 689478115 /nfs/dbraw/zinc/47/81/15/689478115.db2.gz FEWAENFXWQCJCP-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033365241 689478119 /nfs/dbraw/zinc/47/81/19/689478119.db2.gz FEWAENFXWQCJCP-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033504120 689524313 /nfs/dbraw/zinc/52/43/13/689524313.db2.gz CXUDEOXZVHUXOW-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855069 689639126 /nfs/dbraw/zinc/63/91/26/689639126.db2.gz GNMJLZKCFNNXRU-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855069 689639129 /nfs/dbraw/zinc/63/91/29/689639129.db2.gz GNMJLZKCFNNXRU-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855069 689639132 /nfs/dbraw/zinc/63/91/32/689639132.db2.gz GNMJLZKCFNNXRU-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP N#CC1(CCCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000931064716 694308473 /nfs/dbraw/zinc/30/84/73/694308473.db2.gz BPVUXROWMZXHNX-QGZVFWFLSA-N 2 1 305.466 2.382 20 30 DEEDMP N#CC1(CCCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000931064716 694308479 /nfs/dbraw/zinc/30/84/79/694308479.db2.gz BPVUXROWMZXHNX-QGZVFWFLSA-N 2 1 305.466 2.382 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284472 689795344 /nfs/dbraw/zinc/79/53/44/689795344.db2.gz KRWHMWVQRMAGMP-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000876503487 689841377 /nfs/dbraw/zinc/84/13/77/689841377.db2.gz KZFSPXVORSDYHO-MRXNPFEDSA-N 2 1 321.852 2.191 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432024 689847959 /nfs/dbraw/zinc/84/79/59/689847959.db2.gz RXITWZDFAGIJGO-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001034795870 689949669 /nfs/dbraw/zinc/94/96/69/689949669.db2.gz WNRDEBNKZMCMKJ-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035226706 690065820 /nfs/dbraw/zinc/06/58/20/690065820.db2.gz KOQUOWLBCKCLTL-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226706 690065822 /nfs/dbraw/zinc/06/58/22/690065822.db2.gz KOQUOWLBCKCLTL-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226706 690065824 /nfs/dbraw/zinc/06/58/24/690065824.db2.gz KOQUOWLBCKCLTL-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762302 690463391 /nfs/dbraw/zinc/46/33/91/690463391.db2.gz IDPRIXVVOLNQSK-WBVHZDCISA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773141 690468812 /nfs/dbraw/zinc/46/88/12/690468812.db2.gz ITAPTODDNFQPSB-WMLDXEAASA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773139 690468847 /nfs/dbraw/zinc/46/88/47/690468847.db2.gz ITAPTODDNFQPSB-PBHICJAKSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037926110 690641729 /nfs/dbraw/zinc/64/17/29/690641729.db2.gz MFLBPOFQBUOVDC-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037925088 690641750 /nfs/dbraw/zinc/64/17/50/690641750.db2.gz JYVGBQLCMHQSCJ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818050 690932922 /nfs/dbraw/zinc/93/29/22/690932922.db2.gz KVLAXOQSXSQVFM-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039136732 691030653 /nfs/dbraw/zinc/03/06/53/691030653.db2.gz OHJFSZMROBODFH-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434202 691105063 /nfs/dbraw/zinc/10/50/63/691105063.db2.gz CRVPGVQKVDPHDT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434202 691105066 /nfs/dbraw/zinc/10/50/66/691105066.db2.gz CRVPGVQKVDPHDT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039434202 691105067 /nfs/dbraw/zinc/10/50/67/691105067.db2.gz CRVPGVQKVDPHDT-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039437120 691105858 /nfs/dbraw/zinc/10/58/58/691105858.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437120 691105859 /nfs/dbraw/zinc/10/58/59/691105859.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437120 691105861 /nfs/dbraw/zinc/10/58/61/691105861.db2.gz BIUOTVCREGIIHG-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000931546297 694424735 /nfs/dbraw/zinc/42/47/35/694424735.db2.gz KPSWPDLYMYMTBW-AEFFLSMTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000931546297 694424740 /nfs/dbraw/zinc/42/47/40/694424740.db2.gz KPSWPDLYMYMTBW-AEFFLSMTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000931546297 694424742 /nfs/dbraw/zinc/42/47/42/694424742.db2.gz KPSWPDLYMYMTBW-AEFFLSMTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1 ZINC000931546297 694424745 /nfs/dbraw/zinc/42/47/45/694424745.db2.gz KPSWPDLYMYMTBW-AEFFLSMTSA-N 2 1 311.429 2.023 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398941 691241848 /nfs/dbraw/zinc/24/18/48/691241848.db2.gz MLUBHCCNODACKX-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342137 691364042 /nfs/dbraw/zinc/36/40/42/691364042.db2.gz COWCVYCYCHITOE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342137 691364046 /nfs/dbraw/zinc/36/40/46/691364046.db2.gz COWCVYCYCHITOE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342137 691364050 /nfs/dbraw/zinc/36/40/50/691364050.db2.gz COWCVYCYCHITOE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353850 691366104 /nfs/dbraw/zinc/36/61/04/691366104.db2.gz KOXFZZHMRLAESY-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000883131387 691436897 /nfs/dbraw/zinc/43/68/97/691436897.db2.gz ZVUKKMICVUINNA-UHFFFAOYSA-N 2 1 302.447 2.193 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000883131387 691436900 /nfs/dbraw/zinc/43/69/00/691436900.db2.gz ZVUKKMICVUINNA-UHFFFAOYSA-N 2 1 302.447 2.193 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042202505 691534958 /nfs/dbraw/zinc/53/49/58/691534958.db2.gz DARQDOYKDCJEDQ-ZBFHGGJFSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001042202505 691534960 /nfs/dbraw/zinc/53/49/60/691534960.db2.gz DARQDOYKDCJEDQ-ZBFHGGJFSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939065 692058192 /nfs/dbraw/zinc/05/81/92/692058192.db2.gz UKPLKQHUDAPIAU-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939065 692058195 /nfs/dbraw/zinc/05/81/95/692058195.db2.gz UKPLKQHUDAPIAU-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939065 692058198 /nfs/dbraw/zinc/05/81/98/692058198.db2.gz UKPLKQHUDAPIAU-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046368640 692167227 /nfs/dbraw/zinc/16/72/27/692167227.db2.gz FTVJDTYWSIOYRE-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368640 692167231 /nfs/dbraw/zinc/16/72/31/692167231.db2.gz FTVJDTYWSIOYRE-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368640 692167235 /nfs/dbraw/zinc/16/72/35/692167235.db2.gz FTVJDTYWSIOYRE-SJLPKXTDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048543363 692644110 /nfs/dbraw/zinc/64/41/10/692644110.db2.gz VAQMYSDTBZXPOB-ACHSLPGTSA-N 2 1 324.428 2.493 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830057 692704834 /nfs/dbraw/zinc/70/48/34/692704834.db2.gz GBCZTNLGLISLML-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830057 692704837 /nfs/dbraw/zinc/70/48/37/692704837.db2.gz GBCZTNLGLISLML-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830057 692704842 /nfs/dbraw/zinc/70/48/42/692704842.db2.gz GBCZTNLGLISLML-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516624 692908354 /nfs/dbraw/zinc/90/83/54/692908354.db2.gz DTKUXTVKKBUBCM-HZPDHXFCSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545795 692917420 /nfs/dbraw/zinc/91/74/20/692917420.db2.gz MVEBFTRDMAIPNF-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806914 693006841 /nfs/dbraw/zinc/00/68/41/693006841.db2.gz PPEDWVDDNCZUSN-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050081488 693103343 /nfs/dbraw/zinc/10/33/43/693103343.db2.gz ZUBKHKROXJLWIH-MAUKXSAKSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050085895 693104030 /nfs/dbraw/zinc/10/40/30/693104030.db2.gz NHRZOTOEVXXWLA-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050765646 693247064 /nfs/dbraw/zinc/24/70/64/693247064.db2.gz UWOVAUFBCMJZCH-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052375981 693518045 /nfs/dbraw/zinc/51/80/45/693518045.db2.gz ARHRMBCBJAVUIZ-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651859 693589549 /nfs/dbraw/zinc/58/95/49/693589549.db2.gz NVIFSNOHCRUWQY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651859 693589551 /nfs/dbraw/zinc/58/95/51/693589551.db2.gz NVIFSNOHCRUWQY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651859 693589553 /nfs/dbraw/zinc/58/95/53/693589553.db2.gz NVIFSNOHCRUWQY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001382018621 1153319749 /nfs/dbraw/zinc/31/97/49/1153319749.db2.gz IVKYQPJJSRPJPF-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001389329280 1155311231 /nfs/dbraw/zinc/31/12/31/1155311231.db2.gz VVRXFGQHDRZYIN-GJZGRUSLSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)CCC)CC1 ZINC001393070733 1157655440 /nfs/dbraw/zinc/65/54/40/1157655440.db2.gz NCMYJLHGDMHBRG-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001393070733 1157655447 /nfs/dbraw/zinc/65/54/47/1157655447.db2.gz NCMYJLHGDMHBRG-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001393738485 1157942108 /nfs/dbraw/zinc/94/21/08/1157942108.db2.gz LIQJCXIXKFHMQM-AWEZNQCLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001394513915 1158602901 /nfs/dbraw/zinc/60/29/01/1158602901.db2.gz BGBGWRITJDEIET-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001403772733 1163163687 /nfs/dbraw/zinc/16/36/87/1163163687.db2.gz QEFXLUJRXCHUNV-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401279417 1161913920 /nfs/dbraw/zinc/91/39/20/1161913920.db2.gz DLEUVSZQJOZSAH-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001401327843 1161933132 /nfs/dbraw/zinc/93/31/32/1161933132.db2.gz VZAYMJWOIVDOSD-RRFJBIMHSA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001402064256 1162233809 /nfs/dbraw/zinc/23/38/09/1162233809.db2.gz ZGPGNYPXLQZBJY-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001419828266 1168863426 /nfs/dbraw/zinc/86/34/26/1168863426.db2.gz UDJIJDMWJDKBHG-ZFWWWQNUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001421507558 1171826310 /nfs/dbraw/zinc/82/63/10/1171826310.db2.gz GJODMMIXRRXEDB-ZIAGYGMSSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001423531391 1173390283 /nfs/dbraw/zinc/39/02/83/1173390283.db2.gz AQZNDGUPIQVJRP-OAHLLOKOSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001423587713 1173431466 /nfs/dbraw/zinc/43/14/66/1173431466.db2.gz OMWHQENJNCVPRC-HNNXBMFYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001423587713 1173431471 /nfs/dbraw/zinc/43/14/71/1173431471.db2.gz OMWHQENJNCVPRC-HNNXBMFYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001423587713 1173431475 /nfs/dbraw/zinc/43/14/75/1173431475.db2.gz OMWHQENJNCVPRC-HNNXBMFYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001423587713 1173431477 /nfs/dbraw/zinc/43/14/77/1173431477.db2.gz OMWHQENJNCVPRC-HNNXBMFYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438308815 1180337107 /nfs/dbraw/zinc/33/71/07/1180337107.db2.gz FMPYAGKJPSKULR-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001439480048 1181106756 /nfs/dbraw/zinc/10/67/56/1181106756.db2.gz MKHGVOHZHOCWCR-AWEZNQCLSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001440537596 1181585393 /nfs/dbraw/zinc/58/53/93/1181585393.db2.gz KOXUKRRTQYQIDV-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106152465 782440473 /nfs/dbraw/zinc/44/04/73/782440473.db2.gz WCTQSHHRUAHLMB-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001333153222 1150008397 /nfs/dbraw/zinc/00/83/97/1150008397.db2.gz KUXNOEFMALAROS-ABHNRTSZSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840653 782982336 /nfs/dbraw/zinc/98/23/36/782982336.db2.gz YUCRKNSJTSSLHG-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617376 783189973 /nfs/dbraw/zinc/18/99/73/783189973.db2.gz XXMFUGICZJWSHM-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422480 777365896 /nfs/dbraw/zinc/36/58/96/777365896.db2.gz VAYUCSZCKREGOG-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813771 779355661 /nfs/dbraw/zinc/35/56/61/779355661.db2.gz YOMCBNVKQPAYME-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813771 779355662 /nfs/dbraw/zinc/35/56/62/779355662.db2.gz YOMCBNVKQPAYME-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813771 779355669 /nfs/dbraw/zinc/35/56/69/779355669.db2.gz YOMCBNVKQPAYME-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593319 779368716 /nfs/dbraw/zinc/36/87/16/779368716.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593319 779368721 /nfs/dbraw/zinc/36/87/21/779368721.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593319 779368726 /nfs/dbraw/zinc/36/87/26/779368726.db2.gz BCQNYUDCIHWZSF-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993492 779620605 /nfs/dbraw/zinc/62/06/05/779620605.db2.gz QCXMBVQLHDVCGE-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985519298 779884526 /nfs/dbraw/zinc/88/45/26/779884526.db2.gz UBQBKOUXTGMLRT-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519298 779884530 /nfs/dbraw/zinc/88/45/30/779884530.db2.gz UBQBKOUXTGMLRT-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519298 779884540 /nfs/dbraw/zinc/88/45/40/779884540.db2.gz UBQBKOUXTGMLRT-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336819 779988278 /nfs/dbraw/zinc/98/82/78/779988278.db2.gz NLDUXPFSYSHAHO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001088340980 779993888 /nfs/dbraw/zinc/99/38/88/779993888.db2.gz UAHZRMPSEMIAAR-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369258 780030633 /nfs/dbraw/zinc/03/06/33/780030633.db2.gz FAWYWKLPQPJJFK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153604 780279573 /nfs/dbraw/zinc/27/95/73/780279573.db2.gz OKBAXUBTKZFMII-HNNXBMFYSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578776 780776243 /nfs/dbraw/zinc/77/62/43/780776243.db2.gz GUKZFDNXMVVRBY-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168334779 780851260 /nfs/dbraw/zinc/85/12/60/780851260.db2.gz WTTVEYDRCHOXIP-QQFBHYJXSA-N 2 1 309.454 2.236 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246848 781181319 /nfs/dbraw/zinc/18/13/19/781181319.db2.gz MRNDWMDZWKXUEL-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246848 781181323 /nfs/dbraw/zinc/18/13/23/781181323.db2.gz MRNDWMDZWKXUEL-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246848 781181326 /nfs/dbraw/zinc/18/13/26/781181326.db2.gz MRNDWMDZWKXUEL-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439518 783465862 /nfs/dbraw/zinc/46/58/62/783465862.db2.gz QWBYEMYQXONFIU-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439518 783465866 /nfs/dbraw/zinc/46/58/66/783465866.db2.gz QWBYEMYQXONFIU-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620868 783533746 /nfs/dbraw/zinc/53/37/46/783533746.db2.gz JWOKYRVNRRROAT-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620868 783533752 /nfs/dbraw/zinc/53/37/52/783533752.db2.gz JWOKYRVNRRROAT-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639040 783914850 /nfs/dbraw/zinc/91/48/50/783914850.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639040 783914852 /nfs/dbraw/zinc/91/48/52/783914852.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639040 783914860 /nfs/dbraw/zinc/91/48/60/783914860.db2.gz GVXAQWPPHWBXAV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936333 784659750 /nfs/dbraw/zinc/65/97/50/784659750.db2.gz DULSTFZMHJYOAD-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751162 785294131 /nfs/dbraw/zinc/29/41/31/785294131.db2.gz ZARATFKEWRJPLH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803376 785541814 /nfs/dbraw/zinc/54/18/14/785541814.db2.gz BXBVBYWLVQXZRP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803648 785548074 /nfs/dbraw/zinc/54/80/74/785548074.db2.gz DUWURBVIXSLVJM-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248400 791123551 /nfs/dbraw/zinc/12/35/51/791123551.db2.gz UJBASUXJWDSKLU-LSDHHAIUSA-N 2 1 304.438 2.211 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109410538 785856828 /nfs/dbraw/zinc/85/68/28/785856828.db2.gz IMKVQGHHAXPGOM-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410538 785856835 /nfs/dbraw/zinc/85/68/35/785856835.db2.gz IMKVQGHHAXPGOM-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410538 785856843 /nfs/dbraw/zinc/85/68/43/785856843.db2.gz IMKVQGHHAXPGOM-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857784 786086511 /nfs/dbraw/zinc/08/65/11/786086511.db2.gz BIKNWRZNEHSTBZ-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857784 786086519 /nfs/dbraw/zinc/08/65/19/786086519.db2.gz BIKNWRZNEHSTBZ-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857784 786086525 /nfs/dbraw/zinc/08/65/25/786086525.db2.gz BIKNWRZNEHSTBZ-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578735 786163417 /nfs/dbraw/zinc/16/34/17/786163417.db2.gz DMGSOPXKRMUUKZ-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113419434 786583510 /nfs/dbraw/zinc/58/35/10/786583510.db2.gz RFIWFJIQFXZKAF-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430816 786583623 /nfs/dbraw/zinc/58/36/23/786583623.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430816 786583630 /nfs/dbraw/zinc/58/36/30/786583630.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430816 786583633 /nfs/dbraw/zinc/58/36/33/786583633.db2.gz HHTJCLNQHXQKMR-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731178 786730322 /nfs/dbraw/zinc/73/03/22/786730322.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731178 786730326 /nfs/dbraw/zinc/73/03/26/786730326.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731178 786730329 /nfs/dbraw/zinc/73/03/29/786730329.db2.gz ZNVYYYWKUZJBFO-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937039 788231670 /nfs/dbraw/zinc/23/16/70/788231670.db2.gz FVKZDHJTQYXTGV-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976775 788245880 /nfs/dbraw/zinc/24/58/80/788245880.db2.gz GQBJSUMSXJUXBB-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262109 788338696 /nfs/dbraw/zinc/33/86/96/788338696.db2.gz GRDSAGVPRDLLJT-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345581 788375464 /nfs/dbraw/zinc/37/54/64/788375464.db2.gz DVXOUZGFKLHHFR-ZFWWWQNUSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103352 788601540 /nfs/dbraw/zinc/60/15/40/788601540.db2.gz QESAGFJXFFMRLB-SIXLDLHFSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103352 788601548 /nfs/dbraw/zinc/60/15/48/788601548.db2.gz QESAGFJXFFMRLB-SIXLDLHFSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570138 788982843 /nfs/dbraw/zinc/98/28/43/788982843.db2.gz JOSVTXDYBMRMCN-UHFFFAOYSA-N 2 1 306.454 2.459 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772724 789074071 /nfs/dbraw/zinc/07/40/71/789074071.db2.gz HFHUNYSTUFFEEH-CHWSQXEVSA-N 2 1 303.878 2.342 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098096992 789114628 /nfs/dbraw/zinc/11/46/28/789114628.db2.gz OWBLBJCUXZMUQC-KURKYZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098097073 789118226 /nfs/dbraw/zinc/11/82/26/789118226.db2.gz TXIRLZBHIHEFPU-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001098099654 789226896 /nfs/dbraw/zinc/22/68/96/789226896.db2.gz QRVVJNUIKLEGNR-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871192 789951312 /nfs/dbraw/zinc/95/13/12/789951312.db2.gz GNHFXKDQULXWCX-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000167 790006854 /nfs/dbraw/zinc/00/68/54/790006854.db2.gz VGSBJQRWRXAKFT-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000167 790006857 /nfs/dbraw/zinc/00/68/57/790006857.db2.gz VGSBJQRWRXAKFT-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147459558 791540732 /nfs/dbraw/zinc/54/07/32/791540732.db2.gz PFIVJLVTLJAFNY-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147657909 791590771 /nfs/dbraw/zinc/59/07/71/791590771.db2.gz HCUXTCAARLVLMJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147657909 791590774 /nfs/dbraw/zinc/59/07/74/791590774.db2.gz HCUXTCAARLVLMJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147657909 791590778 /nfs/dbraw/zinc/59/07/78/791590778.db2.gz HCUXTCAARLVLMJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952747 791862597 /nfs/dbraw/zinc/86/25/97/791862597.db2.gz PHPODHTVYUGRHY-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957136 791864060 /nfs/dbraw/zinc/86/40/60/791864060.db2.gz FUZDTIOSQGSMFR-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071211 791928713 /nfs/dbraw/zinc/92/87/13/791928713.db2.gz LPYSCBGGBFHYJR-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544726 792236481 /nfs/dbraw/zinc/23/64/81/792236481.db2.gz UGPLKCFHGSMCHL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544726 792236491 /nfs/dbraw/zinc/23/64/91/792236491.db2.gz UGPLKCFHGSMCHL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544726 792236499 /nfs/dbraw/zinc/23/64/99/792236499.db2.gz UGPLKCFHGSMCHL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100989323 792958356 /nfs/dbraw/zinc/95/83/56/792958356.db2.gz STDOWRMFYNREIC-IUDNXUCKSA-N 2 1 304.438 2.031 20 30 DEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629299 793140832 /nfs/dbraw/zinc/14/08/32/793140832.db2.gz KMEKCBUFJHLKTH-AWEZNQCLSA-N 2 1 322.453 2.191 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171647448 793158128 /nfs/dbraw/zinc/15/81/28/793158128.db2.gz VXIRHSWTLFCIQL-ROUUACIJSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461597 793168491 /nfs/dbraw/zinc/16/84/91/793168491.db2.gz KEFILOZKAZVGKK-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090838 793502030 /nfs/dbraw/zinc/50/20/30/793502030.db2.gz GZKDDJPECHGJLQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090838 793502033 /nfs/dbraw/zinc/50/20/33/793502033.db2.gz GZKDDJPECHGJLQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090838 793502042 /nfs/dbraw/zinc/50/20/42/793502042.db2.gz GZKDDJPECHGJLQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357733 793584976 /nfs/dbraw/zinc/58/49/76/793584976.db2.gz HOLTUJYEQIXZKO-ZACQAIPSSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368132 793587188 /nfs/dbraw/zinc/58/71/88/793587188.db2.gz GJNKGLMBAVXCQX-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599850 793669453 /nfs/dbraw/zinc/66/94/53/793669453.db2.gz AUKGINYHLJDQCU-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882789 794083133 /nfs/dbraw/zinc/08/31/33/794083133.db2.gz XHTLQFHYWDXFAB-IAGOWNOFSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016175 794557570 /nfs/dbraw/zinc/55/75/70/794557570.db2.gz FDFURKXVBYLSTR-OAHLLOKOSA-N 2 1 309.841 2.138 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688508 794975750 /nfs/dbraw/zinc/97/57/50/794975750.db2.gz KRWGQKKZFCGOHY-GOSISDBHSA-N 2 1 321.509 2.254 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372543 795292714 /nfs/dbraw/zinc/29/27/14/795292714.db2.gz ARYMNYCQILLIJB-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP CC(C)C[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001120503701 795473784 /nfs/dbraw/zinc/47/37/84/795473784.db2.gz XAXVLYZQDIASHO-UHFFFAOYSA-N 2 1 316.449 2.454 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441528 795479703 /nfs/dbraw/zinc/47/97/03/795479703.db2.gz QCSPCFSTKOITCR-JFIYKMOQSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767534 795684961 /nfs/dbraw/zinc/68/49/61/795684961.db2.gz GIYKBZASUUKWDW-FIXVGMIGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121773116 795685588 /nfs/dbraw/zinc/68/55/88/795685588.db2.gz OIQVORMCZBIGDE-KZIPQDEESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915879 795703922 /nfs/dbraw/zinc/70/39/22/795703922.db2.gz QKFOHZWPUDQKCX-UHFFFAOYSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121973811 795711249 /nfs/dbraw/zinc/71/12/49/795711249.db2.gz BDUTUKMZYMVPNA-IRXDYDNUSA-N 2 1 301.434 2.061 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001183354100 795853564 /nfs/dbraw/zinc/85/35/64/795853564.db2.gz PLWFUZCSKRHKSL-DFOOCIKTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001183354100 795853572 /nfs/dbraw/zinc/85/35/72/795853572.db2.gz PLWFUZCSKRHKSL-DFOOCIKTSA-N 2 1 317.477 2.021 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309853 796030582 /nfs/dbraw/zinc/03/05/82/796030582.db2.gz LWNXZMWFPFFKMP-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186362338 796393971 /nfs/dbraw/zinc/39/39/71/796393971.db2.gz IZCJSTRAFLZGGZ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C[NH+]1CC2(C1)CC[NH+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141112875 796634675 /nfs/dbraw/zinc/63/46/75/796634675.db2.gz PSDHDIREOHBDTK-UHFFFAOYSA-N 2 1 310.854 2.383 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105812 796652276 /nfs/dbraw/zinc/65/22/76/796652276.db2.gz YKCREUHVZQIGOR-CABCVRRESA-N 2 1 307.482 2.310 20 30 DEEDMP CSc1nc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1C#N ZINC001141934138 796699503 /nfs/dbraw/zinc/69/95/03/796699503.db2.gz FLGGGNPGKMNSMR-KGLIPLIRSA-N 2 1 302.447 2.059 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153432279 797338541 /nfs/dbraw/zinc/33/85/41/797338541.db2.gz ISENKEGCFYLFBN-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153432279 797338547 /nfs/dbraw/zinc/33/85/47/797338547.db2.gz ISENKEGCFYLFBN-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192865442 797457070 /nfs/dbraw/zinc/45/70/70/797457070.db2.gz ASYFFOGZYSMBBV-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192865442 797457073 /nfs/dbraw/zinc/45/70/73/797457073.db2.gz ASYFFOGZYSMBBV-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116277 797466157 /nfs/dbraw/zinc/46/61/57/797466157.db2.gz FKVQKCUUYNHHAR-CYBMUJFWSA-N 2 1 300.406 2.269 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455462 797538235 /nfs/dbraw/zinc/53/82/35/797538235.db2.gz RJIFEJXUPPWQBC-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488171 797574092 /nfs/dbraw/zinc/57/40/92/797574092.db2.gz LQGRCIXQXJOAJK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001155600338 797800973 /nfs/dbraw/zinc/80/09/73/797800973.db2.gz VBFLNEMRYPEZEF-YOEHRIQHSA-N 2 1 300.406 2.027 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318684 797973637 /nfs/dbraw/zinc/97/36/37/797973637.db2.gz FLBJRMNQFBQCNO-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318684 797973643 /nfs/dbraw/zinc/97/36/43/797973643.db2.gz FLBJRMNQFBQCNO-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318684 797973649 /nfs/dbraw/zinc/97/36/49/797973649.db2.gz FLBJRMNQFBQCNO-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138366 798148537 /nfs/dbraw/zinc/14/85/37/798148537.db2.gz XFRHMMHLLHUNMC-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477217 798193456 /nfs/dbraw/zinc/19/34/56/798193456.db2.gz DJSNEBKZESHKGS-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453617 798195943 /nfs/dbraw/zinc/19/59/43/798195943.db2.gz IJERYSFGDAILIW-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453617 798195947 /nfs/dbraw/zinc/19/59/47/798195947.db2.gz IJERYSFGDAILIW-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198098182 798280234 /nfs/dbraw/zinc/28/02/34/798280234.db2.gz QISRZOSKRVTGPE-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198098182 798280236 /nfs/dbraw/zinc/28/02/36/798280236.db2.gz QISRZOSKRVTGPE-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198098182 798280240 /nfs/dbraw/zinc/28/02/40/798280240.db2.gz QISRZOSKRVTGPE-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973859 798318673 /nfs/dbraw/zinc/31/86/73/798318673.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973859 798318675 /nfs/dbraw/zinc/31/86/75/798318675.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973859 798318680 /nfs/dbraw/zinc/31/86/80/798318680.db2.gz UKZPGSOKADCMDC-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097373 798341470 /nfs/dbraw/zinc/34/14/70/798341470.db2.gz ANLOZRLAICHJJS-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160682518 798721796 /nfs/dbraw/zinc/72/17/96/798721796.db2.gz CHUKWSLUTIYONI-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160682518 798721801 /nfs/dbraw/zinc/72/18/01/798721801.db2.gz CHUKWSLUTIYONI-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001160953484 798769240 /nfs/dbraw/zinc/76/92/40/798769240.db2.gz BVQADPXDDRGCDF-HNNXBMFYSA-N 2 1 301.438 2.006 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553526 798883297 /nfs/dbraw/zinc/88/32/97/798883297.db2.gz CSIBZXMBRAAIQU-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645337 798902457 /nfs/dbraw/zinc/90/24/57/798902457.db2.gz DBYASAROXUWYSF-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645337 798902460 /nfs/dbraw/zinc/90/24/60/798902460.db2.gz DBYASAROXUWYSF-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645337 798902466 /nfs/dbraw/zinc/90/24/66/798902466.db2.gz DBYASAROXUWYSF-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161698875 798915637 /nfs/dbraw/zinc/91/56/37/798915637.db2.gz FGPJTYIGPIYDPK-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698875 798915640 /nfs/dbraw/zinc/91/56/40/798915640.db2.gz FGPJTYIGPIYDPK-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698875 798915644 /nfs/dbraw/zinc/91/56/44/798915644.db2.gz FGPJTYIGPIYDPK-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693916 798969586 /nfs/dbraw/zinc/96/95/86/798969586.db2.gz WAJXZUMHMMONHK-NCOADZHNSA-N 2 1 307.482 2.260 20 30 DEEDMP CC(=NCc1cccc(C[NH3+])c1)Nc1cc(N(C)C)[nH+]c(C)n1 ZINC001163467001 799352283 /nfs/dbraw/zinc/35/22/83/799352283.db2.gz XGZQJPCINITYRK-UHFFFAOYSA-N 2 1 312.421 2.340 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728672 799766769 /nfs/dbraw/zinc/76/67/69/799766769.db2.gz QWRSKSWPEXHHGN-SJORKVTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728402 799766871 /nfs/dbraw/zinc/76/68/71/799766871.db2.gz QWRSKSWPEXHHGN-DLBZAZTESA-N 2 1 319.493 2.456 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926716 799796845 /nfs/dbraw/zinc/79/68/45/799796845.db2.gz ADEOUDVRXGKYFJ-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687506 799922351 /nfs/dbraw/zinc/92/23/51/799922351.db2.gz UIAXKKQWJSSTKX-KRWDZBQOSA-N 2 1 313.461 2.261 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699592 799925658 /nfs/dbraw/zinc/92/56/58/799925658.db2.gz RTOCBECDFAINJD-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166750595 799940946 /nfs/dbraw/zinc/94/09/46/799940946.db2.gz IIHUCMFEPUACGU-UHFFFAOYSA-N 2 1 317.477 2.223 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166842026 799962235 /nfs/dbraw/zinc/96/22/35/799962235.db2.gz HXNHZDQYCGYTQG-HOTGVXAUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203578226 800083887 /nfs/dbraw/zinc/08/38/87/800083887.db2.gz VSBGYCBLABGBDI-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP N#Cc1ccc(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000933614962 800138731 /nfs/dbraw/zinc/13/87/31/800138731.db2.gz ZHOLVXFRFZHAFF-LJQANCHMSA-N 2 1 313.445 2.194 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204793843 800258113 /nfs/dbraw/zinc/25/81/13/800258113.db2.gz PHDFAJYUDGWVMW-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP Cn1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205796820 800421836 /nfs/dbraw/zinc/42/18/36/800421836.db2.gz UDIZJSCDBASRNM-CQSZACIVSA-N 2 1 318.371 2.466 20 30 DEEDMP Cn1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205796820 800421840 /nfs/dbraw/zinc/42/18/40/800421840.db2.gz UDIZJSCDBASRNM-CQSZACIVSA-N 2 1 318.371 2.466 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684021 800806777 /nfs/dbraw/zinc/80/67/77/800806777.db2.gz JSEUJEWQYUMTLX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150522 800850386 /nfs/dbraw/zinc/85/03/86/800850386.db2.gz OPULDKMVQBFTMD-ZACQAIPSSA-N 2 1 316.449 2.269 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150522 800850391 /nfs/dbraw/zinc/85/03/91/800850391.db2.gz OPULDKMVQBFTMD-ZACQAIPSSA-N 2 1 316.449 2.269 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208352568 800962283 /nfs/dbraw/zinc/96/22/83/800962283.db2.gz IPYFBYGNJZVDBI-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001208352568 800962287 /nfs/dbraw/zinc/96/22/87/800962287.db2.gz IPYFBYGNJZVDBI-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001208355677 800964802 /nfs/dbraw/zinc/96/48/02/800964802.db2.gz GDPPBLGMMLHANE-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001208355677 800964812 /nfs/dbraw/zinc/96/48/12/800964812.db2.gz GDPPBLGMMLHANE-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473786 800991025 /nfs/dbraw/zinc/99/10/25/800991025.db2.gz DXSGGPCFABECFL-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001209427279 801190904 /nfs/dbraw/zinc/19/09/04/801190904.db2.gz MNWYUQHOXBOSAZ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592201 801431799 /nfs/dbraw/zinc/43/17/99/801431799.db2.gz UVLYBDUQEJXALO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612504 801436838 /nfs/dbraw/zinc/43/68/38/801436838.db2.gz BVLYIDJWODIBPR-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612504 801436841 /nfs/dbraw/zinc/43/68/41/801436841.db2.gz BVLYIDJWODIBPR-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612504 801436846 /nfs/dbraw/zinc/43/68/46/801436846.db2.gz BVLYIDJWODIBPR-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072662 801508560 /nfs/dbraw/zinc/50/85/60/801508560.db2.gz UPOXUMKSIWTPSO-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444341 801567208 /nfs/dbraw/zinc/56/72/08/801567208.db2.gz VTHIUGDUYJIOJZ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817528 802617973 /nfs/dbraw/zinc/61/79/73/802617973.db2.gz WSDVKFDAMGSYHS-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817528 802617976 /nfs/dbraw/zinc/61/79/76/802617976.db2.gz WSDVKFDAMGSYHS-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817528 802617978 /nfs/dbraw/zinc/61/79/78/802617978.db2.gz WSDVKFDAMGSYHS-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091899 802641410 /nfs/dbraw/zinc/64/14/10/802641410.db2.gz CDYWJKAYXQNXJW-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091899 802641413 /nfs/dbraw/zinc/64/14/13/802641413.db2.gz CDYWJKAYXQNXJW-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092569 802641460 /nfs/dbraw/zinc/64/14/60/802641460.db2.gz SJKCRILVNDIYSG-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092569 802641463 /nfs/dbraw/zinc/64/14/63/802641463.db2.gz SJKCRILVNDIYSG-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001222707260 802731527 /nfs/dbraw/zinc/73/15/27/802731527.db2.gz BFWPSJJHFDUGRK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707260 802731531 /nfs/dbraw/zinc/73/15/31/802731531.db2.gz BFWPSJJHFDUGRK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001222707260 802731536 /nfs/dbraw/zinc/73/15/36/802731536.db2.gz BFWPSJJHFDUGRK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891551 802747859 /nfs/dbraw/zinc/74/78/59/802747859.db2.gz DWGBJMLGHBEOKE-BPQIPLTHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976332 802754395 /nfs/dbraw/zinc/75/43/95/802754395.db2.gz LPWSDMUGVSETNA-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249894 802774980 /nfs/dbraw/zinc/77/49/80/802774980.db2.gz QOWRVAUBMHZSLO-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962841 802825702 /nfs/dbraw/zinc/82/57/02/802825702.db2.gz WIOUBHUYXRALAM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962841 802825704 /nfs/dbraw/zinc/82/57/04/802825704.db2.gz WIOUBHUYXRALAM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962841 802825710 /nfs/dbraw/zinc/82/57/10/802825710.db2.gz WIOUBHUYXRALAM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224558846 802881919 /nfs/dbraw/zinc/88/19/19/802881919.db2.gz IUXDXXBREREIRG-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC(C)C)CC1 ZINC001227849044 803287977 /nfs/dbraw/zinc/28/79/77/803287977.db2.gz JEONSGDZLZQLPE-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC(C)C)CC1 ZINC001227849044 803287981 /nfs/dbraw/zinc/28/79/81/803287981.db2.gz JEONSGDZLZQLPE-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001351165813 1151481477 /nfs/dbraw/zinc/48/14/77/1151481477.db2.gz QJVIGZWQLWWEGT-LZLYRXPVSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001500106615 1058495700 /nfs/dbraw/zinc/49/57/00/1058495700.db2.gz IHIYZRRNTUWZHJ-SZMVWBNQSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001500295422 1058672153 /nfs/dbraw/zinc/67/21/53/1058672153.db2.gz KNQUOYRIIVBFGQ-LJQANCHMSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001500295422 1058672161 /nfs/dbraw/zinc/67/21/61/1058672161.db2.gz KNQUOYRIIVBFGQ-LJQANCHMSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001500295422 1058672178 /nfs/dbraw/zinc/67/21/78/1058672178.db2.gz KNQUOYRIIVBFGQ-LJQANCHMSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001500295422 1058672192 /nfs/dbraw/zinc/67/21/92/1058672192.db2.gz KNQUOYRIIVBFGQ-LJQANCHMSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001505791981 1060969946 /nfs/dbraw/zinc/96/99/46/1060969946.db2.gz UJQPJYOJGWVCOX-UHFFFAOYSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479251398 1061329847 /nfs/dbraw/zinc/32/98/47/1061329847.db2.gz FZXVTWIPHIDVHC-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001479791771 1061774989 /nfs/dbraw/zinc/77/49/89/1061774989.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001479791771 1061775009 /nfs/dbraw/zinc/77/50/09/1061775009.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001479791771 1061775027 /nfs/dbraw/zinc/77/50/27/1061775027.db2.gz SGMOYRWADOQCIZ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001479843500 1061890159 /nfs/dbraw/zinc/89/01/59/1061890159.db2.gz GDZKAXOFHLBRNI-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001479843500 1061890191 /nfs/dbraw/zinc/89/01/91/1061890191.db2.gz GDZKAXOFHLBRNI-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001479843500 1061890220 /nfs/dbraw/zinc/89/02/20/1061890220.db2.gz GDZKAXOFHLBRNI-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001506489099 1062035748 /nfs/dbraw/zinc/03/57/48/1062035748.db2.gz OHYQXZFXOCNCAQ-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088546 1062307330 /nfs/dbraw/zinc/30/73/30/1062307330.db2.gz JDNDXVNRAGAPAC-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480088546 1062307351 /nfs/dbraw/zinc/30/73/51/1062307351.db2.gz JDNDXVNRAGAPAC-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480088546 1062307372 /nfs/dbraw/zinc/30/73/72/1062307372.db2.gz JDNDXVNRAGAPAC-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448886 /nfs/dbraw/zinc/44/88/86/1062448886.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448892 /nfs/dbraw/zinc/44/88/92/1062448892.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001506864302 1062448900 /nfs/dbraw/zinc/44/89/00/1062448900.db2.gz HYMAHIVDWLASOL-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480255164 1062538603 /nfs/dbraw/zinc/53/86/03/1062538603.db2.gz QRIMJTHTSTZOQY-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480255164 1062538623 /nfs/dbraw/zinc/53/86/23/1062538623.db2.gz QRIMJTHTSTZOQY-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480255164 1062538644 /nfs/dbraw/zinc/53/86/44/1062538644.db2.gz QRIMJTHTSTZOQY-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480264079 1062557340 /nfs/dbraw/zinc/55/73/40/1062557340.db2.gz VEIQEWVNJAQREX-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480264079 1062557352 /nfs/dbraw/zinc/55/73/52/1062557352.db2.gz VEIQEWVNJAQREX-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CCC[N@H+](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001506978459 1062623606 /nfs/dbraw/zinc/62/36/06/1062623606.db2.gz OULIAWJIBOYOBT-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001508231295 1063624042 /nfs/dbraw/zinc/62/40/42/1063624042.db2.gz XSMDMLRUCDGFQD-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001567442192 1064201296 /nfs/dbraw/zinc/20/12/96/1064201296.db2.gz GQQMHCRQAOARRY-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001567442192 1064201299 /nfs/dbraw/zinc/20/12/99/1064201299.db2.gz GQQMHCRQAOARRY-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494320373 1064211878 /nfs/dbraw/zinc/21/18/78/1064211878.db2.gz YFCNZGNCCVMDLE-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494417002 1064247102 /nfs/dbraw/zinc/24/71/02/1064247102.db2.gz KRXVSNYDHNRFPP-UHFFFAOYSA-N 2 1 305.466 2.162 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567702922 1064362399 /nfs/dbraw/zinc/36/23/99/1064362399.db2.gz NMHITMXJWPSTJG-INIZCTEOSA-N 2 1 324.428 2.108 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567729806 1064380686 /nfs/dbraw/zinc/38/06/86/1064380686.db2.gz OITYDVJHWRRHOY-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567729806 1064380692 /nfs/dbraw/zinc/38/06/92/1064380692.db2.gz OITYDVJHWRRHOY-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567729806 1064380699 /nfs/dbraw/zinc/38/06/99/1064380699.db2.gz OITYDVJHWRRHOY-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567775242 1064414704 /nfs/dbraw/zinc/41/47/04/1064414704.db2.gz YPTLTVOXNCWYGX-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001495188368 1064751819 /nfs/dbraw/zinc/75/18/19/1064751819.db2.gz OCFFVUNCCRTNQA-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568535574 1064946924 /nfs/dbraw/zinc/94/69/24/1064946924.db2.gz FQRVDRHVOACOAB-HOTGVXAUSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569247390 1065392904 /nfs/dbraw/zinc/39/29/04/1065392904.db2.gz NOUDERPQNGYIPI-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001569864649 1065775014 /nfs/dbraw/zinc/77/50/14/1065775014.db2.gz FDBRAFFVXUNSQN-QAQDUYKDSA-N 2 1 321.509 2.110 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569984148 1065859517 /nfs/dbraw/zinc/85/95/17/1065859517.db2.gz QGPVDDIVDIRXRP-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570005140 1065873687 /nfs/dbraw/zinc/87/36/87/1065873687.db2.gz MEGHQKLCNUFAQP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001570255077 1065992234 /nfs/dbraw/zinc/99/22/34/1065992234.db2.gz OVDXBWCMUFJUGQ-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001497257747 1065992792 /nfs/dbraw/zinc/99/27/92/1065992792.db2.gz VTJIWACOMXOXGQ-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274517 1066000425 /nfs/dbraw/zinc/00/04/25/1066000425.db2.gz FHWZWHYNMJGWGV-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001570465235 1066084321 /nfs/dbraw/zinc/08/43/21/1066084321.db2.gz NXCJAZHHQVASDS-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC(C)(C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001632011646 1078377077 /nfs/dbraw/zinc/37/70/77/1078377077.db2.gz LHXOTLOZWBSVBB-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379668 1066666298 /nfs/dbraw/zinc/66/62/98/1066666298.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498379668 1066666305 /nfs/dbraw/zinc/66/63/05/1066666305.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498379668 1066666311 /nfs/dbraw/zinc/66/63/11/1066666311.db2.gz ATILBOQXRLMNAB-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379667 1066666718 /nfs/dbraw/zinc/66/67/18/1066666718.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498379667 1066666725 /nfs/dbraw/zinc/66/67/25/1066666725.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498379667 1066666729 /nfs/dbraw/zinc/66/67/29/1066666729.db2.gz ATILBOQXRLMNAB-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP Cc1cc(C[NH2+]CCCCC[NH+]2CCNCC2)ccc1C#N ZINC001579601144 1067380827 /nfs/dbraw/zinc/38/08/27/1067380827.db2.gz JSHZCBCBOWCTFR-UHFFFAOYSA-N 2 1 300.450 2.032 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267114901 1078592748 /nfs/dbraw/zinc/59/27/48/1078592748.db2.gz MXTNTSCGXOEQHT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267114901 1078592754 /nfs/dbraw/zinc/59/27/54/1078592754.db2.gz MXTNTSCGXOEQHT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001570754064 1068109331 /nfs/dbraw/zinc/10/93/31/1068109331.db2.gz WFLSTSRRERMQQO-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001570754064 1068109333 /nfs/dbraw/zinc/10/93/33/1068109333.db2.gz WFLSTSRRERMQQO-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001571505729 1068363850 /nfs/dbraw/zinc/36/38/50/1068363850.db2.gz VTXSLRJDEQDACC-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571505729 1068363862 /nfs/dbraw/zinc/36/38/62/1068363862.db2.gz VTXSLRJDEQDACC-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001571505729 1068363878 /nfs/dbraw/zinc/36/38/78/1068363878.db2.gz VTXSLRJDEQDACC-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001267334011 1078772862 /nfs/dbraw/zinc/77/28/62/1078772862.db2.gz UVRGZZQPUDNJJC-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357865 1078790581 /nfs/dbraw/zinc/79/05/81/1078790581.db2.gz SQZVSYJVPPYPCO-QZTJIDSGSA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459763 1078868465 /nfs/dbraw/zinc/86/84/65/1078868465.db2.gz MPORELOMBTVAGA-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267562991 1078996229 /nfs/dbraw/zinc/99/62/29/1078996229.db2.gz PODVRHMACMQZRY-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267588157 1079096658 /nfs/dbraw/zinc/09/66/58/1079096658.db2.gz URAKVBRAEHYLIK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCN1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)C1=O ZINC001272672189 1079107647 /nfs/dbraw/zinc/10/76/47/1079107647.db2.gz FSSDNWAMBCYYSV-UHFFFAOYSA-N 2 1 322.412 2.011 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272674241 1079110810 /nfs/dbraw/zinc/11/08/10/1079110810.db2.gz WCJVGQSQCGFJQE-IAGOWNOFSA-N 2 1 310.401 2.314 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272674241 1079110812 /nfs/dbraw/zinc/11/08/12/1079110812.db2.gz WCJVGQSQCGFJQE-IAGOWNOFSA-N 2 1 310.401 2.314 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595305 1079111689 /nfs/dbraw/zinc/11/16/89/1079111689.db2.gz HISXPJVLVUWCMV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267595260 1079111934 /nfs/dbraw/zinc/11/19/34/1079111934.db2.gz GYLBERKVSBGWFQ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001329342361 1148886433 /nfs/dbraw/zinc/88/64/33/1148886433.db2.gz XKIXZELOGAGCFF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC/C=C\CC ZINC001483932972 1079194060 /nfs/dbraw/zinc/19/40/60/1079194060.db2.gz BDIPHHPZQLZRJX-SLXDBMQSSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC/C=C\CC ZINC001483932972 1079194063 /nfs/dbraw/zinc/19/40/63/1079194063.db2.gz BDIPHHPZQLZRJX-SLXDBMQSSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997332 1079231239 /nfs/dbraw/zinc/23/12/39/1079231239.db2.gz WJSRGGWFHMLMRQ-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484176135 1079346959 /nfs/dbraw/zinc/34/69/59/1079346959.db2.gz WBHVZUYCKRWNTA-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484176135 1079346963 /nfs/dbraw/zinc/34/69/63/1079346963.db2.gz WBHVZUYCKRWNTA-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001565771231 1075186681 /nfs/dbraw/zinc/18/66/81/1075186681.db2.gz HYAQOLHCUZLRKA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001565824636 1075189835 /nfs/dbraw/zinc/18/98/35/1075189835.db2.gz KWHVJLLEJSDEQW-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565824636 1075189843 /nfs/dbraw/zinc/18/98/43/1075189843.db2.gz KWHVJLLEJSDEQW-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565824636 1075189847 /nfs/dbraw/zinc/18/98/47/1075189847.db2.gz KWHVJLLEJSDEQW-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001565906879 1075205447 /nfs/dbraw/zinc/20/54/47/1075205447.db2.gz RGQIJGRCNNTAAO-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566027789 1075218332 /nfs/dbraw/zinc/21/83/32/1075218332.db2.gz ZICTUFWHTLDQAQ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001566049372 1075220983 /nfs/dbraw/zinc/22/09/83/1075220983.db2.gz AJRMOPYGJPZSKI-IKGGRYGDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267689974 1079376726 /nfs/dbraw/zinc/37/67/26/1079376726.db2.gz JUUNALPLJZRSFG-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267689974 1079376737 /nfs/dbraw/zinc/37/67/37/1079376737.db2.gz JUUNALPLJZRSFG-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001566490800 1075259307 /nfs/dbraw/zinc/25/93/07/1075259307.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001566490800 1075259309 /nfs/dbraw/zinc/25/93/09/1075259309.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001566490800 1075259312 /nfs/dbraw/zinc/25/93/12/1075259312.db2.gz CYOGDQWTGFUJEQ-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267697671 1079385086 /nfs/dbraw/zinc/38/50/86/1079385086.db2.gz TYSSJCCURUSZSM-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001566739282 1075330670 /nfs/dbraw/zinc/33/06/70/1075330670.db2.gz WRFNGSQPTBZRJI-MRXNPFEDSA-N 2 1 324.428 2.060 20 30 DEEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001267729810 1079421789 /nfs/dbraw/zinc/42/17/89/1079421789.db2.gz GVHBFVQVZZJTIP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001267729810 1079421790 /nfs/dbraw/zinc/42/17/90/1079421790.db2.gz GVHBFVQVZZJTIP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001267729810 1079421794 /nfs/dbraw/zinc/42/17/94/1079421794.db2.gz GVHBFVQVZZJTIP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484399706 1079591552 /nfs/dbraw/zinc/59/15/52/1079591552.db2.gz SPEKQZGBMAUHID-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001484561413 1079660369 /nfs/dbraw/zinc/66/03/69/1079660369.db2.gz BHNZCJKJMOHTCH-HNNXBMFYSA-N 2 1 324.428 2.182 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCC)CC1 ZINC001484716502 1079741702 /nfs/dbraw/zinc/74/17/02/1079741702.db2.gz LBHFKQUDBITCDI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCC)CC1 ZINC001484716502 1079741710 /nfs/dbraw/zinc/74/17/10/1079741710.db2.gz LBHFKQUDBITCDI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCC)CC1 ZINC001484716502 1079741717 /nfs/dbraw/zinc/74/17/17/1079741717.db2.gz LBHFKQUDBITCDI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCC)CC1 ZINC001484716502 1079741725 /nfs/dbraw/zinc/74/17/25/1079741725.db2.gz LBHFKQUDBITCDI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCC)CC1 ZINC001484716502 1079741728 /nfs/dbraw/zinc/74/17/28/1079741728.db2.gz LBHFKQUDBITCDI-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110198 /nfs/dbraw/zinc/11/01/98/1080110198.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110201 /nfs/dbraw/zinc/11/02/01/1080110201.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001656653183 1080110206 /nfs/dbraw/zinc/11/02/06/1080110206.db2.gz WHOCMRUURDJGAF-KBAYOESNSA-N 2 1 319.493 2.262 20 30 DEEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001485434127 1080205119 /nfs/dbraw/zinc/20/51/19/1080205119.db2.gz JXXHHDKOCUOBAO-MSOLQXFVSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001485658362 1080349826 /nfs/dbraw/zinc/34/98/26/1080349826.db2.gz SFDJAPGYLUMQDQ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001660833819 1080404886 /nfs/dbraw/zinc/40/48/86/1080404886.db2.gz VDLVZGRUSMUPBM-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001660833819 1080404888 /nfs/dbraw/zinc/40/48/88/1080404888.db2.gz VDLVZGRUSMUPBM-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001660833819 1080404889 /nfs/dbraw/zinc/40/48/89/1080404889.db2.gz VDLVZGRUSMUPBM-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485761735 1080418016 /nfs/dbraw/zinc/41/80/16/1080418016.db2.gz ZPLAAVRBQNTSQA-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001661235833 1080460386 /nfs/dbraw/zinc/46/03/86/1080460386.db2.gz PPDYHPYKWUDKJM-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001272715297 1080481576 /nfs/dbraw/zinc/48/15/76/1080481576.db2.gz ZRBGTMVKNGWZPD-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001661934200 1080547106 /nfs/dbraw/zinc/54/71/06/1080547106.db2.gz LGSRBXWOVZAWGZ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673406749 1080659006 /nfs/dbraw/zinc/65/90/06/1080659006.db2.gz IVPXCKZXGRRBJD-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663120240 1080706529 /nfs/dbraw/zinc/70/65/29/1080706529.db2.gz RQLXWCFKWUERIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663120240 1080706536 /nfs/dbraw/zinc/70/65/36/1080706536.db2.gz RQLXWCFKWUERIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663120240 1080706541 /nfs/dbraw/zinc/70/65/41/1080706541.db2.gz RQLXWCFKWUERIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761102 1080814419 /nfs/dbraw/zinc/81/44/19/1080814419.db2.gz HXPLAMJRJQMDCF-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001663761102 1080814425 /nfs/dbraw/zinc/81/44/25/1080814425.db2.gz HXPLAMJRJQMDCF-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001663761102 1080814432 /nfs/dbraw/zinc/81/44/32/1080814432.db2.gz HXPLAMJRJQMDCF-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001482158856 1080868319 /nfs/dbraw/zinc/86/83/19/1080868319.db2.gz IDUAVRYMWFNICA-AEFFLSMTSA-N 2 1 315.461 2.045 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599523 1080931857 /nfs/dbraw/zinc/93/18/57/1080931857.db2.gz SHEMCDWOYPDXOW-WMZOPIPTSA-N 2 1 315.461 2.351 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001664876439 1080974518 /nfs/dbraw/zinc/97/45/18/1080974518.db2.gz WQMRWYNSIDNKQU-KRWDZBQOSA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001665200009 1080999331 /nfs/dbraw/zinc/99/93/31/1080999331.db2.gz HUPWDPIBPKHKJU-RDJZCZTQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001665200009 1080999336 /nfs/dbraw/zinc/99/93/36/1080999336.db2.gz HUPWDPIBPKHKJU-RDJZCZTQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269092177 1081114239 /nfs/dbraw/zinc/11/42/39/1081114239.db2.gz QAMUQQHGVBLFPM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269092177 1081114241 /nfs/dbraw/zinc/11/42/41/1081114241.db2.gz QAMUQQHGVBLFPM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001666129666 1081126641 /nfs/dbraw/zinc/12/66/41/1081126641.db2.gz HKMNRWLKELZHDM-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001666158312 1081128898 /nfs/dbraw/zinc/12/88/98/1081128898.db2.gz YHLVXYOMLZRUAB-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001667028066 1081203304 /nfs/dbraw/zinc/20/33/04/1081203304.db2.gz DLQJMYBQGMCUHC-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269356561 1081226268 /nfs/dbraw/zinc/22/62/68/1081226268.db2.gz RMBNTEDCUWDEEA-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501087 1081354434 /nfs/dbraw/zinc/35/44/34/1081354434.db2.gz OMWOQRNHGHJDPR-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501087 1081354436 /nfs/dbraw/zinc/35/44/36/1081354436.db2.gz OMWOQRNHGHJDPR-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501087 1081354441 /nfs/dbraw/zinc/35/44/41/1081354441.db2.gz OMWOQRNHGHJDPR-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501088 1081355058 /nfs/dbraw/zinc/35/50/58/1081355058.db2.gz OMWOQRNHGHJDPR-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501088 1081355066 /nfs/dbraw/zinc/35/50/66/1081355066.db2.gz OMWOQRNHGHJDPR-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501088 1081355071 /nfs/dbraw/zinc/35/50/71/1081355071.db2.gz OMWOQRNHGHJDPR-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001270309036 1081498458 /nfs/dbraw/zinc/49/84/58/1081498458.db2.gz SSZLVPZNUBNTHH-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001671555390 1081523436 /nfs/dbraw/zinc/52/34/36/1081523436.db2.gz ZCIULVRCIXFSIG-INIZCTEOSA-N 2 1 309.498 2.415 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001270458050 1081530276 /nfs/dbraw/zinc/53/02/76/1081530276.db2.gz JMZWVCNIHOUFDD-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001673241792 1081748465 /nfs/dbraw/zinc/74/84/65/1081748465.db2.gz CTOGDRSFFDXLEV-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001673933292 1081815032 /nfs/dbraw/zinc/81/50/32/1081815032.db2.gz HAHPTDZDCQLPPU-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001673933292 1081815036 /nfs/dbraw/zinc/81/50/36/1081815036.db2.gz HAHPTDZDCQLPPU-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674032920 1081830396 /nfs/dbraw/zinc/83/03/96/1081830396.db2.gz BTAKXULBDAHETE-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001674457811 1081874679 /nfs/dbraw/zinc/87/46/79/1081874679.db2.gz NRHVNKVLMAAJQK-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001266314277 1081965606 /nfs/dbraw/zinc/96/56/06/1081965606.db2.gz VGOYFWJBEGCOSL-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266314277 1081965609 /nfs/dbraw/zinc/96/56/09/1081965609.db2.gz VGOYFWJBEGCOSL-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001266314277 1081965610 /nfs/dbraw/zinc/96/56/10/1081965610.db2.gz VGOYFWJBEGCOSL-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001266314278 1081965793 /nfs/dbraw/zinc/96/57/93/1081965793.db2.gz VGOYFWJBEGCOSL-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001266314278 1081965799 /nfs/dbraw/zinc/96/57/99/1081965799.db2.gz VGOYFWJBEGCOSL-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001266314278 1081965802 /nfs/dbraw/zinc/96/58/02/1081965802.db2.gz VGOYFWJBEGCOSL-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266328241 1081975301 /nfs/dbraw/zinc/97/53/01/1081975301.db2.gz XMCJYGBQMYGSOS-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266328241 1081975304 /nfs/dbraw/zinc/97/53/04/1081975304.db2.gz XMCJYGBQMYGSOS-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001266493743 1082073589 /nfs/dbraw/zinc/07/35/89/1082073589.db2.gz CTBGWXLAGHUQLQ-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001266493743 1082073593 /nfs/dbraw/zinc/07/35/93/1082073593.db2.gz CTBGWXLAGHUQLQ-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001266493743 1082073596 /nfs/dbraw/zinc/07/35/96/1082073596.db2.gz CTBGWXLAGHUQLQ-IYBDPMFKSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271646713 1082099363 /nfs/dbraw/zinc/09/93/63/1082099363.db2.gz YPTSCSMGNRQVDA-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482495844 1082120861 /nfs/dbraw/zinc/12/08/61/1082120861.db2.gz SWHLRFKYIVKTST-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCC)CC1 ZINC001271771964 1082150724 /nfs/dbraw/zinc/15/07/24/1082150724.db2.gz FEAMDUXCJRYSCN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCC)CC1 ZINC001271771964 1082150726 /nfs/dbraw/zinc/15/07/26/1082150726.db2.gz FEAMDUXCJRYSCN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC)CC1 ZINC001271771964 1082150728 /nfs/dbraw/zinc/15/07/28/1082150728.db2.gz FEAMDUXCJRYSCN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CCC)CC1 ZINC001271771964 1082150730 /nfs/dbraw/zinc/15/07/30/1082150730.db2.gz FEAMDUXCJRYSCN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001271778944 1082152825 /nfs/dbraw/zinc/15/28/25/1082152825.db2.gz QBNDPLVIVSHLTC-SFHVURJKSA-N 2 1 321.509 2.156 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001271789942 1082155155 /nfs/dbraw/zinc/15/51/55/1082155155.db2.gz DNTQXONZEAPHFT-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001482571712 1082253377 /nfs/dbraw/zinc/25/33/77/1082253377.db2.gz NXEKSDYANUMCDY-ZWKOTPCHSA-N 2 1 315.461 2.043 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001417857791 1082266402 /nfs/dbraw/zinc/26/64/02/1082266402.db2.gz MNINBPNPBOIPMQ-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001417857791 1082266407 /nfs/dbraw/zinc/26/64/07/1082266407.db2.gz MNINBPNPBOIPMQ-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482681577 1082475763 /nfs/dbraw/zinc/47/57/63/1082475763.db2.gz JWTHMDTXFQTTOB-DOTOQJQBSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211311070 1083554757 /nfs/dbraw/zinc/55/47/57/1083554757.db2.gz YXZPJWXOLFAZFB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001272762614 1083958092 /nfs/dbraw/zinc/95/80/92/1083958092.db2.gz BCARNWVPWSCTAQ-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](CC(F)F)C[C@H]3CC2)cc1C#N ZINC001277645738 1084073734 /nfs/dbraw/zinc/07/37/34/1084073734.db2.gz WEILCLGPSVKKHH-GASCZTMLSA-N 2 1 322.403 2.306 20 30 DEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC(F)F)C[C@H]3CC2)cc1C#N ZINC001277645738 1084073736 /nfs/dbraw/zinc/07/37/36/1084073736.db2.gz WEILCLGPSVKKHH-GASCZTMLSA-N 2 1 322.403 2.306 20 30 DEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CC(F)F)C[C@H]3CC2)cc1C#N ZINC001277645738 1084073742 /nfs/dbraw/zinc/07/37/42/1084073742.db2.gz WEILCLGPSVKKHH-GASCZTMLSA-N 2 1 322.403 2.306 20 30 DEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CC(F)F)C[C@H]3CC2)cc1C#N ZINC001277645738 1084073746 /nfs/dbraw/zinc/07/37/46/1084073746.db2.gz WEILCLGPSVKKHH-GASCZTMLSA-N 2 1 322.403 2.306 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491122399 1084088480 /nfs/dbraw/zinc/08/84/80/1084088480.db2.gz IYNRXUHMPAEQMD-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2cc[nH+]cc2)C3)cc1C#N ZINC001277695259 1084099620 /nfs/dbraw/zinc/09/96/20/1084099620.db2.gz XNTMBZDJRPGQJZ-QAPCUYQASA-N 2 1 307.401 2.002 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491173806 1084129285 /nfs/dbraw/zinc/12/92/85/1084129285.db2.gz UJMZHRUHNVDCPP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491247007 1084186055 /nfs/dbraw/zinc/18/60/55/1084186055.db2.gz IENKLQOOFYUOIZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001491260571 1084188442 /nfs/dbraw/zinc/18/84/42/1084188442.db2.gz ROQJNEGHUGNIQH-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281832 1084204648 /nfs/dbraw/zinc/20/46/48/1084204648.db2.gz LQKPKNNTKAFTEL-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277915353 1084266047 /nfs/dbraw/zinc/26/60/47/1084266047.db2.gz XRBRCBFPRAYIBV-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP N#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277945384 1084429591 /nfs/dbraw/zinc/42/95/91/1084429591.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[N@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277945384 1084429593 /nfs/dbraw/zinc/42/95/93/1084429593.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277945384 1084429597 /nfs/dbraw/zinc/42/95/97/1084429597.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277945384 1084429601 /nfs/dbraw/zinc/42/96/01/1084429601.db2.gz YSTGZBWXLBYWAL-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001494152262 1085288319 /nfs/dbraw/zinc/28/83/19/1085288319.db2.gz BHQOVLQMOUMUQG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494152262 1085288325 /nfs/dbraw/zinc/28/83/25/1085288325.db2.gz BHQOVLQMOUMUQG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494152262 1085288329 /nfs/dbraw/zinc/28/83/29/1085288329.db2.gz BHQOVLQMOUMUQG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603053 1088450324 /nfs/dbraw/zinc/45/03/24/1088450324.db2.gz MNOAWIOWGGSEDQ-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554613 1089062262 /nfs/dbraw/zinc/06/22/62/1089062262.db2.gz XXKQFMGYYLPMBM-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025387 1090599516 /nfs/dbraw/zinc/59/95/16/1090599516.db2.gz XWPONLITMAPBIX-IXDOHACOSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001275114734 1091566275 /nfs/dbraw/zinc/56/62/75/1091566275.db2.gz KQUDPIVVTWAFLS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275114734 1091566283 /nfs/dbraw/zinc/56/62/83/1091566283.db2.gz KQUDPIVVTWAFLS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275114734 1091566288 /nfs/dbraw/zinc/56/62/88/1091566288.db2.gz KQUDPIVVTWAFLS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628949 1091924632 /nfs/dbraw/zinc/92/46/32/1091924632.db2.gz IDKMKUGSEFYXIR-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628949 1091924638 /nfs/dbraw/zinc/92/46/38/1091924638.db2.gz IDKMKUGSEFYXIR-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653162 1091951402 /nfs/dbraw/zinc/95/14/02/1091951402.db2.gz CGPXRPKDWAVVIK-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653162 1091951411 /nfs/dbraw/zinc/95/14/11/1091951411.db2.gz CGPXRPKDWAVVIK-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488689265 1092688312 /nfs/dbraw/zinc/68/83/12/1092688312.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001488689265 1092688317 /nfs/dbraw/zinc/68/83/17/1092688317.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488689265 1092688321 /nfs/dbraw/zinc/68/83/21/1092688321.db2.gz KVZZWQBIVMJJDT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001488916716 1092815161 /nfs/dbraw/zinc/81/51/61/1092815161.db2.gz CFIGAPVQKNGBQU-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001488993084 1092871117 /nfs/dbraw/zinc/87/11/17/1092871117.db2.gz VXVXOPSTKMTYJP-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455366 1093392615 /nfs/dbraw/zinc/39/26/15/1093392615.db2.gz YJVKQIDNHCYUDH-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC001238412542 1138844462 /nfs/dbraw/zinc/84/44/62/1138844462.db2.gz HRXLKBPBMDMFOT-UHFFFAOYSA-N 2 1 308.385 2.284 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001318482206 1140346411 /nfs/dbraw/zinc/34/64/11/1140346411.db2.gz DZVROFXQSFWMGF-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318806095 1140424288 /nfs/dbraw/zinc/42/42/88/1140424288.db2.gz REDBUHCLNGPOOU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319617421 1140625314 /nfs/dbraw/zinc/62/53/14/1140625314.db2.gz BLSSTUGLASPNIF-SJLPKXTDSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CC[N@@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321867297 1141357822 /nfs/dbraw/zinc/35/78/22/1141357822.db2.gz KSOYZSIQVPKQTB-UHFFFAOYSA-N 2 1 321.440 2.212 20 30 DEEDMP C=CC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321867297 1141357830 /nfs/dbraw/zinc/35/78/30/1141357830.db2.gz KSOYZSIQVPKQTB-UHFFFAOYSA-N 2 1 321.440 2.212 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001323668729 1141875421 /nfs/dbraw/zinc/87/54/21/1141875421.db2.gz BWXZFQNCSHSPGI-ALOPSCKCSA-N 2 1 307.482 2.404 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650079 1143298714 /nfs/dbraw/zinc/29/87/14/1143298714.db2.gz SJOANCDHSCENJO-RDGPPVDQSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650079 1143298734 /nfs/dbraw/zinc/29/87/34/1143298734.db2.gz SJOANCDHSCENJO-RDGPPVDQSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001340882340 1143479039 /nfs/dbraw/zinc/47/90/39/1143479039.db2.gz XTAYWBDDYOJBGR-NXHRZFHOSA-N 2 1 315.461 2.449 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001341701324 1143673548 /nfs/dbraw/zinc/67/35/48/1143673548.db2.gz OIROUBYLPGJXJZ-ROUUACIJSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205769 1143835836 /nfs/dbraw/zinc/83/58/36/1143835836.db2.gz YUVNXHJTDJKIDP-MSOLQXFVSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205769 1143835837 /nfs/dbraw/zinc/83/58/37/1143835837.db2.gz YUVNXHJTDJKIDP-MSOLQXFVSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256627132 1143858296 /nfs/dbraw/zinc/85/82/96/1143858296.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627132 1143858297 /nfs/dbraw/zinc/85/82/97/1143858297.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001256627132 1143858298 /nfs/dbraw/zinc/85/82/98/1143858298.db2.gz ZSGYRZKXJBLRGB-JKHFOPOESA-N 2 1 320.477 2.438 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001278963395 1143866550 /nfs/dbraw/zinc/86/65/50/1143866550.db2.gz ALEFRILWNFSDBH-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258729461 1144036250 /nfs/dbraw/zinc/03/62/50/1144036250.db2.gz VIAXDWBFXRWYEF-MRXNPFEDSA-N 2 1 317.477 2.165 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170021 1144359519 /nfs/dbraw/zinc/35/95/19/1144359519.db2.gz FPMLOXZPCWWMLV-QZTJIDSGSA-N 2 1 315.461 2.308 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001263805568 1144396839 /nfs/dbraw/zinc/39/68/39/1144396839.db2.gz RCRISJIDYZMTAM-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001264030606 1144444468 /nfs/dbraw/zinc/44/44/68/1144444468.db2.gz UEDXTOUHUQRWHE-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264184683 1144500099 /nfs/dbraw/zinc/50/00/99/1144500099.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264184683 1144500105 /nfs/dbraw/zinc/50/01/05/1144500105.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264184683 1144500109 /nfs/dbraw/zinc/50/01/09/1144500109.db2.gz YCAZSCQWBVLMKQ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526385 1144709071 /nfs/dbraw/zinc/70/90/71/1144709071.db2.gz ZNQZZEIGRCYCGS-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265543618 1144710692 /nfs/dbraw/zinc/71/06/92/1144710692.db2.gz OEZVBORFMLMYRY-HLLBOEOZSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696835 1144730224 /nfs/dbraw/zinc/73/02/24/1144730224.db2.gz KIZICMVFXGNTJG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266099372 1144805316 /nfs/dbraw/zinc/80/53/16/1144805316.db2.gz FDIXOXALSNPMJP-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396286 1144821702 /nfs/dbraw/zinc/82/17/02/1144821702.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396286 1144821703 /nfs/dbraw/zinc/82/17/03/1144821703.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001279396286 1144821704 /nfs/dbraw/zinc/82/17/04/1144821704.db2.gz RZXQPOSTUHCFCW-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001280374199 1144837264 /nfs/dbraw/zinc/83/72/64/1144837264.db2.gz OHRCKBKMIFEPRO-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001281969959 1144925500 /nfs/dbraw/zinc/92/55/00/1144925500.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001281969959 1144925503 /nfs/dbraw/zinc/92/55/03/1144925503.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001281969959 1144925506 /nfs/dbraw/zinc/92/55/06/1144925506.db2.gz XTLJMCKHYWWGRS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001282559453 1145087509 /nfs/dbraw/zinc/08/75/09/1145087509.db2.gz YLBUNRIMZFAAED-MSOLQXFVSA-N 2 1 321.509 2.203 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001282559453 1145087516 /nfs/dbraw/zinc/08/75/16/1145087516.db2.gz YLBUNRIMZFAAED-MSOLQXFVSA-N 2 1 321.509 2.203 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001284131551 1145805222 /nfs/dbraw/zinc/80/52/22/1145805222.db2.gz QSHLQVVKLAJJSI-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491857454 1146922729 /nfs/dbraw/zinc/92/27/29/1146922729.db2.gz SLMUPSGFIUPJEA-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491878082 1146946579 /nfs/dbraw/zinc/94/65/79/1146946579.db2.gz RHOYLPROIPQFTH-CVEARBPZSA-N 2 1 319.493 2.290 20 30 DEEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947871 1147013776 /nfs/dbraw/zinc/01/37/76/1147013776.db2.gz YMFLMAQZWPKEAC-IAGOWNOFSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491950468 1147015581 /nfs/dbraw/zinc/01/55/81/1147015581.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491950468 1147015586 /nfs/dbraw/zinc/01/55/86/1147015586.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491950468 1147015591 /nfs/dbraw/zinc/01/55/91/1147015591.db2.gz AOHLYSYOOPMDRZ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001366333593 1147220179 /nfs/dbraw/zinc/22/01/79/1147220179.db2.gz KNVJHCPTHLMRBL-IUODEOHRSA-N 2 1 319.852 2.046 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205023 1147274893 /nfs/dbraw/zinc/27/48/93/1147274893.db2.gz OTKLNPDYFPJMNU-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317124350 1147662657 /nfs/dbraw/zinc/66/26/57/1147662657.db2.gz IZXFMVGVDVABGL-BBWFWOEESA-N 2 1 301.434 2.102 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317403678 1147701985 /nfs/dbraw/zinc/70/19/85/1147701985.db2.gz CROBQQSPYLIQOF-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317502937 1147716578 /nfs/dbraw/zinc/71/65/78/1147716578.db2.gz VJXHBAIVCLRUFD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502937 1147716579 /nfs/dbraw/zinc/71/65/79/1147716579.db2.gz VJXHBAIVCLRUFD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502937 1147716580 /nfs/dbraw/zinc/71/65/80/1147716580.db2.gz VJXHBAIVCLRUFD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721014 1147746972 /nfs/dbraw/zinc/74/69/72/1147746972.db2.gz QTGDFYUUHUWOQC-QZTJIDSGSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317781412 1147751525 /nfs/dbraw/zinc/75/15/25/1147751525.db2.gz CSNQSAAAHGUDAD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317781412 1147751526 /nfs/dbraw/zinc/75/15/26/1147751526.db2.gz CSNQSAAAHGUDAD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317781412 1147751528 /nfs/dbraw/zinc/75/15/28/1147751528.db2.gz CSNQSAAAHGUDAD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325945812 1148023178 /nfs/dbraw/zinc/02/31/78/1148023178.db2.gz JDOAPEGYKMGRPZ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001325955957 1148024799 /nfs/dbraw/zinc/02/47/99/1148024799.db2.gz NRXIAVMJNUXEJB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001325955957 1148024804 /nfs/dbraw/zinc/02/48/04/1148024804.db2.gz NRXIAVMJNUXEJB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001325955957 1148024810 /nfs/dbraw/zinc/02/48/10/1148024810.db2.gz NRXIAVMJNUXEJB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001368123391 1148253341 /nfs/dbraw/zinc/25/33/41/1148253341.db2.gz OJSZWLGDZVJWEU-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001368194445 1148317573 /nfs/dbraw/zinc/31/75/73/1148317573.db2.gz HUQUDYGQEOOLGI-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP N#Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051957891 354391536 /nfs/dbraw/zinc/39/15/36/354391536.db2.gz WRBXVPWNIWEAQX-UHFFFAOYSA-N 2 1 317.408 2.242 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000180998770 199238529 /nfs/dbraw/zinc/23/85/29/199238529.db2.gz QNMHNCWHJBCZPQ-HXUWFJFHSA-N 2 1 321.424 2.415 20 30 DEEDMP COc1ccccc1[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCCC1 ZINC000262667929 533011427 /nfs/dbraw/zinc/01/14/27/533011427.db2.gz PSJYCUVQGJOMGB-HOCLYGCPSA-N 2 1 316.449 2.160 20 30 DEEDMP COc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCCC2)cc1 ZINC000262472854 533178246 /nfs/dbraw/zinc/17/82/46/533178246.db2.gz BLOUNAIWKLQCSZ-YOEHRIQHSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085403139 401915697 /nfs/dbraw/zinc/91/56/97/401915697.db2.gz SWOCHVZHAQPPGB-RDJZCZTQSA-N 2 1 322.497 2.009 20 30 DEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465627 402125604 /nfs/dbraw/zinc/12/56/04/402125604.db2.gz IXFWIFKKFVLSSK-QGZVFWFLSA-N 2 1 300.450 2.468 20 30 DEEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000161507344 402389704 /nfs/dbraw/zinc/38/97/04/402389704.db2.gz FVMKERPQUDWYPE-HNNXBMFYSA-N 2 1 318.465 2.112 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910893 402540831 /nfs/dbraw/zinc/54/08/31/402540831.db2.gz WXWSMFWAOSKYBT-MRXNPFEDSA-N 2 1 318.465 2.362 20 30 DEEDMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000173617131 402704763 /nfs/dbraw/zinc/70/47/63/402704763.db2.gz MMTPSENCFJAOAK-HNNXBMFYSA-N 2 1 320.481 2.180 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277179007 403197963 /nfs/dbraw/zinc/19/79/63/403197963.db2.gz CKWAUMYLISZYIX-OAHLLOKOSA-N 2 1 318.465 2.477 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000345747058 403467351 /nfs/dbraw/zinc/46/73/51/403467351.db2.gz AZCDUQLDJQCICF-HZPDHXFCSA-N 2 1 322.497 2.151 20 30 DEEDMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1C#N ZINC000362965781 404027172 /nfs/dbraw/zinc/02/71/72/404027172.db2.gz FGLJHYNEWZITPZ-UHFFFAOYSA-N 2 1 312.461 2.080 20 30 DEEDMP N#Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344529815 404207631 /nfs/dbraw/zinc/20/76/31/404207631.db2.gz MVTLBAWKBKOTKE-FQEVSTJZSA-N 2 1 321.424 2.285 20 30 DEEDMP N#Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344529815 404207641 /nfs/dbraw/zinc/20/76/41/404207641.db2.gz MVTLBAWKBKOTKE-FQEVSTJZSA-N 2 1 321.424 2.285 20 30 DEEDMP C=CCC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064723 404389821 /nfs/dbraw/zinc/38/98/21/404389821.db2.gz IPUWEGQSTHGYHQ-HZPDHXFCSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064723 404389827 /nfs/dbraw/zinc/38/98/27/404389827.db2.gz IPUWEGQSTHGYHQ-HZPDHXFCSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064723 404389831 /nfs/dbraw/zinc/38/98/31/404389831.db2.gz IPUWEGQSTHGYHQ-HZPDHXFCSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CC[C@H]1[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760260 404726742 /nfs/dbraw/zinc/72/67/42/404726742.db2.gz QDGAUTAKXWCVIY-JKSUJKDBSA-N 2 1 307.482 2.250 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104563 404727845 /nfs/dbraw/zinc/72/78/45/404727845.db2.gz LVTMORQBYVSTAQ-CVEARBPZSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104563 404727846 /nfs/dbraw/zinc/72/78/46/404727846.db2.gz LVTMORQBYVSTAQ-CVEARBPZSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419284650 405235330 /nfs/dbraw/zinc/23/53/30/405235330.db2.gz CRHFHMLOEGXJGP-OAHLLOKOSA-N 2 1 305.466 2.182 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426417743 405358958 /nfs/dbraw/zinc/35/89/58/405358958.db2.gz CCCJILJLKIALAG-MSOLQXFVSA-N 2 1 319.493 2.428 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000491714403 406683260 /nfs/dbraw/zinc/68/32/60/406683260.db2.gz GLIVYLTWSNBCNQ-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000491714403 406683266 /nfs/dbraw/zinc/68/32/66/406683266.db2.gz GLIVYLTWSNBCNQ-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491785923 406718527 /nfs/dbraw/zinc/71/85/27/406718527.db2.gz OAHSKCUALQHXDP-INIZCTEOSA-N 2 1 301.434 2.257 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491785923 406718537 /nfs/dbraw/zinc/71/85/37/406718537.db2.gz OAHSKCUALQHXDP-INIZCTEOSA-N 2 1 301.434 2.257 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000263266109 287321086 /nfs/dbraw/zinc/32/10/86/287321086.db2.gz VGDPVHQOONHNIE-CABCVRRESA-N 2 1 304.438 2.463 20 30 DEEDMP COc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCCC2)cc1 ZINC000262472852 225272855 /nfs/dbraw/zinc/27/28/55/225272855.db2.gz BLOUNAIWKLQCSZ-RHSMWYFYSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000650852113 425066515 /nfs/dbraw/zinc/06/65/15/425066515.db2.gz QUULZEKVUDOAGP-UHFFFAOYSA-N 2 1 324.513 2.304 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000664019995 425290031 /nfs/dbraw/zinc/29/00/31/425290031.db2.gz PPGLHNBEFCEXSZ-UHFFFAOYSA-N 2 1 310.486 2.056 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000392816632 337282191 /nfs/dbraw/zinc/28/21/91/337282191.db2.gz QMBXBRWXHDAOBB-AWEZNQCLSA-N 2 1 320.433 2.318 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000392816632 337282192 /nfs/dbraw/zinc/28/21/92/337282192.db2.gz QMBXBRWXHDAOBB-AWEZNQCLSA-N 2 1 320.433 2.318 20 30 DEEDMP COc1cccc([C@@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)c1 ZINC000264152037 533716004 /nfs/dbraw/zinc/71/60/04/533716004.db2.gz ZMIIVZJEEOCJEK-QGZVFWFLSA-N 2 1 318.465 2.392 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000576815920 341864471 /nfs/dbraw/zinc/86/44/71/341864471.db2.gz AWLHQPQBFCYPLK-IBGZPJMESA-N 2 1 318.461 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001378444499 1152331454 /nfs/dbraw/zinc/33/14/54/1152331454.db2.gz NADRFJMXKVTGLE-HUUCEWRRSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001329935712 1149018456 /nfs/dbraw/zinc/01/84/56/1149018456.db2.gz GKZAGPPYTYTMER-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329935712 1149018461 /nfs/dbraw/zinc/01/84/61/1149018461.db2.gz GKZAGPPYTYTMER-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329935712 1149018467 /nfs/dbraw/zinc/01/84/67/1149018467.db2.gz GKZAGPPYTYTMER-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938235 1149020105 /nfs/dbraw/zinc/02/01/05/1149020105.db2.gz PNIYMEDBRZPDHD-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001369548291 1149034566 /nfs/dbraw/zinc/03/45/66/1149034566.db2.gz BSOONIQWYJIYQZ-ZDUSSCGKSA-N 2 1 312.845 2.065 20 30 DEEDMP C[NH+]=C(NCC1(C2CC2)CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261961267 526350842 /nfs/dbraw/zinc/35/08/42/526350842.db2.gz KGJICIYCAKNBTF-CZUORRHYSA-N 2 1 304.482 2.214 20 30 DEEDMP C[NH+]=C(NCc1ccc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262014120 526382675 /nfs/dbraw/zinc/38/26/75/526382675.db2.gz XJFOYQIRWIYKDX-NHYWBVRUSA-N 2 1 306.479 2.204 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267436130 529073829 /nfs/dbraw/zinc/07/38/29/529073829.db2.gz NUWWQIIYHHYSKD-ZIAGYGMSSA-N 2 1 308.495 2.315 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001379602807 1152649850 /nfs/dbraw/zinc/64/98/50/1152649850.db2.gz VVQCEPGXZAFDAM-DZGCQCFKSA-N 2 1 309.841 2.136 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294571 625328976 /nfs/dbraw/zinc/32/89/76/625328976.db2.gz KXLPSJPZLPOLIU-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294571 625328979 /nfs/dbraw/zinc/32/89/79/625328979.db2.gz KXLPSJPZLPOLIU-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696938 625393385 /nfs/dbraw/zinc/39/33/85/625393385.db2.gz YZJDZMUUZUVCHC-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505391 625487274 /nfs/dbraw/zinc/48/72/74/625487274.db2.gz BYHBJJUWNSXKAY-GTPINHCMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316461 623395777 /nfs/dbraw/zinc/39/57/77/623395777.db2.gz DCLIUJFIXVFPJE-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000970802826 623691609 /nfs/dbraw/zinc/69/16/09/623691609.db2.gz DIHICBAKFHOEEJ-HZPDHXFCSA-N 2 1 321.852 2.232 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666390 623922009 /nfs/dbraw/zinc/92/20/09/623922009.db2.gz TVECMKGIJXJAIF-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681672 623951633 /nfs/dbraw/zinc/95/16/33/623951633.db2.gz IOHPJUUFHDBOCH-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001022202417 624497545 /nfs/dbraw/zinc/49/75/45/624497545.db2.gz YYDITESHPIULKT-HLLBOEOZSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342019 625221049 /nfs/dbraw/zinc/22/10/49/625221049.db2.gz CWPQEBWWXNWJHT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007342019 625221053 /nfs/dbraw/zinc/22/10/53/625221053.db2.gz CWPQEBWWXNWJHT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007342019 625221055 /nfs/dbraw/zinc/22/10/55/625221055.db2.gz CWPQEBWWXNWJHT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C2 ZINC000926878159 625772774 /nfs/dbraw/zinc/77/27/74/625772774.db2.gz FDJHCPBGYOQAAD-XSDHEKCYSA-N 2 1 307.482 2.384 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615677 625934839 /nfs/dbraw/zinc/93/48/39/625934839.db2.gz YVUIPMPPDHKLTL-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615677 625934846 /nfs/dbraw/zinc/93/48/46/625934846.db2.gz YVUIPMPPDHKLTL-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615677 625934851 /nfs/dbraw/zinc/93/48/51/625934851.db2.gz YVUIPMPPDHKLTL-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615676 625934971 /nfs/dbraw/zinc/93/49/71/625934971.db2.gz YVUIPMPPDHKLTL-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615676 625934975 /nfs/dbraw/zinc/93/49/75/625934975.db2.gz YVUIPMPPDHKLTL-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615676 625934981 /nfs/dbraw/zinc/93/49/81/625934981.db2.gz YVUIPMPPDHKLTL-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103358 634745969 /nfs/dbraw/zinc/74/59/69/634745969.db2.gz YNDYFRXEFFBZCS-QGZVFWFLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260189 634828610 /nfs/dbraw/zinc/82/86/10/634828610.db2.gz KWGCFTZYHAXPAQ-NVXWUHKLSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692570 632924118 /nfs/dbraw/zinc/92/41/18/632924118.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692570 632924130 /nfs/dbraw/zinc/92/41/30/632924130.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024692570 632924135 /nfs/dbraw/zinc/92/41/35/632924135.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024692570 632924140 /nfs/dbraw/zinc/92/41/40/632924140.db2.gz OYFHFPNRIZETPJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911914 633141974 /nfs/dbraw/zinc/14/19/74/633141974.db2.gz BQFPGYBFHYQPMT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578869 633156902 /nfs/dbraw/zinc/15/69/02/633156902.db2.gz QFMITFHZMGOACM-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578869 633156907 /nfs/dbraw/zinc/15/69/07/633156907.db2.gz QFMITFHZMGOACM-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1(C)C ZINC000996194256 633210348 /nfs/dbraw/zinc/21/03/48/633210348.db2.gz GMTDWAIUUFNROM-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299935 633232345 /nfs/dbraw/zinc/23/23/45/633232345.db2.gz HCGYAGWJSVEPGT-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996526184 633274904 /nfs/dbraw/zinc/27/49/04/633274904.db2.gz ZFJWHSVXTHSFMA-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045055 633397412 /nfs/dbraw/zinc/39/74/12/633397412.db2.gz YIFUUWMJZFCIHC-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045055 633397416 /nfs/dbraw/zinc/39/74/16/633397416.db2.gz YIFUUWMJZFCIHC-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975045055 633397418 /nfs/dbraw/zinc/39/74/18/633397418.db2.gz YIFUUWMJZFCIHC-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996977055 633551060 /nfs/dbraw/zinc/55/10/60/633551060.db2.gz GQWXWAWIGPAYFG-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997062024 633566386 /nfs/dbraw/zinc/56/63/86/633566386.db2.gz LABHEBQMSNUWJP-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997161596 633658558 /nfs/dbraw/zinc/65/85/58/633658558.db2.gz DRKCBXZZESDZKK-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997433857 633755569 /nfs/dbraw/zinc/75/55/69/633755569.db2.gz KBNCQIASZFLUCZ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505109 633915317 /nfs/dbraw/zinc/91/53/17/633915317.db2.gz KEJYHKFTJONBBM-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997786551 633975449 /nfs/dbraw/zinc/97/54/49/633975449.db2.gz LOHZFNHCJYGFQB-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175357 634161201 /nfs/dbraw/zinc/16/12/01/634161201.db2.gz BYQSGQGKIJPTIT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027893116 634891595 /nfs/dbraw/zinc/89/15/95/634891595.db2.gz NEXVDWZFBBRBOP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893116 634891601 /nfs/dbraw/zinc/89/16/01/634891601.db2.gz NEXVDWZFBBRBOP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893116 634891603 /nfs/dbraw/zinc/89/16/03/634891603.db2.gz NEXVDWZFBBRBOP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000695933 635269255 /nfs/dbraw/zinc/26/92/55/635269255.db2.gz LPADAMHSXNIFCX-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000695933 635269262 /nfs/dbraw/zinc/26/92/62/635269262.db2.gz LPADAMHSXNIFCX-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000695933 635269268 /nfs/dbraw/zinc/26/92/68/635269268.db2.gz LPADAMHSXNIFCX-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332258 635438933 /nfs/dbraw/zinc/43/89/33/635438933.db2.gz UTNSGNHNTKGLRV-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332258 635438935 /nfs/dbraw/zinc/43/89/35/635438935.db2.gz UTNSGNHNTKGLRV-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332258 635438937 /nfs/dbraw/zinc/43/89/37/635438937.db2.gz UTNSGNHNTKGLRV-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332258 635438942 /nfs/dbraw/zinc/43/89/42/635438942.db2.gz UTNSGNHNTKGLRV-KRWDZBQOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816308 635667719 /nfs/dbraw/zinc/66/77/19/635667719.db2.gz WHXISEVJVKDDPA-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002813021 635805025 /nfs/dbraw/zinc/80/50/25/635805025.db2.gz VWUWNYMBZGBOQZ-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116072 635874829 /nfs/dbraw/zinc/87/48/29/635874829.db2.gz FHRGCOPTJDLWSJ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001028239706 635945877 /nfs/dbraw/zinc/94/58/77/635945877.db2.gz VCRPUEUQPVVZKY-GOSISDBHSA-N 2 1 322.412 2.090 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300427 635957001 /nfs/dbraw/zinc/95/70/01/635957001.db2.gz ZIVMQQPSWMRKRC-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300427 635957004 /nfs/dbraw/zinc/95/70/04/635957004.db2.gz ZIVMQQPSWMRKRC-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300427 635957007 /nfs/dbraw/zinc/95/70/07/635957007.db2.gz ZIVMQQPSWMRKRC-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028251700 635960399 /nfs/dbraw/zinc/96/03/99/635960399.db2.gz JWIPVOAXDCOXAT-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004210743 636228991 /nfs/dbraw/zinc/22/89/91/636228991.db2.gz ZZGDOVLVBNFNQO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579549 636371762 /nfs/dbraw/zinc/37/17/62/636371762.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579549 636371767 /nfs/dbraw/zinc/37/17/67/636371767.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579549 636371769 /nfs/dbraw/zinc/37/17/69/636371769.db2.gz GVXBKDKFHHTEJT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004472312 636464334 /nfs/dbraw/zinc/46/43/34/636464334.db2.gz GGMQXBLNJLEUIO-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631639 636494564 /nfs/dbraw/zinc/49/45/64/636494564.db2.gz RJWTXYKJUDTDKF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631639 636494565 /nfs/dbraw/zinc/49/45/65/636494565.db2.gz RJWTXYKJUDTDKF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631639 636494569 /nfs/dbraw/zinc/49/45/69/636494569.db2.gz RJWTXYKJUDTDKF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642715 636517360 /nfs/dbraw/zinc/51/73/60/636517360.db2.gz QHVPYDHHTGMQQB-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005883146 636929414 /nfs/dbraw/zinc/92/94/14/636929414.db2.gz FLVWBRFCWVSMJW-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011648 636951546 /nfs/dbraw/zinc/95/15/46/636951546.db2.gz BQAMWBXVTASTNI-HNNXBMFYSA-N 2 1 319.449 2.359 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856845 636955564 /nfs/dbraw/zinc/95/55/64/636955564.db2.gz QXIGXIDBYJAFFT-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856845 636955566 /nfs/dbraw/zinc/95/55/66/636955566.db2.gz QXIGXIDBYJAFFT-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856845 636955571 /nfs/dbraw/zinc/95/55/71/636955571.db2.gz QXIGXIDBYJAFFT-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005993129 637049929 /nfs/dbraw/zinc/04/99/29/637049929.db2.gz ZECCPPUDZIJAGL-ZDUSSCGKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001005993129 637049932 /nfs/dbraw/zinc/04/99/32/637049932.db2.gz ZECCPPUDZIJAGL-ZDUSSCGKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005993127 637050031 /nfs/dbraw/zinc/05/00/31/637050031.db2.gz ZECCPPUDZIJAGL-CYBMUJFWSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001005993127 637050047 /nfs/dbraw/zinc/05/00/47/637050047.db2.gz ZECCPPUDZIJAGL-CYBMUJFWSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117231 637214832 /nfs/dbraw/zinc/21/48/32/637214832.db2.gz UYIISXHYUZHAHM-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985734847 639608084 /nfs/dbraw/zinc/60/80/84/639608084.db2.gz MGXQUPSETMBYFR-UHFFFAOYSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800530 639642570 /nfs/dbraw/zinc/64/25/70/639642570.db2.gz GMLDQCSZUJGHAS-GOSISDBHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800530 639642572 /nfs/dbraw/zinc/64/25/72/639642572.db2.gz GMLDQCSZUJGHAS-GOSISDBHSA-N 2 1 315.461 2.398 20 30 DEEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)=[NH+]1 ZINC000841633318 650527252 /nfs/dbraw/zinc/52/72/52/650527252.db2.gz KOGQLUMFCQIXCX-DYVFJYSZSA-N 2 1 311.433 2.279 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000900655409 642435347 /nfs/dbraw/zinc/43/53/47/642435347.db2.gz IZNHYXCSXHDDDT-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000901233435 642601647 /nfs/dbraw/zinc/60/16/47/642601647.db2.gz LYKUPKIBLFSJAT-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000783292317 642993325 /nfs/dbraw/zinc/99/33/25/642993325.db2.gz AEIAYLXPEPLDDS-HNAYVOBHSA-N 2 1 321.428 2.348 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000783292317 642993328 /nfs/dbraw/zinc/99/33/28/642993328.db2.gz AEIAYLXPEPLDDS-HNAYVOBHSA-N 2 1 321.428 2.348 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906598010 644299773 /nfs/dbraw/zinc/29/97/73/644299773.db2.gz SNOVCERDSOJTMK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CCC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000799489683 645179639 /nfs/dbraw/zinc/17/96/39/645179639.db2.gz ZMRIBNWQZWECRO-UHFFFAOYSA-N 2 1 318.465 2.179 20 30 DEEDMP C=CCN1CCN(C[NH+]2CCC(C[N@H+](C)CCCC)CC2)C1=O ZINC000839996976 645632368 /nfs/dbraw/zinc/63/23/68/645632368.db2.gz BVPONMUIEVXWSX-UHFFFAOYSA-N 2 1 322.497 2.311 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775714 646627142 /nfs/dbraw/zinc/62/71/42/646627142.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775714 646627145 /nfs/dbraw/zinc/62/71/45/646627145.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775714 646627147 /nfs/dbraw/zinc/62/71/47/646627147.db2.gz PCUPNPNQGDTURM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991866047 646676022 /nfs/dbraw/zinc/67/60/22/646676022.db2.gz ZFXPDDWQTOUYDE-MJGOQNOKSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120365 646861867 /nfs/dbraw/zinc/86/18/67/646861867.db2.gz BMMJVDYTQGTTRM-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120365 646861870 /nfs/dbraw/zinc/86/18/70/646861870.db2.gz BMMJVDYTQGTTRM-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992120365 646861875 /nfs/dbraw/zinc/86/18/75/646861875.db2.gz BMMJVDYTQGTTRM-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992288787 646930706 /nfs/dbraw/zinc/93/07/06/646930706.db2.gz SNECTZFVZKUSHO-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC=CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261998973 647161105 /nfs/dbraw/zinc/16/11/05/647161105.db2.gz TWJFNMUCYPMOLP-ZMSDIMECSA-N 2 1 304.482 2.381 20 30 DEEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819151979 647595099 /nfs/dbraw/zinc/59/50/99/647595099.db2.gz JPJQVJCYZAKDQC-FUHWJXTLSA-N 2 1 301.434 2.159 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940745765 648933229 /nfs/dbraw/zinc/93/32/29/648933229.db2.gz USQDFRSBGAQXKE-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801219 648944965 /nfs/dbraw/zinc/94/49/65/648944965.db2.gz PWSORNXQCJGVPR-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801219 648944968 /nfs/dbraw/zinc/94/49/68/648944968.db2.gz PWSORNXQCJGVPR-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896817 648964626 /nfs/dbraw/zinc/96/46/26/648964626.db2.gz YPPISLDTGWEUDT-QGZVFWFLSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173939 649174666 /nfs/dbraw/zinc/17/46/66/649174666.db2.gz SNSJYXRTVHIOCO-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257921 649192073 /nfs/dbraw/zinc/19/20/73/649192073.db2.gz MUWZSIDMMHHLBG-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558226 649244685 /nfs/dbraw/zinc/24/46/85/649244685.db2.gz TZXUZRRAMKOIJJ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047662 649475264 /nfs/dbraw/zinc/47/52/64/649475264.db2.gz UYPURBAWDIFDQS-MAUKXSAKSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000848981076 651569471 /nfs/dbraw/zinc/56/94/71/651569471.db2.gz HKHHBAQOJOTXJY-MRXNPFEDSA-N 2 1 302.422 2.132 20 30 DEEDMP C[NH+]=C(NCCCC[N@H+]1CCC[C@H](C)C1)NCc1ccco1 ZINC000848989939 651573198 /nfs/dbraw/zinc/57/31/98/651573198.db2.gz MRZKLWRDGBPPIF-HNNXBMFYSA-N 2 1 306.454 2.457 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781496 685260600 /nfs/dbraw/zinc/26/06/00/685260600.db2.gz GITKTWUBPKABPB-NVXWUHKLSA-N 2 1 302.466 2.487 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304781499 685260943 /nfs/dbraw/zinc/26/09/43/685260943.db2.gz GITKTWUBPKABPB-WBVHZDCISA-N 2 1 302.466 2.487 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764027 685261060 /nfs/dbraw/zinc/26/10/60/685261060.db2.gz XLARDARTSLFJBY-HZPDHXFCSA-N 2 1 318.465 2.151 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000156278991 684287659 /nfs/dbraw/zinc/28/76/59/684287659.db2.gz WMZUVNAAPJNIOX-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158317868 684297090 /nfs/dbraw/zinc/29/70/90/684297090.db2.gz TTZIPIJUSVJQFE-SFHVURJKSA-N 2 1 314.477 2.180 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159800 693867149 /nfs/dbraw/zinc/86/71/49/693867149.db2.gz ODZQCULONLLLPA-GOSISDBHSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000261984625 685200154 /nfs/dbraw/zinc/20/01/54/685200154.db2.gz JIAFMSUFXPXOQA-UHFFFAOYSA-N 2 1 300.450 2.304 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1Cl ZINC000303792886 685235368 /nfs/dbraw/zinc/23/53/68/685235368.db2.gz YUPRZVNYXPAQSM-CQSZACIVSA-N 2 1 308.857 2.271 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@@H]1C ZINC000303907778 685239865 /nfs/dbraw/zinc/23/98/65/685239865.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000303907778 685239869 /nfs/dbraw/zinc/23/98/69/685239869.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@@H]1C ZINC000303907778 685239873 /nfs/dbraw/zinc/23/98/73/685239873.db2.gz XAZBVXHMJLYFRF-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865437521 687210664 /nfs/dbraw/zinc/21/06/64/687210664.db2.gz OZAJPTYWYRYFKY-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865437521 687210668 /nfs/dbraw/zinc/21/06/68/687210668.db2.gz OZAJPTYWYRYFKY-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015972260 687486539 /nfs/dbraw/zinc/48/65/39/687486539.db2.gz IMNONKAADOKZCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015972260 687486542 /nfs/dbraw/zinc/48/65/42/687486542.db2.gz IMNONKAADOKZCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015972260 687486544 /nfs/dbraw/zinc/48/65/44/687486544.db2.gz IMNONKAADOKZCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016689427 687683240 /nfs/dbraw/zinc/68/32/40/687683240.db2.gz ZXHYRHRNGJUCPE-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828055 687712218 /nfs/dbraw/zinc/71/22/18/687712218.db2.gz CEQUQWMCRYYUDY-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860961 687721082 /nfs/dbraw/zinc/72/10/82/687721082.db2.gz LHKDQHMREYLXFX-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016972998 687746601 /nfs/dbraw/zinc/74/66/01/687746601.db2.gz ADCLGICOTYCWFR-MRXNPFEDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001017600374 687921203 /nfs/dbraw/zinc/92/12/03/687921203.db2.gz IMXCAPBZWDFAAQ-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017600374 687921210 /nfs/dbraw/zinc/92/12/10/687921210.db2.gz IMXCAPBZWDFAAQ-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017600374 687921215 /nfs/dbraw/zinc/92/12/15/687921215.db2.gz IMXCAPBZWDFAAQ-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C[C@H](CC)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000930526896 694182459 /nfs/dbraw/zinc/18/24/59/694182459.db2.gz SYMXWQXOXLMYBN-CQSZACIVSA-N 2 1 302.422 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001026496829 688529189 /nfs/dbraw/zinc/52/91/89/688529189.db2.gz XAHGDSSNTUUEHP-XSCHDIRWSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541660 688541417 /nfs/dbraw/zinc/54/14/17/688541417.db2.gz CWLHTHYFXVUKMF-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541660 688541419 /nfs/dbraw/zinc/54/14/19/688541419.db2.gz CWLHTHYFXVUKMF-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541660 688541422 /nfs/dbraw/zinc/54/14/22/688541422.db2.gz CWLHTHYFXVUKMF-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803890 689265473 /nfs/dbraw/zinc/26/54/73/689265473.db2.gz PMSMTYKOKFFXBA-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033161145 689409537 /nfs/dbraw/zinc/40/95/37/689409537.db2.gz JUVXJCHOXLFDKQ-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033161145 689409539 /nfs/dbraw/zinc/40/95/39/689409539.db2.gz JUVXJCHOXLFDKQ-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033161145 689409543 /nfs/dbraw/zinc/40/95/43/689409543.db2.gz JUVXJCHOXLFDKQ-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033161145 689409544 /nfs/dbraw/zinc/40/95/44/689409544.db2.gz JUVXJCHOXLFDKQ-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285336 689794556 /nfs/dbraw/zinc/79/45/56/689794556.db2.gz BTAJXABKCKQPJD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285336 689794559 /nfs/dbraw/zinc/79/45/59/689794559.db2.gz BTAJXABKCKQPJD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285336 689794561 /nfs/dbraw/zinc/79/45/61/689794561.db2.gz BTAJXABKCKQPJD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367186 689825195 /nfs/dbraw/zinc/82/51/95/689825195.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034367186 689825198 /nfs/dbraw/zinc/82/51/98/689825198.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034367186 689825199 /nfs/dbraw/zinc/82/51/99/689825199.db2.gz FJBBVANKOFMBOI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754281 689941015 /nfs/dbraw/zinc/94/10/15/689941015.db2.gz YKZFFYRJLLRFEP-VQHPVUNQSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035227050 690066391 /nfs/dbraw/zinc/06/63/91/690066391.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227050 690066394 /nfs/dbraw/zinc/06/63/94/690066394.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227050 690066397 /nfs/dbraw/zinc/06/63/97/690066397.db2.gz NGNLWOFEJVHZED-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227639 690067097 /nfs/dbraw/zinc/06/70/97/690067097.db2.gz TYMNALCQARWMDK-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227639 690067101 /nfs/dbraw/zinc/06/71/01/690067101.db2.gz TYMNALCQARWMDK-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227639 690067106 /nfs/dbraw/zinc/06/71/06/690067106.db2.gz TYMNALCQARWMDK-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708613 690157416 /nfs/dbraw/zinc/15/74/16/690157416.db2.gz XUWRXPCVPGEPJL-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795678 690178265 /nfs/dbraw/zinc/17/82/65/690178265.db2.gz XOKGKEYTBDJVOX-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035798241 690179071 /nfs/dbraw/zinc/17/90/71/690179071.db2.gz LKHPFPQOFCIKTM-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755300 690460338 /nfs/dbraw/zinc/46/03/38/690460338.db2.gz UEJPCLLRLOGEIJ-MAUKXSAKSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174425 691040163 /nfs/dbraw/zinc/04/01/63/691040163.db2.gz VKVZXVHJTXXJQU-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174425 691040164 /nfs/dbraw/zinc/04/01/64/691040164.db2.gz VKVZXVHJTXXJQU-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174425 691040166 /nfs/dbraw/zinc/04/01/66/691040166.db2.gz VKVZXVHJTXXJQU-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386370 691094891 /nfs/dbraw/zinc/09/48/91/691094891.db2.gz LZCLYVJRUMQBOB-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039394353 691097040 /nfs/dbraw/zinc/09/70/40/691097040.db2.gz WDDKUPKPEMAIFN-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406536 691100112 /nfs/dbraw/zinc/10/01/12/691100112.db2.gz XOFPPJAGJFCVBV-WBVHZDCISA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373798 691368175 /nfs/dbraw/zinc/36/81/75/691368175.db2.gz XSKJRRVEJWJPHN-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373798 691368178 /nfs/dbraw/zinc/36/81/78/691368178.db2.gz XSKJRRVEJWJPHN-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041373798 691368182 /nfs/dbraw/zinc/36/81/82/691368182.db2.gz XSKJRRVEJWJPHN-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433588 691375178 /nfs/dbraw/zinc/37/51/78/691375178.db2.gz ZVVOXVOJKWZUPW-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433588 691375180 /nfs/dbraw/zinc/37/51/80/691375180.db2.gz ZVVOXVOJKWZUPW-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433588 691375184 /nfs/dbraw/zinc/37/51/84/691375184.db2.gz ZVVOXVOJKWZUPW-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475311 691381514 /nfs/dbraw/zinc/38/15/14/691381514.db2.gz KUHHSLJXASIKPC-SFHVURJKSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598759 691398990 /nfs/dbraw/zinc/39/89/90/691398990.db2.gz CCPKVAGPIOYPMT-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598759 691398992 /nfs/dbraw/zinc/39/89/92/691398992.db2.gz CCPKVAGPIOYPMT-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598759 691398994 /nfs/dbraw/zinc/39/89/94/691398994.db2.gz CCPKVAGPIOYPMT-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644104 691404885 /nfs/dbraw/zinc/40/48/85/691404885.db2.gz AZMTZZNESNNCAS-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000883131330 691437053 /nfs/dbraw/zinc/43/70/53/691437053.db2.gz WHERXPMWQXVEHN-UHFFFAOYSA-N 2 1 310.445 2.440 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000883131330 691437054 /nfs/dbraw/zinc/43/70/54/691437054.db2.gz WHERXPMWQXVEHN-UHFFFAOYSA-N 2 1 310.445 2.440 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256774 691550410 /nfs/dbraw/zinc/55/04/10/691550410.db2.gz ZMMNDJOWDOVDDP-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921229 692052314 /nfs/dbraw/zinc/05/23/14/692052314.db2.gz IEXQIARUIYAKFY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921229 692052318 /nfs/dbraw/zinc/05/23/18/692052318.db2.gz IEXQIARUIYAKFY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921229 692052322 /nfs/dbraw/zinc/05/23/22/692052322.db2.gz IEXQIARUIYAKFY-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943343 692059412 /nfs/dbraw/zinc/05/94/12/692059412.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943343 692059414 /nfs/dbraw/zinc/05/94/14/692059414.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943343 692059415 /nfs/dbraw/zinc/05/94/15/692059415.db2.gz IICYRHAQIWMJRI-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626879 692242646 /nfs/dbraw/zinc/24/26/46/692242646.db2.gz WBLLSBCETFHWHN-LJQANCHMSA-N 2 1 315.461 2.171 20 30 DEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738879 692279056 /nfs/dbraw/zinc/27/90/56/692279056.db2.gz DHZHKWYRYZYGJS-IBGZPJMESA-N 2 1 322.412 2.090 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480511 692895880 /nfs/dbraw/zinc/89/58/80/692895880.db2.gz FOZLJWSDBTXADM-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480511 692895881 /nfs/dbraw/zinc/89/58/81/692895881.db2.gz FOZLJWSDBTXADM-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480511 692895883 /nfs/dbraw/zinc/89/58/83/692895883.db2.gz FOZLJWSDBTXADM-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568765 692924342 /nfs/dbraw/zinc/92/43/42/692924342.db2.gz WERSTRCQAFESDE-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568765 692924343 /nfs/dbraw/zinc/92/43/43/692924343.db2.gz WERSTRCQAFESDE-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568765 692924346 /nfs/dbraw/zinc/92/43/46/692924346.db2.gz WERSTRCQAFESDE-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719840 692975192 /nfs/dbraw/zinc/97/51/92/692975192.db2.gz UIOMYZFTRCGXMT-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719840 692975196 /nfs/dbraw/zinc/97/51/96/692975196.db2.gz UIOMYZFTRCGXMT-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719840 692975199 /nfs/dbraw/zinc/97/51/99/692975199.db2.gz UIOMYZFTRCGXMT-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051489 693093532 /nfs/dbraw/zinc/09/35/32/693093532.db2.gz ZAVZWPPNIHLPMM-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051489 693093534 /nfs/dbraw/zinc/09/35/34/693093534.db2.gz ZAVZWPPNIHLPMM-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051489 693093536 /nfs/dbraw/zinc/09/35/36/693093536.db2.gz ZAVZWPPNIHLPMM-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068799 693099809 /nfs/dbraw/zinc/09/98/09/693099809.db2.gz JGHAXCFTCVZCDO-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068799 693099812 /nfs/dbraw/zinc/09/98/12/693099812.db2.gz JGHAXCFTCVZCDO-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068799 693099814 /nfs/dbraw/zinc/09/98/14/693099814.db2.gz JGHAXCFTCVZCDO-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050564627 693207840 /nfs/dbraw/zinc/20/78/40/693207840.db2.gz SOIIVUALTAYDMK-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(N[C@@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702140 693326874 /nfs/dbraw/zinc/32/68/74/693326874.db2.gz LZLITPOYJWDAFP-RBUKOAKNSA-N 2 1 324.472 2.382 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001052458192 693540140 /nfs/dbraw/zinc/54/01/40/693540140.db2.gz ZTYKEYGSANLTSJ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001052458192 693540143 /nfs/dbraw/zinc/54/01/43/693540143.db2.gz ZTYKEYGSANLTSJ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC001052458192 693540146 /nfs/dbraw/zinc/54/01/46/693540146.db2.gz ZTYKEYGSANLTSJ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C(C)C)CC1 ZINC001052458192 693540148 /nfs/dbraw/zinc/54/01/48/693540148.db2.gz ZTYKEYGSANLTSJ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712003 693601071 /nfs/dbraw/zinc/60/10/71/693601071.db2.gz CMGDDFGBVSDTFZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052712003 693601069 /nfs/dbraw/zinc/60/10/69/693601069.db2.gz CMGDDFGBVSDTFZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052712003 693601072 /nfs/dbraw/zinc/60/10/72/693601072.db2.gz CMGDDFGBVSDTFZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837179 693629270 /nfs/dbraw/zinc/62/92/70/693629270.db2.gz NNFBMXPEAVKJRP-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838023 693629788 /nfs/dbraw/zinc/62/97/88/693629788.db2.gz ZCZVGHKHGYDOPG-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052935058 693651810 /nfs/dbraw/zinc/65/18/10/693651810.db2.gz PHRALBFRFFFLLY-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052935058 693651811 /nfs/dbraw/zinc/65/18/11/693651811.db2.gz PHRALBFRFFFLLY-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001402896762 1162521946 /nfs/dbraw/zinc/52/19/46/1162521946.db2.gz XWRWEAXXLZMHFO-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001403042575 1162653204 /nfs/dbraw/zinc/65/32/04/1162653204.db2.gz NEPOYEIWHAZFKU-UHFFFAOYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001403274212 1162833703 /nfs/dbraw/zinc/83/37/03/1162833703.db2.gz PWNVQYSLGZKTGO-UHFFFAOYSA-N 2 1 324.856 2.353 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001376615383 1159603467 /nfs/dbraw/zinc/60/34/67/1159603467.db2.gz KPSPAXMGCQSBNS-SHTZXODSSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001403987520 1163355140 /nfs/dbraw/zinc/35/51/40/1163355140.db2.gz QTJBIIAZUWLFQC-HIFRSBDPSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001407206538 1165044136 /nfs/dbraw/zinc/04/41/36/1165044136.db2.gz KPTHPERVDQYFTI-INIZCTEOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001407206538 1165044138 /nfs/dbraw/zinc/04/41/38/1165044138.db2.gz KPTHPERVDQYFTI-INIZCTEOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001407926957 1165396661 /nfs/dbraw/zinc/39/66/61/1165396661.db2.gz XSLAQLRGRZHWPC-UHFFFAOYSA-N 2 1 317.905 2.497 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001407926957 1165396660 /nfs/dbraw/zinc/39/66/60/1165396660.db2.gz XSLAQLRGRZHWPC-UHFFFAOYSA-N 2 1 317.905 2.497 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001407926957 1165396658 /nfs/dbraw/zinc/39/66/58/1165396658.db2.gz XSLAQLRGRZHWPC-UHFFFAOYSA-N 2 1 317.905 2.497 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001407926957 1165396659 /nfs/dbraw/zinc/39/66/59/1165396659.db2.gz XSLAQLRGRZHWPC-UHFFFAOYSA-N 2 1 317.905 2.497 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001422121100 1172319817 /nfs/dbraw/zinc/31/98/17/1172319817.db2.gz MGKLWNCXGLTRPR-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001422121100 1172319824 /nfs/dbraw/zinc/31/98/24/1172319824.db2.gz MGKLWNCXGLTRPR-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001437921901 1180081195 /nfs/dbraw/zinc/08/11/95/1180081195.db2.gz HWOGYXPEDGGYIV-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001440732696 1181662799 /nfs/dbraw/zinc/66/27/99/1181662799.db2.gz GVTFNPIITVCBBG-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001440732696 1181662802 /nfs/dbraw/zinc/66/28/02/1181662802.db2.gz GVTFNPIITVCBBG-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001441096006 1181846417 /nfs/dbraw/zinc/84/64/17/1181846417.db2.gz ZLPFRXRPRXVELB-CABCVRRESA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001441350577 1181952963 /nfs/dbraw/zinc/95/29/63/1181952963.db2.gz HNBLIOSEFHJZBE-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001449006303 1185482307 /nfs/dbraw/zinc/48/23/07/1185482307.db2.gz COOBYSAVZKJVRP-GOEBONIOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001449006303 1185482310 /nfs/dbraw/zinc/48/23/10/1185482310.db2.gz COOBYSAVZKJVRP-GOEBONIOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449006303 1185482315 /nfs/dbraw/zinc/48/23/15/1185482315.db2.gz COOBYSAVZKJVRP-GOEBONIOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449006303 1185482319 /nfs/dbraw/zinc/48/23/19/1185482319.db2.gz COOBYSAVZKJVRP-GOEBONIOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001332100676 1149819815 /nfs/dbraw/zinc/81/98/15/1149819815.db2.gz PDOLKQQLXCYCMJ-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001332100676 1149819818 /nfs/dbraw/zinc/81/98/18/1149819818.db2.gz PDOLKQQLXCYCMJ-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001332100676 1149819819 /nfs/dbraw/zinc/81/98/19/1149819819.db2.gz PDOLKQQLXCYCMJ-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001332100676 1149819820 /nfs/dbraw/zinc/81/98/20/1149819820.db2.gz PDOLKQQLXCYCMJ-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336816 782785451 /nfs/dbraw/zinc/78/54/51/782785451.db2.gz YIXSYQSPQNQEFN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336816 782785458 /nfs/dbraw/zinc/78/54/58/782785458.db2.gz YIXSYQSPQNQEFN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336816 782785465 /nfs/dbraw/zinc/78/54/65/782785465.db2.gz YIXSYQSPQNQEFN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073024894 790399510 /nfs/dbraw/zinc/39/95/10/790399510.db2.gz AECLJJMICHTMPF-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073024894 790399521 /nfs/dbraw/zinc/39/95/21/790399521.db2.gz AECLJJMICHTMPF-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035184 790406560 /nfs/dbraw/zinc/40/65/60/790406560.db2.gz AOXZVFPJTGTXBH-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073035817 790409355 /nfs/dbraw/zinc/40/93/55/790409355.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035817 790409356 /nfs/dbraw/zinc/40/93/56/790409356.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035817 790409357 /nfs/dbraw/zinc/40/93/57/790409357.db2.gz VFAAEOPXSYMSBU-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237087 776789824 /nfs/dbraw/zinc/78/98/24/776789824.db2.gz UIDFSBNITADCOO-CVEARBPZSA-N 2 1 307.482 2.026 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385934 776979975 /nfs/dbraw/zinc/97/99/75/776979975.db2.gz ZILUBBOYODMLRV-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376373 777174950 /nfs/dbraw/zinc/17/49/50/777174950.db2.gz BQDZIMBCQJYJKZ-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529855 778608339 /nfs/dbraw/zinc/60/83/39/778608339.db2.gz RRMAILMFYZWJMJ-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749294 779434666 /nfs/dbraw/zinc/43/46/66/779434666.db2.gz DBFGVNUYDBVWIB-KSZLIROESA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749294 779434671 /nfs/dbraw/zinc/43/46/71/779434671.db2.gz DBFGVNUYDBVWIB-KSZLIROESA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749294 779434676 /nfs/dbraw/zinc/43/46/76/779434676.db2.gz DBFGVNUYDBVWIB-KSZLIROESA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170481 779746975 /nfs/dbraw/zinc/74/69/75/779746975.db2.gz STPHSVISEYTJCU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170481 779746984 /nfs/dbraw/zinc/74/69/84/779746984.db2.gz STPHSVISEYTJCU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170481 779746990 /nfs/dbraw/zinc/74/69/90/779746990.db2.gz STPHSVISEYTJCU-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311837 779935899 /nfs/dbraw/zinc/93/58/99/779935899.db2.gz IEAMJRKVRIJRHJ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876415 780048357 /nfs/dbraw/zinc/04/83/57/780048357.db2.gz PUIDIRLNOLFLEY-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876415 780048361 /nfs/dbraw/zinc/04/83/61/780048361.db2.gz PUIDIRLNOLFLEY-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876415 780048369 /nfs/dbraw/zinc/04/83/69/780048369.db2.gz PUIDIRLNOLFLEY-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@@H](C)C2)CC1 ZINC000948069523 783310888 /nfs/dbraw/zinc/31/08/88/783310888.db2.gz IGUWHHNCPUSZIU-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905482 783334968 /nfs/dbraw/zinc/33/49/68/783334968.db2.gz SBNMCZPKOXTNLF-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598237 783872732 /nfs/dbraw/zinc/87/27/32/783872732.db2.gz PLCRFYBBHRLKKE-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598237 783872744 /nfs/dbraw/zinc/87/27/44/783872744.db2.gz PLCRFYBBHRLKKE-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598237 783872749 /nfs/dbraw/zinc/87/27/49/783872749.db2.gz PLCRFYBBHRLKKE-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598237 783872758 /nfs/dbraw/zinc/87/27/58/783872758.db2.gz PLCRFYBBHRLKKE-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090404 783881023 /nfs/dbraw/zinc/88/10/23/783881023.db2.gz TYSJRWMITIOIJU-KDOFPFPSSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707117 784097630 /nfs/dbraw/zinc/09/76/30/784097630.db2.gz CPCWOWFIFQNWOO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417834 784374437 /nfs/dbraw/zinc/37/44/37/784374437.db2.gz GVBMONNIXMCNIL-YJBOKZPZSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086216815 784497247 /nfs/dbraw/zinc/49/72/47/784497247.db2.gz AMAPFDCZYVCXHP-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855781 784620517 /nfs/dbraw/zinc/62/05/17/784620517.db2.gz AHHZILIVDMBILG-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855781 784620523 /nfs/dbraw/zinc/62/05/23/784620523.db2.gz AHHZILIVDMBILG-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001007956916 785059139 /nfs/dbraw/zinc/05/91/39/785059139.db2.gz ZNVAVWSNAKOUAV-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064459 785095119 /nfs/dbraw/zinc/09/51/19/785095119.db2.gz VQTIFEHAUCKIBP-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237540 791088679 /nfs/dbraw/zinc/08/86/79/791088679.db2.gz QSQLXEVGUZNRKF-IRXDYDNUSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704330 785495375 /nfs/dbraw/zinc/49/53/75/785495375.db2.gz IJDAPJZWGQTJQS-ZOBUZTSGSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417473 785862280 /nfs/dbraw/zinc/86/22/80/785862280.db2.gz CYFNPQSRXFRNRI-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417473 785862290 /nfs/dbraw/zinc/86/22/90/785862290.db2.gz CYFNPQSRXFRNRI-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417473 785862300 /nfs/dbraw/zinc/86/23/00/785862300.db2.gz CYFNPQSRXFRNRI-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001112864840 786261081 /nfs/dbraw/zinc/26/10/81/786261081.db2.gz GAHUGIUOJFZVCD-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001113348582 786540318 /nfs/dbraw/zinc/54/03/18/786540318.db2.gz SPPLHCXLPLLXHK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419435 786583261 /nfs/dbraw/zinc/58/32/61/786583261.db2.gz RFIWFJIQFXZKAF-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438475 786586451 /nfs/dbraw/zinc/58/64/51/786586451.db2.gz TWJWRULODADVGA-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014438475 786586455 /nfs/dbraw/zinc/58/64/55/786586455.db2.gz TWJWRULODADVGA-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014438475 786586460 /nfs/dbraw/zinc/58/64/60/786586460.db2.gz TWJWRULODADVGA-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204175 787974128 /nfs/dbraw/zinc/97/41/28/787974128.db2.gz UEJYEHULIHCQOA-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204175 787974131 /nfs/dbraw/zinc/97/41/31/787974131.db2.gz UEJYEHULIHCQOA-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219129 788024788 /nfs/dbraw/zinc/02/47/88/788024788.db2.gz UOWLYXSFCFKZEV-ZJPYXAASSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219129 788024797 /nfs/dbraw/zinc/02/47/97/788024797.db2.gz UOWLYXSFCFKZEV-ZJPYXAASSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219129 788024806 /nfs/dbraw/zinc/02/48/06/788024806.db2.gz UOWLYXSFCFKZEV-ZJPYXAASSA-N 2 1 317.477 2.301 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790563 788194775 /nfs/dbraw/zinc/19/47/75/788194775.db2.gz IGSXPIVTPOWGHV-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121963 788287937 /nfs/dbraw/zinc/28/79/37/788287937.db2.gz MUTDIHIDDNYOBF-SJORKVTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133275140 788346194 /nfs/dbraw/zinc/34/61/94/788346194.db2.gz PYDFZMGELREGFD-DZGCQCFKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314584 788365484 /nfs/dbraw/zinc/36/54/84/788365484.db2.gz OSWFTKYJNHBZAW-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158852461 788396460 /nfs/dbraw/zinc/39/64/60/788396460.db2.gz FWVRUSUGNJNYSL-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507827 789747987 /nfs/dbraw/zinc/74/79/87/789747987.db2.gz CGGLHWBHYRTJKC-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752664 790237554 /nfs/dbraw/zinc/23/75/54/790237554.db2.gz WAHZFRCVELBJIE-OAHLLOKOSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752664 790237559 /nfs/dbraw/zinc/23/75/59/790237559.db2.gz WAHZFRCVELBJIE-OAHLLOKOSA-N 2 1 316.449 2.117 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811807 790256719 /nfs/dbraw/zinc/25/67/19/790256719.db2.gz HMSWNAPVLGFVHX-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811807 790256724 /nfs/dbraw/zinc/25/67/24/790256724.db2.gz HMSWNAPVLGFVHX-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811807 790256731 /nfs/dbraw/zinc/25/67/31/790256731.db2.gz HMSWNAPVLGFVHX-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653129 791259974 /nfs/dbraw/zinc/25/99/74/791259974.db2.gz ZSGCTRUYEFJILP-JZXOWHBKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001074659060 791260299 /nfs/dbraw/zinc/26/02/99/791260299.db2.gz WNJQMQGRQXYODW-KKUMJFAQSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907876 791846219 /nfs/dbraw/zinc/84/62/19/791846219.db2.gz GERCJXKYCZXAJH-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098873289 791971824 /nfs/dbraw/zinc/97/18/24/791971824.db2.gz LSRJVBCWHBNUMK-LNLFQRSKSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873289 791971831 /nfs/dbraw/zinc/97/18/31/791971831.db2.gz LSRJVBCWHBNUMK-LNLFQRSKSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873289 791971834 /nfs/dbraw/zinc/97/18/34/791971834.db2.gz LSRJVBCWHBNUMK-LNLFQRSKSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923315 791985613 /nfs/dbraw/zinc/98/56/13/791985613.db2.gz IDKDZRHPDXCGMP-LPHOPBHVSA-N 2 1 324.428 2.495 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098982235 792014563 /nfs/dbraw/zinc/01/45/63/792014563.db2.gz STTFZAXORJMKGU-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098982235 792014568 /nfs/dbraw/zinc/01/45/68/792014568.db2.gz STTFZAXORJMKGU-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098982235 792014577 /nfs/dbraw/zinc/01/45/77/792014577.db2.gz STTFZAXORJMKGU-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098982235 792014588 /nfs/dbraw/zinc/01/45/88/792014588.db2.gz STTFZAXORJMKGU-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729751 792816618 /nfs/dbraw/zinc/81/66/18/792816618.db2.gz MTNMQXSZLTXHSO-UHFFFAOYSA-N 2 1 318.465 2.457 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539371 793113509 /nfs/dbraw/zinc/11/35/09/793113509.db2.gz TZRUBCGLUANCKT-CABCVRRESA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418365 793150037 /nfs/dbraw/zinc/15/00/37/793150037.db2.gz OLKJGSDIWJEMAI-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418365 793150041 /nfs/dbraw/zinc/15/00/41/793150041.db2.gz OLKJGSDIWJEMAI-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418365 793150048 /nfs/dbraw/zinc/15/00/48/793150048.db2.gz OLKJGSDIWJEMAI-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171647446 793157901 /nfs/dbraw/zinc/15/79/01/793157901.db2.gz VXIRHSWTLFCIQL-MSOLQXFVSA-N 2 1 321.509 2.395 20 30 DEEDMP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739280 793206388 /nfs/dbraw/zinc/20/63/88/793206388.db2.gz BIKUUQOOSFGABQ-AEFFLSMTSA-N 2 1 312.461 2.227 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156497 793517884 /nfs/dbraw/zinc/51/78/84/793517884.db2.gz WTDRMDXPIHFUHI-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156497 793517889 /nfs/dbraw/zinc/51/78/89/793517889.db2.gz WTDRMDXPIHFUHI-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475382 793626316 /nfs/dbraw/zinc/62/63/16/793626316.db2.gz LZJILPBAKSITQE-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004842 793876854 /nfs/dbraw/zinc/87/68/54/793876854.db2.gz ARZXCLSYIKLKBP-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004842 793876860 /nfs/dbraw/zinc/87/68/60/793876860.db2.gz ARZXCLSYIKLKBP-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004842 793876864 /nfs/dbraw/zinc/87/68/64/793876864.db2.gz ARZXCLSYIKLKBP-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612479 794159718 /nfs/dbraw/zinc/15/97/18/794159718.db2.gz FKSYFIBQYIESSD-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612479 794159724 /nfs/dbraw/zinc/15/97/24/794159724.db2.gz FKSYFIBQYIESSD-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612479 794159730 /nfs/dbraw/zinc/15/97/30/794159730.db2.gz FKSYFIBQYIESSD-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655002 794179255 /nfs/dbraw/zinc/17/92/55/794179255.db2.gz LCMIUVDFWZPOPU-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870928 794508111 /nfs/dbraw/zinc/50/81/11/794508111.db2.gz SVXKWFWAADKUID-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870928 794508117 /nfs/dbraw/zinc/50/81/17/794508117.db2.gz SVXKWFWAADKUID-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870928 794508124 /nfs/dbraw/zinc/50/81/24/794508124.db2.gz SVXKWFWAADKUID-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111985003 794540917 /nfs/dbraw/zinc/54/09/17/794540917.db2.gz YRUOKNCVGAMBTD-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111985003 794540921 /nfs/dbraw/zinc/54/09/21/794540921.db2.gz YRUOKNCVGAMBTD-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111985003 794540925 /nfs/dbraw/zinc/54/09/25/794540925.db2.gz YRUOKNCVGAMBTD-AOIWGVFYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004411 794543131 /nfs/dbraw/zinc/54/31/31/794543131.db2.gz APCBLWFZDHSWKX-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401544 794624040 /nfs/dbraw/zinc/62/40/40/794624040.db2.gz KSRQTXUYVQSRCI-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450463 794777568 /nfs/dbraw/zinc/77/75/68/794777568.db2.gz BDSLREPAZPNAHO-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634489 794961880 /nfs/dbraw/zinc/96/18/80/794961880.db2.gz WXBDUQCUDSHIBE-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693188 794977756 /nfs/dbraw/zinc/97/77/56/794977756.db2.gz KIRGGXQZZPOUPD-QGZVFWFLSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208216 795421871 /nfs/dbraw/zinc/42/18/71/795421871.db2.gz VUOMUIVRJSZBFN-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421866 795455855 /nfs/dbraw/zinc/45/58/55/795455855.db2.gz FPDZZZIGEWWYQP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422667 795456249 /nfs/dbraw/zinc/45/62/49/795456249.db2.gz NXMBYBXFOFOVAA-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448879 795461882 /nfs/dbraw/zinc/46/18/82/795461882.db2.gz HYEZEMJVDOBXPF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448879 795461887 /nfs/dbraw/zinc/46/18/87/795461887.db2.gz HYEZEMJVDOBXPF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448879 795461893 /nfs/dbraw/zinc/46/18/93/795461893.db2.gz HYEZEMJVDOBXPF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120835074 795540119 /nfs/dbraw/zinc/54/01/19/795540119.db2.gz VIQXQKAMNDTETH-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122021709 795717731 /nfs/dbraw/zinc/71/77/31/795717731.db2.gz DFWLNTFBCYMOEL-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576544 795925613 /nfs/dbraw/zinc/92/56/13/795925613.db2.gz FXIQACKLGOWPDD-KBPBESRZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001138121862 796166159 /nfs/dbraw/zinc/16/61/59/796166159.db2.gz OEJHWMZUCFQYDY-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454176 796834037 /nfs/dbraw/zinc/83/40/37/796834037.db2.gz SDJCHNAKKQNCFF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454176 796834040 /nfs/dbraw/zinc/83/40/40/796834040.db2.gz SDJCHNAKKQNCFF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454176 796834043 /nfs/dbraw/zinc/83/40/43/796834043.db2.gz SDJCHNAKKQNCFF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190491574 797020005 /nfs/dbraw/zinc/02/00/05/797020005.db2.gz IQUWTLFYMDJPNY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190491574 797020013 /nfs/dbraw/zinc/02/00/13/797020013.db2.gz IQUWTLFYMDJPNY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190491574 797020020 /nfs/dbraw/zinc/02/00/20/797020020.db2.gz IQUWTLFYMDJPNY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293293 797355415 /nfs/dbraw/zinc/35/54/15/797355415.db2.gz HMHOGTQXOUWBBZ-CABCVRRESA-N 2 1 316.449 2.329 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858748 797464631 /nfs/dbraw/zinc/46/46/31/797464631.db2.gz UGKIWCLGAJRXMI-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858748 797464634 /nfs/dbraw/zinc/46/46/34/797464634.db2.gz UGKIWCLGAJRXMI-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071321 797673511 /nfs/dbraw/zinc/67/35/11/797673511.db2.gz FSEJMANABJWIAB-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275732 797697562 /nfs/dbraw/zinc/69/75/62/797697562.db2.gz XOENUWHJHFOYQJ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607384 797803717 /nfs/dbraw/zinc/80/37/17/797803717.db2.gz OPFOVONVVGGDPY-MRXNPFEDSA-N 2 1 318.465 2.247 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607384 797803723 /nfs/dbraw/zinc/80/37/23/797803723.db2.gz OPFOVONVVGGDPY-MRXNPFEDSA-N 2 1 318.465 2.247 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001155622378 797807908 /nfs/dbraw/zinc/80/79/08/797807908.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001155622378 797807913 /nfs/dbraw/zinc/80/79/13/797807913.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001155622378 797807916 /nfs/dbraw/zinc/80/79/16/797807916.db2.gz VDDBTNMBGVQRBC-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCCCCC ZINC001155878149 797872887 /nfs/dbraw/zinc/87/28/87/797872887.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155878149 797872892 /nfs/dbraw/zinc/87/28/92/797872892.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155878149 797872899 /nfs/dbraw/zinc/87/28/99/797872899.db2.gz VVZCWEKOLIHVKJ-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994472 797900784 /nfs/dbraw/zinc/90/07/84/797900784.db2.gz VFAJBVOMBOOGHR-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994472 797900788 /nfs/dbraw/zinc/90/07/88/797900788.db2.gz VFAJBVOMBOOGHR-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001157118976 798146644 /nfs/dbraw/zinc/14/66/44/798146644.db2.gz QQCZMUFVKQPHJD-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157118976 798146649 /nfs/dbraw/zinc/14/66/49/798146649.db2.gz QQCZMUFVKQPHJD-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157118976 798146653 /nfs/dbraw/zinc/14/66/53/798146653.db2.gz QQCZMUFVKQPHJD-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473385 798412486 /nfs/dbraw/zinc/41/24/86/798412486.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473385 798412492 /nfs/dbraw/zinc/41/24/92/798412492.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473385 798412499 /nfs/dbraw/zinc/41/24/99/798412499.db2.gz KRWDJRFNAQLSRL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751589 798463215 /nfs/dbraw/zinc/46/32/15/798463215.db2.gz ZFKPADKDGKFIKM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751589 798463219 /nfs/dbraw/zinc/46/32/19/798463219.db2.gz ZFKPADKDGKFIKM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751589 798463221 /nfs/dbraw/zinc/46/32/21/798463221.db2.gz ZFKPADKDGKFIKM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569106 798781718 /nfs/dbraw/zinc/78/17/18/798781718.db2.gz CQYLEKJWROSERZ-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818584 798800547 /nfs/dbraw/zinc/80/05/47/798800547.db2.gz QPOUJXDGJJTGQM-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001161323130 798827905 /nfs/dbraw/zinc/82/79/05/798827905.db2.gz CZOAFKHCVCVHJM-DZGCQCFKSA-N 2 1 318.465 2.274 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161397986 798846641 /nfs/dbraw/zinc/84/66/41/798846641.db2.gz LVKUHBHJHYPJJE-QGZVFWFLSA-N 2 1 317.477 2.023 20 30 DEEDMP N#Cc1c(NCc2[nH+]cn3ccccc23)ncc2c1CCC[NH2+]C2 ZINC001161680914 798910553 /nfs/dbraw/zinc/91/05/53/798910553.db2.gz SLKUMAXXQDWPLM-UHFFFAOYSA-N 2 1 318.384 2.249 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893302 798961418 /nfs/dbraw/zinc/96/14/18/798961418.db2.gz BNNWNIGPOBTGEP-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757700 799434892 /nfs/dbraw/zinc/43/48/92/799434892.db2.gz PVDYGGLEKFMAJJ-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095499101 799633513 /nfs/dbraw/zinc/63/35/13/799633513.db2.gz QFALRLUKMRUSPN-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095499101 799633518 /nfs/dbraw/zinc/63/35/18/799633518.db2.gz QFALRLUKMRUSPN-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165763753 799772017 /nfs/dbraw/zinc/77/20/17/799772017.db2.gz FNYJJXUBRUFRFO-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165920072 799794322 /nfs/dbraw/zinc/79/43/22/799794322.db2.gz OOPITBYNYMJYAF-INIZCTEOSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420788 800044224 /nfs/dbraw/zinc/04/42/24/800044224.db2.gz XDVYDXQMZXQFEM-CABCVRRESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853279 800133504 /nfs/dbraw/zinc/13/35/04/800133504.db2.gz PPBFIJJILQKMBC-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP N#Cc1cc(C[NH+]2CCC(C[NH3+])CC2)ccc1Br ZINC001205047463 800290503 /nfs/dbraw/zinc/29/05/03/800290503.db2.gz UYJCIKZZASXFDN-UHFFFAOYSA-N 2 1 308.223 2.491 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207263510 800718421 /nfs/dbraw/zinc/71/84/21/800718421.db2.gz URTJBXNNUMKDMA-OWCLPIDISA-N 2 1 313.461 2.069 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207263509 800719105 /nfs/dbraw/zinc/71/91/05/800719105.db2.gz URTJBXNNUMKDMA-BZUAXINKSA-N 2 1 313.461 2.069 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396997 800743545 /nfs/dbraw/zinc/74/35/45/800743545.db2.gz BJZYPVPDPTVTGH-MSOLQXFVSA-N 2 1 308.466 2.154 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279257 800945053 /nfs/dbraw/zinc/94/50/53/800945053.db2.gz LTCTYHPVRSIVEG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCC)C1 ZINC001208356665 800964718 /nfs/dbraw/zinc/96/47/18/800964718.db2.gz YGFJGJZKVTUQDE-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCC)C1 ZINC001208356665 800964723 /nfs/dbraw/zinc/96/47/23/800964723.db2.gz YGFJGJZKVTUQDE-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609825 801031925 /nfs/dbraw/zinc/03/19/25/801031925.db2.gz NFRDJYXVQQSYMB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609825 801031931 /nfs/dbraw/zinc/03/19/31/801031931.db2.gz NFRDJYXVQQSYMB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609825 801031935 /nfs/dbraw/zinc/03/19/35/801031935.db2.gz NFRDJYXVQQSYMB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209161554 801139680 /nfs/dbraw/zinc/13/96/80/801139680.db2.gz MEQSDEMMOZTONT-UHFFFAOYSA-N 2 1 316.449 2.011 20 30 DEEDMP C=CCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209161554 801139687 /nfs/dbraw/zinc/13/96/87/801139687.db2.gz MEQSDEMMOZTONT-UHFFFAOYSA-N 2 1 316.449 2.011 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250357 801158833 /nfs/dbraw/zinc/15/88/33/801158833.db2.gz DDNDZYRDLQZMGB-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCCC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001209267202 801162095 /nfs/dbraw/zinc/16/20/95/801162095.db2.gz MLIMOEZVFCSUBA-UHFFFAOYSA-N 2 1 300.450 2.264 20 30 DEEDMP C#CCCC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001209267202 801162098 /nfs/dbraw/zinc/16/20/98/801162098.db2.gz MLIMOEZVFCSUBA-UHFFFAOYSA-N 2 1 300.450 2.264 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209660626 801249245 /nfs/dbraw/zinc/24/92/45/801249245.db2.gz QZZJISKUYCVKSJ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230280478 801380682 /nfs/dbraw/zinc/38/06/82/801380682.db2.gz YVZPHYCYBMTCMY-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211072659 801508455 /nfs/dbraw/zinc/50/84/55/801508455.db2.gz UPOXUMKSIWTPSO-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343611 801550615 /nfs/dbraw/zinc/55/06/15/801550615.db2.gz CCBNLKOZKBJQEI-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343611 801550621 /nfs/dbraw/zinc/55/06/21/801550621.db2.gz CCBNLKOZKBJQEI-UKRRQHHQSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215766896 801902399 /nfs/dbraw/zinc/90/23/99/801902399.db2.gz NHIXTRNMDXGKKS-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP CN(C)c1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)c1C#N ZINC001233102067 802026594 /nfs/dbraw/zinc/02/65/94/802026594.db2.gz NIWVGPCICLAZGQ-UHFFFAOYSA-N 2 1 316.424 2.291 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234644361 802439926 /nfs/dbraw/zinc/43/99/26/802439926.db2.gz TXYDXQDAODNQQZ-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221766709 802613635 /nfs/dbraw/zinc/61/36/35/802613635.db2.gz BQALWEZVJARXQU-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221766709 802613641 /nfs/dbraw/zinc/61/36/41/802613641.db2.gz BQALWEZVJARXQU-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001221766709 802613646 /nfs/dbraw/zinc/61/36/46/802613646.db2.gz BQALWEZVJARXQU-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811631 802617804 /nfs/dbraw/zinc/61/78/04/802617804.db2.gz CUZXOGZSRKKNIY-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001223259700 802775993 /nfs/dbraw/zinc/77/59/93/802775993.db2.gz QBWJKAPAXNOVMM-OAHLLOKOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489861 802795241 /nfs/dbraw/zinc/79/52/41/802795241.db2.gz ZOECYDANCNAOGE-ZACQAIPSSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001228932256 803432523 /nfs/dbraw/zinc/43/25/23/803432523.db2.gz LCKOAAODQQMQTE-KZNAEPCWSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001368465452 1148456309 /nfs/dbraw/zinc/45/63/09/1148456309.db2.gz CSKYEMYTOKSRGC-CQSZACIVSA-N 2 1 313.873 2.240 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328796101 1148836017 /nfs/dbraw/zinc/83/60/17/1148836017.db2.gz GUFWGKGRNUGTBH-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111552 1058498648 /nfs/dbraw/zinc/49/86/48/1058498648.db2.gz QRGZGRUTBNFULK-DOTOQJQBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001501172212 1059347602 /nfs/dbraw/zinc/34/76/02/1059347602.db2.gz RSGCBJBBFDJHQE-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501172212 1059347625 /nfs/dbraw/zinc/34/76/25/1059347625.db2.gz RSGCBJBBFDJHQE-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001501172212 1059347648 /nfs/dbraw/zinc/34/76/48/1059347648.db2.gz RSGCBJBBFDJHQE-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001501396104 1059488285 /nfs/dbraw/zinc/48/82/85/1059488285.db2.gz SRLLIGOTUXXXJB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001501396104 1059488294 /nfs/dbraw/zinc/48/82/94/1059488294.db2.gz SRLLIGOTUXXXJB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001501396104 1059488304 /nfs/dbraw/zinc/48/83/04/1059488304.db2.gz SRLLIGOTUXXXJB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502968401 1060407379 /nfs/dbraw/zinc/40/73/79/1060407379.db2.gz MAOMQEUBBAVXQO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001479561618 1061503745 /nfs/dbraw/zinc/50/37/45/1061503745.db2.gz FQJTYDMSFSEHKX-SQNIBIBYSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001479674653 1061581938 /nfs/dbraw/zinc/58/19/38/1061581938.db2.gz LUCXTMZZLRAMLX-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479968470 1062124728 /nfs/dbraw/zinc/12/47/28/1062124728.db2.gz LIHFKXSLCSAMLQ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001479968470 1062124739 /nfs/dbraw/zinc/12/47/39/1062124739.db2.gz LIHFKXSLCSAMLQ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001479968470 1062124755 /nfs/dbraw/zinc/12/47/55/1062124755.db2.gz LIHFKXSLCSAMLQ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001506559023 1062130423 /nfs/dbraw/zinc/13/04/23/1062130423.db2.gz NRSOXYJKDDWILZ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001506559023 1062130435 /nfs/dbraw/zinc/13/04/35/1062130435.db2.gz NRSOXYJKDDWILZ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001506559023 1062130446 /nfs/dbraw/zinc/13/04/46/1062130446.db2.gz NRSOXYJKDDWILZ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480265330 1062566327 /nfs/dbraw/zinc/56/63/27/1062566327.db2.gz IXIGBBWMNWHVKM-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001506960841 1062600726 /nfs/dbraw/zinc/60/07/26/1062600726.db2.gz DFDHTGUQDISHSX-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001506960841 1062600743 /nfs/dbraw/zinc/60/07/43/1062600743.db2.gz DFDHTGUQDISHSX-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001506960841 1062600756 /nfs/dbraw/zinc/60/07/56/1062600756.db2.gz DFDHTGUQDISHSX-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480361259 1062712266 /nfs/dbraw/zinc/71/22/66/1062712266.db2.gz JWPGDFBUKOSCGV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001507290530 1063041714 /nfs/dbraw/zinc/04/17/14/1063041714.db2.gz SFYLCFBDOKPQNS-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961977 1063479551 /nfs/dbraw/zinc/47/95/51/1063479551.db2.gz QVNNTMBRVDMJFC-IRXDYDNUSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961977 1063479568 /nfs/dbraw/zinc/47/95/68/1063479568.db2.gz QVNNTMBRVDMJFC-IRXDYDNUSA-N 2 1 319.493 2.171 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494159711 1064148429 /nfs/dbraw/zinc/14/84/29/1064148429.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494159711 1064148434 /nfs/dbraw/zinc/14/84/34/1064148434.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494159711 1064148442 /nfs/dbraw/zinc/14/84/42/1064148442.db2.gz MICQMKMZLHJHHX-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001494197714 1064169510 /nfs/dbraw/zinc/16/95/10/1064169510.db2.gz IEHHZZZJMZRFMM-KRWDZBQOSA-N 2 1 309.498 2.319 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001567666129 1064328650 /nfs/dbraw/zinc/32/86/50/1064328650.db2.gz SOLKKBXECMTPHH-ROUUACIJSA-N 2 1 315.461 2.351 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567682793 1064339005 /nfs/dbraw/zinc/33/90/05/1064339005.db2.gz PLCSEKXSSPHAMO-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001567682793 1064339020 /nfs/dbraw/zinc/33/90/20/1064339020.db2.gz PLCSEKXSSPHAMO-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567682793 1064339030 /nfs/dbraw/zinc/33/90/30/1064339030.db2.gz PLCSEKXSSPHAMO-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567810645 1064435443 /nfs/dbraw/zinc/43/54/43/1064435443.db2.gz UICKLORGWZJRAD-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001494875555 1064535648 /nfs/dbraw/zinc/53/56/48/1064535648.db2.gz KLDGXRRCXPIWNX-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001568294936 1064760355 /nfs/dbraw/zinc/76/03/55/1064760355.db2.gz KYFLVDGXVQBULS-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001495278339 1064803282 /nfs/dbraw/zinc/80/32/82/1064803282.db2.gz HPLDKOWUWMSFFK-QFBILLFUSA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001568412278 1064849333 /nfs/dbraw/zinc/84/93/33/1064849333.db2.gz QFKXBEPGMVCPCZ-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001495488230 1064940948 /nfs/dbraw/zinc/94/09/48/1064940948.db2.gz LQRMZZGQBNWTDF-SFHVURJKSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001495600374 1064996681 /nfs/dbraw/zinc/99/66/81/1064996681.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001495600374 1064996691 /nfs/dbraw/zinc/99/66/91/1064996691.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001495600374 1064996699 /nfs/dbraw/zinc/99/66/99/1064996699.db2.gz YEKLEVWDWZVYMF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386059 1065481999 /nfs/dbraw/zinc/48/19/99/1065481999.db2.gz IYGASXUBDZCEMX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436386 1065507997 /nfs/dbraw/zinc/50/79/97/1065507997.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436386 1065508012 /nfs/dbraw/zinc/50/80/12/1065508012.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436386 1065508022 /nfs/dbraw/zinc/50/80/22/1065508022.db2.gz HPXHBNAZPWQMGU-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569440373 1065509304 /nfs/dbraw/zinc/50/93/04/1065509304.db2.gz HMUYXDKCTNSNNU-AJYUKVHDSA-N 2 1 319.493 2.404 20 30 DEEDMP C#CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C(C)C)CC1 ZINC001569592979 1065612290 /nfs/dbraw/zinc/61/22/90/1065612290.db2.gz JBBHOPSBQFINKE-UHFFFAOYSA-N 2 1 321.509 2.299 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001569715322 1065687612 /nfs/dbraw/zinc/68/76/12/1065687612.db2.gz MOONNQRNJRNFCJ-LJQANCHMSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569726654 1065694047 /nfs/dbraw/zinc/69/40/47/1065694047.db2.gz SMTYZGJZSMBORE-LJQANCHMSA-N 2 1 319.493 2.104 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1CC ZINC001569802692 1065725680 /nfs/dbraw/zinc/72/56/80/1065725680.db2.gz YWSCEQMESOGBIP-FUHWJXTLSA-N 2 1 315.461 2.134 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001569847962 1065764395 /nfs/dbraw/zinc/76/43/95/1065764395.db2.gz BEAPSGCKNBVDMZ-CVEARBPZSA-N 2 1 318.465 2.267 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570275046 1066001379 /nfs/dbraw/zinc/00/13/79/1066001379.db2.gz OJVNTVGJRKYHIZ-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437587 1066068146 /nfs/dbraw/zinc/06/81/46/1066068146.db2.gz OVDRFXKIISNDKV-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437587 1066068161 /nfs/dbraw/zinc/06/81/61/1066068161.db2.gz OVDRFXKIISNDKV-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001632827268 1078392022 /nfs/dbraw/zinc/39/20/22/1078392022.db2.gz VMICTVKHAZQITK-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001483406007 1078513420 /nfs/dbraw/zinc/51/34/20/1078513420.db2.gz PAGODQKUHZTIMX-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001483406007 1078513428 /nfs/dbraw/zinc/51/34/28/1078513428.db2.gz PAGODQKUHZTIMX-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001483406007 1078513433 /nfs/dbraw/zinc/51/34/33/1078513433.db2.gz PAGODQKUHZTIMX-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001483438879 1078533853 /nfs/dbraw/zinc/53/38/53/1078533853.db2.gz VRWREEKZUGQVRR-RDJZCZTQSA-N 2 1 307.482 2.311 20 30 DEEDMP Cn1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC001579964193 1067463479 /nfs/dbraw/zinc/46/34/79/1067463479.db2.gz LFHNRQHXOWUOTE-SJORKVTESA-N 2 1 321.428 2.000 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001483438880 1078534152 /nfs/dbraw/zinc/53/41/52/1078534152.db2.gz VRWREEKZUGQVRR-WBVHZDCISA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001267151830 1078616151 /nfs/dbraw/zinc/61/61/51/1078616151.db2.gz VOXXRSQEPIZTPD-FUHWJXTLSA-N 2 1 315.461 2.187 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001570547957 1067998891 /nfs/dbraw/zinc/99/88/91/1067998891.db2.gz IVVFNPCCRMWJQD-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267174064 1078638146 /nfs/dbraw/zinc/63/81/46/1078638146.db2.gz VRUVRFJUNRTDPF-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001570680539 1068066474 /nfs/dbraw/zinc/06/64/74/1068066474.db2.gz GMTJHWJTAVPTCM-HNNXBMFYSA-N 2 1 318.465 2.014 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001570798716 1068120060 /nfs/dbraw/zinc/12/00/60/1068120060.db2.gz QZJCDAPMQIOEJO-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001267191808 1078653943 /nfs/dbraw/zinc/65/39/43/1078653943.db2.gz YZOJGULYHRSKRL-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267202965 1078662434 /nfs/dbraw/zinc/66/24/34/1078662434.db2.gz AUKFNDHELOIIFT-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267216876 1078672604 /nfs/dbraw/zinc/67/26/04/1078672604.db2.gz SJBFXFCBDPXDOH-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571373884 1068257719 /nfs/dbraw/zinc/25/77/19/1068257719.db2.gz QJUDRJZCKFLTOG-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001267334009 1078772942 /nfs/dbraw/zinc/77/29/42/1078772942.db2.gz UVRGZZQPUDNJJC-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267350385 1078785079 /nfs/dbraw/zinc/78/50/79/1078785079.db2.gz DISMUUGSUYEWLM-IRXDYDNUSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698844 1078819738 /nfs/dbraw/zinc/81/97/38/1078819738.db2.gz XHOBGCOEERKJPA-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267546687 1078976961 /nfs/dbraw/zinc/97/69/61/1078976961.db2.gz BYGZGZWKFTZGSN-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267546687 1078976965 /nfs/dbraw/zinc/97/69/65/1078976965.db2.gz BYGZGZWKFTZGSN-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267546687 1078976981 /nfs/dbraw/zinc/97/69/81/1078976981.db2.gz BYGZGZWKFTZGSN-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803084 1079130094 /nfs/dbraw/zinc/13/00/94/1079130094.db2.gz ZEWKODPSDBYBHV-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001483882445 1079169697 /nfs/dbraw/zinc/16/96/97/1079169697.db2.gz BERQQEQULZUYRP-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001483882445 1079169695 /nfs/dbraw/zinc/16/96/95/1079169695.db2.gz BERQQEQULZUYRP-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001671238104 1074984533 /nfs/dbraw/zinc/98/45/33/1074984533.db2.gz KDVMHADPSXGTFP-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC#N ZINC001650051515 1079379364 /nfs/dbraw/zinc/37/93/64/1079379364.db2.gz FEAOHQKSZUEYIA-ATLSCFEFSA-N 2 1 301.434 2.007 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566795039 1075347166 /nfs/dbraw/zinc/34/71/66/1075347166.db2.gz QOTLFOFZHQMPJV-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566966330 1075402932 /nfs/dbraw/zinc/40/29/32/1075402932.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966330 1075402933 /nfs/dbraw/zinc/40/29/33/1075402933.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966330 1075402934 /nfs/dbraw/zinc/40/29/34/1075402934.db2.gz UFNQJXCYUDWBIB-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267750141 1079451738 /nfs/dbraw/zinc/45/17/38/1079451738.db2.gz XYXJFKQCIBNVSA-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267898950 1079585365 /nfs/dbraw/zinc/58/53/65/1079585365.db2.gz YEQQXQXYCFXUAF-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484412055 1079597653 /nfs/dbraw/zinc/59/76/53/1079597653.db2.gz IKXWBGWPESWUED-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484527747 1079641364 /nfs/dbraw/zinc/64/13/64/1079641364.db2.gz XXWJXGNDVRMNLS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481340288 1079734388 /nfs/dbraw/zinc/73/43/88/1079734388.db2.gz PQYTZVVCLBUDQY-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481527803 1080002358 /nfs/dbraw/zinc/00/23/58/1080002358.db2.gz KPELOWAEKKDABF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481527803 1080002368 /nfs/dbraw/zinc/00/23/68/1080002368.db2.gz KPELOWAEKKDABF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481527803 1080002378 /nfs/dbraw/zinc/00/23/78/1080002378.db2.gz KPELOWAEKKDABF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481527803 1080002387 /nfs/dbraw/zinc/00/23/87/1080002387.db2.gz KPELOWAEKKDABF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001671648943 1080041621 /nfs/dbraw/zinc/04/16/21/1080041621.db2.gz MIJRVGVFEMCMJW-WMZOPIPTSA-N 2 1 316.449 2.074 20 30 DEEDMP CC#CCN1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001671648943 1080041632 /nfs/dbraw/zinc/04/16/32/1080041632.db2.gz MIJRVGVFEMCMJW-WMZOPIPTSA-N 2 1 316.449 2.074 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001656109946 1080047127 /nfs/dbraw/zinc/04/71/27/1080047127.db2.gz VMPQVIYLCJYAMZ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001656547238 1080101730 /nfs/dbraw/zinc/10/17/30/1080101730.db2.gz XOHZFSKMYKMJJT-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001268269284 1080249382 /nfs/dbraw/zinc/24/93/82/1080249382.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268269284 1080249388 /nfs/dbraw/zinc/24/93/88/1080249388.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268269284 1080249394 /nfs/dbraw/zinc/24/93/94/1080249394.db2.gz LUYUBYRKDKHONN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268283061 1080262344 /nfs/dbraw/zinc/26/23/44/1080262344.db2.gz UULGINAQZODAMZ-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001485666585 1080356012 /nfs/dbraw/zinc/35/60/12/1080356012.db2.gz POIVYJVQFVUYSW-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001485666585 1080356009 /nfs/dbraw/zinc/35/60/09/1080356009.db2.gz POIVYJVQFVUYSW-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001485666585 1080356022 /nfs/dbraw/zinc/35/60/22/1080356022.db2.gz POIVYJVQFVUYSW-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268366615 1080377446 /nfs/dbraw/zinc/37/74/46/1080377446.db2.gz NZMTXSHTICKTPA-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485766166 1080422275 /nfs/dbraw/zinc/42/22/75/1080422275.db2.gz ANEZCSPIUQEBPL-MRXNPFEDSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661216132 1080457741 /nfs/dbraw/zinc/45/77/41/1080457741.db2.gz KBTSNAONMAUWAC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661216132 1080457743 /nfs/dbraw/zinc/45/77/43/1080457743.db2.gz KBTSNAONMAUWAC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661216132 1080457744 /nfs/dbraw/zinc/45/77/44/1080457744.db2.gz KBTSNAONMAUWAC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001661435339 1080480860 /nfs/dbraw/zinc/48/08/60/1080480860.db2.gz OEZVBORFMLMYRY-BFYDXBDKSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268455006 1080498888 /nfs/dbraw/zinc/49/88/88/1080498888.db2.gz WUYAXSYFEZOXIN-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661724440 1080513067 /nfs/dbraw/zinc/51/30/67/1080513067.db2.gz VNCVORBCIUHUMR-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001481900297 1080590672 /nfs/dbraw/zinc/59/06/72/1080590672.db2.gz SYUNKLWEFJWQEB-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001662838846 1080666643 /nfs/dbraw/zinc/66/66/43/1080666643.db2.gz KMAHNMQUXGQRPV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001662838846 1080666645 /nfs/dbraw/zinc/66/66/45/1080666645.db2.gz KMAHNMQUXGQRPV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001662838846 1080666646 /nfs/dbraw/zinc/66/66/46/1080666646.db2.gz KMAHNMQUXGQRPV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001482010892 1080685559 /nfs/dbraw/zinc/68/55/59/1080685559.db2.gz WQUNWQDUGRDOIX-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001663536449 1080771232 /nfs/dbraw/zinc/77/12/32/1080771232.db2.gz BNPCVFIGXXRRFT-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001663536449 1080771237 /nfs/dbraw/zinc/77/12/37/1080771237.db2.gz BNPCVFIGXXRRFT-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663548652 1080772952 /nfs/dbraw/zinc/77/29/52/1080772952.db2.gz UYESRBSPXGVNSO-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001664667901 1080939093 /nfs/dbraw/zinc/93/90/93/1080939093.db2.gz SBTBZHOSRICQKT-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001664667901 1080939099 /nfs/dbraw/zinc/93/90/99/1080939099.db2.gz SBTBZHOSRICQKT-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001664667901 1080939104 /nfs/dbraw/zinc/93/91/04/1080939104.db2.gz SBTBZHOSRICQKT-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268742411 1080963023 /nfs/dbraw/zinc/96/30/23/1080963023.db2.gz HOUFMRNCOGONQJ-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268742411 1080963032 /nfs/dbraw/zinc/96/30/32/1080963032.db2.gz HOUFMRNCOGONQJ-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268742411 1080963037 /nfs/dbraw/zinc/96/30/37/1080963037.db2.gz HOUFMRNCOGONQJ-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001664858808 1080972880 /nfs/dbraw/zinc/97/28/80/1080972880.db2.gz LTKKEZBJCIXRGL-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001665379228 1081020617 /nfs/dbraw/zinc/02/06/17/1081020617.db2.gz PSYXOMONBJHHLP-ULQDDVLXSA-N 2 1 307.482 2.336 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001665379228 1081020623 /nfs/dbraw/zinc/02/06/23/1081020623.db2.gz PSYXOMONBJHHLP-ULQDDVLXSA-N 2 1 307.482 2.336 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001665379228 1081020631 /nfs/dbraw/zinc/02/06/31/1081020631.db2.gz PSYXOMONBJHHLP-ULQDDVLXSA-N 2 1 307.482 2.336 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001665596992 1081044410 /nfs/dbraw/zinc/04/44/10/1081044410.db2.gz AXHNYOQLMYSIRF-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667029066 1081203418 /nfs/dbraw/zinc/20/34/18/1081203418.db2.gz PRHRFDYVDJFFQQ-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001667216896 1081225831 /nfs/dbraw/zinc/22/58/31/1081225831.db2.gz LELXYEOKLCQQFM-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001667216896 1081225833 /nfs/dbraw/zinc/22/58/33/1081225833.db2.gz LELXYEOKLCQQFM-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667488715 1081257453 /nfs/dbraw/zinc/25/74/53/1081257453.db2.gz MWKQIZIMJOKCQF-NVXWUHKLSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001269602082 1081303124 /nfs/dbraw/zinc/30/31/24/1081303124.db2.gz RYJWSSOSKKBQPS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001269602082 1081303130 /nfs/dbraw/zinc/30/31/30/1081303130.db2.gz RYJWSSOSKKBQPS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001269602082 1081303135 /nfs/dbraw/zinc/30/31/35/1081303135.db2.gz RYJWSSOSKKBQPS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669974328 1081485884 /nfs/dbraw/zinc/48/58/84/1081485884.db2.gz UDKCZPKVADYQFS-CVEARBPZSA-N 2 1 318.465 2.457 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001671536211 1081522099 /nfs/dbraw/zinc/52/20/99/1081522099.db2.gz MGMGYUFPVUFWJO-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001671677962 1081532571 /nfs/dbraw/zinc/53/25/71/1081532571.db2.gz GVHCOYBXAKTGDE-KRWDZBQOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001671677962 1081532576 /nfs/dbraw/zinc/53/25/76/1081532576.db2.gz GVHCOYBXAKTGDE-KRWDZBQOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001270728393 1081617106 /nfs/dbraw/zinc/61/71/06/1081617106.db2.gz VKSBYEUVJZTIAK-YJBOKZPZSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001482406141 1081797804 /nfs/dbraw/zinc/79/78/04/1081797804.db2.gz NYSVQHQOPFFFIF-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001271052397 1081889127 /nfs/dbraw/zinc/88/91/27/1081889127.db2.gz ULHVPBYBCWTLCY-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271286210 1082005981 /nfs/dbraw/zinc/00/59/81/1082005981.db2.gz QZANOSDZOKUJOG-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266459824 1082050884 /nfs/dbraw/zinc/05/08/84/1082050884.db2.gz UAGZHNPPRQYPFC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266459824 1082050888 /nfs/dbraw/zinc/05/08/88/1082050888.db2.gz UAGZHNPPRQYPFC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266459824 1082050891 /nfs/dbraw/zinc/05/08/91/1082050891.db2.gz UAGZHNPPRQYPFC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266464758 1082054219 /nfs/dbraw/zinc/05/42/19/1082054219.db2.gz IBZPPGRGWLFFGN-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266472151 1082060572 /nfs/dbraw/zinc/06/05/72/1082060572.db2.gz DJMLZPFCLPSTKF-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001266663270 1082257478 /nfs/dbraw/zinc/25/74/78/1082257478.db2.gz NFFCPFWZICKKIY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663270 1082257482 /nfs/dbraw/zinc/25/74/82/1082257482.db2.gz NFFCPFWZICKKIY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663270 1082257487 /nfs/dbraw/zinc/25/74/87/1082257487.db2.gz NFFCPFWZICKKIY-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266860213 1082404812 /nfs/dbraw/zinc/40/48/12/1082404812.db2.gz ZUJLGGWDVBSJPM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001670842414 1082410372 /nfs/dbraw/zinc/41/03/72/1082410372.db2.gz DJCRYGCEKFWRPW-MRXNPFEDSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266889008 1082431957 /nfs/dbraw/zinc/43/19/57/1082431957.db2.gz AOCPVEYMPIOXIT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001482877999 1082541392 /nfs/dbraw/zinc/54/13/92/1082541392.db2.gz JJZLLUAGRNRVJV-CYBMUJFWSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001409460394 1082902483 /nfs/dbraw/zinc/90/24/83/1082902483.db2.gz ZREJRTASXGLQMP-ZIAGYGMSSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001671138566 1083403339 /nfs/dbraw/zinc/40/33/39/1083403339.db2.gz ZZWYMFFNIAZDNQ-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546525 1083473926 /nfs/dbraw/zinc/47/39/26/1083473926.db2.gz GMESPFWCSHYGID-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276606919 1083511902 /nfs/dbraw/zinc/51/19/02/1083511902.db2.gz CYXOQGJGKQCQKZ-JKSUJKDBSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001272748993 1083626714 /nfs/dbraw/zinc/62/67/14/1083626714.db2.gz VZZDIHNQBWLDMW-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP Cc1cc(N2CC3(C2)CC[N@H+](Cc2cc(C#N)n(C)c2)C3)cc[nH+]1 ZINC001277065065 1083756253 /nfs/dbraw/zinc/75/62/53/1083756253.db2.gz SPQWPISECVIDRJ-UHFFFAOYSA-N 2 1 321.428 2.313 20 30 DEEDMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277280154 1083891632 /nfs/dbraw/zinc/89/16/32/1083891632.db2.gz NNEIRKFWGPRXQN-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277394074 1083943903 /nfs/dbraw/zinc/94/39/03/1083943903.db2.gz XTNNBMOUWYJYBJ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001490945282 1083967851 /nfs/dbraw/zinc/96/78/51/1083967851.db2.gz CZAAKIRDNDLLGN-BZSNNMDCSA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001490960582 1083974360 /nfs/dbraw/zinc/97/43/60/1083974360.db2.gz WVJYUNQDSPUISP-IYARVYRRSA-N 2 1 315.461 2.321 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001490960582 1083974368 /nfs/dbraw/zinc/97/43/68/1083974368.db2.gz WVJYUNQDSPUISP-IYARVYRRSA-N 2 1 315.461 2.321 20 30 DEEDMP Cn1cc(C[NH+]2CC3(C2)CCCN(c2cc[nH+]cc2)C3)cc1C#N ZINC001277693476 1084098522 /nfs/dbraw/zinc/09/85/22/1084098522.db2.gz IJZIQUIGKQIACE-UHFFFAOYSA-N 2 1 321.428 2.394 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115729973 1084168463 /nfs/dbraw/zinc/16/84/63/1084168463.db2.gz AABRULCTVLTGBB-UHFFFAOYSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235339809 1084396159 /nfs/dbraw/zinc/39/61/59/1084396159.db2.gz YXZXEVGXDSNLLJ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235339809 1084396170 /nfs/dbraw/zinc/39/61/70/1084396170.db2.gz YXZXEVGXDSNLLJ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391836 1084416697 /nfs/dbraw/zinc/41/66/97/1084416697.db2.gz GGXJXEPBLIEDFO-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235391836 1084416700 /nfs/dbraw/zinc/41/67/00/1084416700.db2.gz GGXJXEPBLIEDFO-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943020 1084421919 /nfs/dbraw/zinc/42/19/19/1084421919.db2.gz KCPADWRHXVYLSK-UHFFFAOYSA-N 2 1 315.465 2.495 20 30 DEEDMP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC001277943020 1084421928 /nfs/dbraw/zinc/42/19/28/1084421928.db2.gz KCPADWRHXVYLSK-UHFFFAOYSA-N 2 1 315.465 2.495 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)C ZINC001235455776 1084435612 /nfs/dbraw/zinc/43/56/12/1084435612.db2.gz RHTOWBVGXNIDEX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)C ZINC001235455776 1084435617 /nfs/dbraw/zinc/43/56/17/1084435617.db2.gz RHTOWBVGXNIDEX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)C ZINC001235455776 1084435619 /nfs/dbraw/zinc/43/56/19/1084435619.db2.gz RHTOWBVGXNIDEX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)C ZINC001235455776 1084435624 /nfs/dbraw/zinc/43/56/24/1084435624.db2.gz RHTOWBVGXNIDEX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001486175769 1085106029 /nfs/dbraw/zinc/10/60/29/1085106029.db2.gz FUDJFIKCLSYRHO-DOTOQJQBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001486175769 1085106032 /nfs/dbraw/zinc/10/60/32/1085106032.db2.gz FUDJFIKCLSYRHO-DOTOQJQBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001486175769 1085106033 /nfs/dbraw/zinc/10/60/33/1085106033.db2.gz FUDJFIKCLSYRHO-DOTOQJQBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001486175769 1085106036 /nfs/dbraw/zinc/10/60/36/1085106036.db2.gz FUDJFIKCLSYRHO-DOTOQJQBSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800040 1086560648 /nfs/dbraw/zinc/56/06/48/1086560648.db2.gz CLGGZXAFLZHQDU-VFIJXHPYSA-N 2 1 317.477 2.064 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850189 1088475155 /nfs/dbraw/zinc/47/51/55/1088475155.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850189 1088475167 /nfs/dbraw/zinc/47/51/67/1088475167.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850189 1088475175 /nfs/dbraw/zinc/47/51/75/1088475175.db2.gz JJYMVEDLFPQZNN-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903793 1089087269 /nfs/dbraw/zinc/08/72/69/1089087269.db2.gz LYNCBRPKEBTZNB-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903793 1089087284 /nfs/dbraw/zinc/08/72/84/1089087284.db2.gz LYNCBRPKEBTZNB-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903793 1089087299 /nfs/dbraw/zinc/08/72/99/1089087299.db2.gz LYNCBRPKEBTZNB-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623955 1089397075 /nfs/dbraw/zinc/39/70/75/1089397075.db2.gz ISOGFTJGVDLZJV-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623955 1089397096 /nfs/dbraw/zinc/39/70/96/1089397096.db2.gz ISOGFTJGVDLZJV-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623955 1089397113 /nfs/dbraw/zinc/39/71/13/1089397113.db2.gz ISOGFTJGVDLZJV-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559433 1090006709 /nfs/dbraw/zinc/00/67/09/1090006709.db2.gz FKJDKXBXMQFPEM-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944411 1090111072 /nfs/dbraw/zinc/11/10/72/1090111072.db2.gz UJXYAKQSVLAHES-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405318 1090290784 /nfs/dbraw/zinc/29/07/84/1090290784.db2.gz HTOMFWRPHAKZQO-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405318 1090290789 /nfs/dbraw/zinc/29/07/89/1090290789.db2.gz HTOMFWRPHAKZQO-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405318 1090290796 /nfs/dbraw/zinc/29/07/96/1090290796.db2.gz HTOMFWRPHAKZQO-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484423 1090304126 /nfs/dbraw/zinc/30/41/26/1090304126.db2.gz UTEKBYRAQRWDFS-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001411209831 1091421719 /nfs/dbraw/zinc/42/17/19/1091421719.db2.gz QLEWMNVXURKMKL-ZIAGYGMSSA-N 2 1 315.889 2.344 20 30 DEEDMP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023372 1091689868 /nfs/dbraw/zinc/68/98/68/1091689868.db2.gz RKGBOWZFMYMUKH-ULQDDVLXSA-N 2 1 300.487 2.130 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726417 1091902942 /nfs/dbraw/zinc/90/29/42/1091902942.db2.gz QHBSPRBFKUNRCN-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001275624335 1091917594 /nfs/dbraw/zinc/91/75/94/1091917594.db2.gz KQJQQYQJJGNCPJ-UHFFFAOYSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598698 1091943328 /nfs/dbraw/zinc/94/33/28/1091943328.db2.gz GQAPWOUPYHGSTD-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2cnc[nH]2)CC1 ZINC000948811920 1091951567 /nfs/dbraw/zinc/95/15/67/1091951567.db2.gz BHTQWASZHCFYAT-MRXNPFEDSA-N 2 1 304.438 2.231 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646985 1092656618 /nfs/dbraw/zinc/65/66/18/1092656618.db2.gz HNAAPJYMWSFXEI-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001489068912 1092903087 /nfs/dbraw/zinc/90/30/87/1092903087.db2.gz HUACHQJJFICZKW-QZTJIDSGSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001489232721 1092997798 /nfs/dbraw/zinc/99/77/98/1092997798.db2.gz JASAAJNQYUVMGE-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320247 1093159269 /nfs/dbraw/zinc/15/92/69/1093159269.db2.gz JOSUHCSDIJESOL-VQIMIIECSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001490331878 1093317242 /nfs/dbraw/zinc/31/72/42/1093317242.db2.gz YQSORVJPDXFQSE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001490331878 1093317248 /nfs/dbraw/zinc/31/72/48/1093317248.db2.gz YQSORVJPDXFQSE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001490331878 1093317259 /nfs/dbraw/zinc/31/72/59/1093317259.db2.gz YQSORVJPDXFQSE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001490804967 1093611619 /nfs/dbraw/zinc/61/16/19/1093611619.db2.gz FMDJIQIWSMUUPX-YESZJQIVSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001490804967 1093611627 /nfs/dbraw/zinc/61/16/27/1093611627.db2.gz FMDJIQIWSMUUPX-YESZJQIVSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001490804967 1093611637 /nfs/dbraw/zinc/61/16/37/1093611637.db2.gz FMDJIQIWSMUUPX-YESZJQIVSA-N 2 1 307.482 2.357 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCC1)C(C)C ZINC001691732820 1138215870 /nfs/dbraw/zinc/21/58/70/1138215870.db2.gz MMCXGYNPTLUTDY-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC1CCC1)C(C)C ZINC001691732820 1138215858 /nfs/dbraw/zinc/21/58/58/1138215858.db2.gz MMCXGYNPTLUTDY-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC1CCC1)C(C)C ZINC001691732820 1138215861 /nfs/dbraw/zinc/21/58/61/1138215861.db2.gz MMCXGYNPTLUTDY-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCC1)C(C)C ZINC001691732820 1138215865 /nfs/dbraw/zinc/21/58/65/1138215865.db2.gz MMCXGYNPTLUTDY-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246023153 1140848571 /nfs/dbraw/zinc/84/85/71/1140848571.db2.gz ONYGQQDSDDNCJI-GVDBMIGSSA-N 2 1 300.487 2.272 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C[C@@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001246198224 1140872122 /nfs/dbraw/zinc/87/21/22/1140872122.db2.gz DTOZTAMZUFNMKL-BFZKSOEOSA-N 2 1 306.450 2.252 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001246304138 1140882754 /nfs/dbraw/zinc/88/27/54/1140882754.db2.gz JKYUDEGPVUXLIW-JYJNAYRXSA-N 2 1 314.470 2.397 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709444 1141039382 /nfs/dbraw/zinc/03/93/82/1141039382.db2.gz SIQNPVWSSXOJRL-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001323736526 1141882273 /nfs/dbraw/zinc/88/22/73/1141882273.db2.gz QYMVSJHMCUFXIT-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001323736526 1141882275 /nfs/dbraw/zinc/88/22/75/1141882275.db2.gz QYMVSJHMCUFXIT-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001323736526 1141882276 /nfs/dbraw/zinc/88/22/76/1141882276.db2.gz QYMVSJHMCUFXIT-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001324273032 1142044810 /nfs/dbraw/zinc/04/48/10/1142044810.db2.gz GNNUAXHKRDYZJP-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001324343789 1142059763 /nfs/dbraw/zinc/05/97/63/1142059763.db2.gz UAQFELYBUVJODK-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324458632 1142081132 /nfs/dbraw/zinc/08/11/32/1142081132.db2.gz DGPXBPIEJUPGPO-AEFFLSMTSA-N 2 1 319.424 2.011 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC001324504745 1142090690 /nfs/dbraw/zinc/09/06/90/1142090690.db2.gz FACDHLKJQPLVRU-XJKSGUPXSA-N 2 1 304.438 2.039 20 30 DEEDMP C=C[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001252581612 1142770791 /nfs/dbraw/zinc/77/07/91/1142770791.db2.gz IHTHKMRRTADZDR-LJQANCHMSA-N 2 1 318.461 2.229 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690356 1142836120 /nfs/dbraw/zinc/83/61/20/1142836120.db2.gz PSENXSLURHWZTK-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662228 1143303668 /nfs/dbraw/zinc/30/36/68/1143303668.db2.gz DFMLVEPFSYSWKM-FCGDIQPGSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662228 1143303678 /nfs/dbraw/zinc/30/36/78/1143303678.db2.gz DFMLVEPFSYSWKM-FCGDIQPGSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662228 1143303686 /nfs/dbraw/zinc/30/36/86/1143303686.db2.gz DFMLVEPFSYSWKM-FCGDIQPGSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001263880615 1144419603 /nfs/dbraw/zinc/41/96/03/1144419603.db2.gz UMAHSULSPGUCEM-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001265087258 1144640736 /nfs/dbraw/zinc/64/07/36/1144640736.db2.gz XHBOSQBWXLZHBB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001265306048 1144689369 /nfs/dbraw/zinc/68/93/69/1144689369.db2.gz ISTGIHVYJHMEHE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001265330179 1144694693 /nfs/dbraw/zinc/69/46/93/1144694693.db2.gz VIFJDASRIDMTKL-INIZCTEOSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265613549 1144718097 /nfs/dbraw/zinc/71/80/97/1144718097.db2.gz QVKZAKJTIHHJDV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+](CC)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266112361 1144806613 /nfs/dbraw/zinc/80/66/13/1144806613.db2.gz MXJHMXMPOPUMFR-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266112361 1144806615 /nfs/dbraw/zinc/80/66/15/1144806615.db2.gz MXJHMXMPOPUMFR-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266228718 1144816496 /nfs/dbraw/zinc/81/64/96/1144816496.db2.gz MNHDHESBUKIIDW-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001279242725 1144819754 /nfs/dbraw/zinc/81/97/54/1144819754.db2.gz WIARNYRGWLHTJP-CGZBRXJRSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001279280434 1144820129 /nfs/dbraw/zinc/82/01/29/1144820129.db2.gz KKJLRVNLMFIFSE-JUVOFCAFSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001280364990 1144836730 /nfs/dbraw/zinc/83/67/30/1144836730.db2.gz LLPRPXWBDSECQZ-QBPKDAKJSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316610960 1144889957 /nfs/dbraw/zinc/88/99/57/1144889957.db2.gz NFJKHTRIKLODQA-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316610960 1144889958 /nfs/dbraw/zinc/88/99/58/1144889958.db2.gz NFJKHTRIKLODQA-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559631 1144897330 /nfs/dbraw/zinc/89/73/30/1144897330.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559631 1144897331 /nfs/dbraw/zinc/89/73/31/1144897331.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559631 1144897332 /nfs/dbraw/zinc/89/73/32/1144897332.db2.gz XYXCFRFOZFXZCS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001281963956 1144924329 /nfs/dbraw/zinc/92/43/29/1144924329.db2.gz ANEOBEMCBNAWTO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281963956 1144924332 /nfs/dbraw/zinc/92/43/32/1144924332.db2.gz ANEOBEMCBNAWTO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281963956 1144924335 /nfs/dbraw/zinc/92/43/35/1144924335.db2.gz ANEOBEMCBNAWTO-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001316616403 1144927441 /nfs/dbraw/zinc/92/74/41/1144927441.db2.gz MKKDUBXVQWLOGN-SOLBZPMBSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001316617724 1145004051 /nfs/dbraw/zinc/00/40/51/1145004051.db2.gz BEVTZDUKQVQQFY-IYBDPMFKSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001282260153 1145025779 /nfs/dbraw/zinc/02/57/79/1145025779.db2.gz BJIKYGRCANDRCJ-LXPRWKDFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCCC)C1 ZINC001282718004 1145141589 /nfs/dbraw/zinc/14/15/89/1145141589.db2.gz WEINNQMQVQBVTI-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCCC)C1 ZINC001282718004 1145141607 /nfs/dbraw/zinc/14/16/07/1145141607.db2.gz WEINNQMQVQBVTI-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001284720201 1145894836 /nfs/dbraw/zinc/89/48/36/1145894836.db2.gz WLZYZWKUFAGFBJ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316638962 1146117431 /nfs/dbraw/zinc/11/74/31/1146117431.db2.gz CRAMWBZWHLTMSR-SZMVWBNQSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317422673 1147374114 /nfs/dbraw/zinc/37/41/14/1147374114.db2.gz IGTFDLADXOODLX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317422673 1147374118 /nfs/dbraw/zinc/37/41/18/1147374118.db2.gz IGTFDLADXOODLX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317422673 1147374122 /nfs/dbraw/zinc/37/41/22/1147374122.db2.gz IGTFDLADXOODLX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001316923331 1147632207 /nfs/dbraw/zinc/63/22/07/1147632207.db2.gz FNPMNDGLHWNLIR-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001316923331 1147632209 /nfs/dbraw/zinc/63/22/09/1147632209.db2.gz FNPMNDGLHWNLIR-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001316923331 1147632211 /nfs/dbraw/zinc/63/22/11/1147632211.db2.gz FNPMNDGLHWNLIR-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001316923331 1147632213 /nfs/dbraw/zinc/63/22/13/1147632213.db2.gz FNPMNDGLHWNLIR-ZDUSSCGKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317043823 1147651974 /nfs/dbraw/zinc/65/19/74/1147651974.db2.gz KDFRIAUEQURHAZ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317138689 1147665269 /nfs/dbraw/zinc/66/52/69/1147665269.db2.gz VBGBKNFIAMHYEK-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001367274449 1147672596 /nfs/dbraw/zinc/67/25/96/1147672596.db2.gz IYXQODUYEFEXOC-LBPRGKRZSA-N 2 1 312.845 2.101 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001317188411 1147673384 /nfs/dbraw/zinc/67/33/84/1147673384.db2.gz ORZYAFKEFLKFJM-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317204092 1147676149 /nfs/dbraw/zinc/67/61/49/1147676149.db2.gz ATKTUXHJPYFZLA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204092 1147676152 /nfs/dbraw/zinc/67/61/52/1147676152.db2.gz ATKTUXHJPYFZLA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204092 1147676154 /nfs/dbraw/zinc/67/61/54/1147676154.db2.gz ATKTUXHJPYFZLA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317373928 1147698631 /nfs/dbraw/zinc/69/86/31/1147698631.db2.gz AQLSNBQMZXAAJY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317373928 1147698632 /nfs/dbraw/zinc/69/86/32/1147698632.db2.gz AQLSNBQMZXAAJY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317373928 1147698633 /nfs/dbraw/zinc/69/86/33/1147698633.db2.gz AQLSNBQMZXAAJY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317436463 1147708279 /nfs/dbraw/zinc/70/82/79/1147708279.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317436463 1147708280 /nfs/dbraw/zinc/70/82/80/1147708280.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317436463 1147708281 /nfs/dbraw/zinc/70/82/81/1147708281.db2.gz RMJNJFOURLMNKA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001317553558 1147724393 /nfs/dbraw/zinc/72/43/93/1147724393.db2.gz NDRCWQRTCYDBKY-UHFFFAOYSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317781411 1147751620 /nfs/dbraw/zinc/75/16/20/1147751620.db2.gz CSNQSAAAHGUDAD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317781411 1147751622 /nfs/dbraw/zinc/75/16/22/1147751622.db2.gz CSNQSAAAHGUDAD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317781411 1147751624 /nfs/dbraw/zinc/75/16/24/1147751624.db2.gz CSNQSAAAHGUDAD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317786492 1147752383 /nfs/dbraw/zinc/75/23/83/1147752383.db2.gz AJXDZVDCOPZMND-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317786492 1147752385 /nfs/dbraw/zinc/75/23/85/1147752385.db2.gz AJXDZVDCOPZMND-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317786492 1147752386 /nfs/dbraw/zinc/75/23/86/1147752386.db2.gz AJXDZVDCOPZMND-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317854239 1147757826 /nfs/dbraw/zinc/75/78/26/1147757826.db2.gz OFBGEJZQAABPDC-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001318347382 1147814352 /nfs/dbraw/zinc/81/43/52/1147814352.db2.gz YALXPQMBCBHUEE-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001326480882 1148110179 /nfs/dbraw/zinc/11/01/79/1148110179.db2.gz OGCWAQRXMUYPTO-RHSMWYFYSA-N 2 1 301.434 2.234 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277214166 213372639 /nfs/dbraw/zinc/37/26/39/213372639.db2.gz NMTCBGCJMWLXIN-UHFFFAOYSA-N 2 1 318.465 2.358 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277214166 213372641 /nfs/dbraw/zinc/37/26/41/213372641.db2.gz NMTCBGCJMWLXIN-UHFFFAOYSA-N 2 1 318.465 2.358 20 30 DEEDMP N#Cc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161396478 355968652 /nfs/dbraw/zinc/96/86/52/355968652.db2.gz CISXFPYMXZWXOA-UHFFFAOYSA-N 2 1 308.385 2.154 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431991 361599115 /nfs/dbraw/zinc/59/91/15/361599115.db2.gz GNUDBMOZGNYAIO-KRWDZBQOSA-N 2 1 303.454 2.138 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143874 296312881 /nfs/dbraw/zinc/31/28/81/296312881.db2.gz GSQCUWJCJNYSAU-IKGGRYGDSA-N 2 1 320.481 2.121 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143876 296313595 /nfs/dbraw/zinc/31/35/95/296313595.db2.gz GSQCUWJCJNYSAU-ZACQAIPSSA-N 2 1 320.481 2.121 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001327450058 1148557604 /nfs/dbraw/zinc/55/76/04/1148557604.db2.gz WFGVLCZVJIRYMB-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841311 401911519 /nfs/dbraw/zinc/91/15/19/401911519.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841311 401911522 /nfs/dbraw/zinc/91/15/22/401911522.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841311 401911524 /nfs/dbraw/zinc/91/15/24/401911524.db2.gz ZUNVHKHVCXBBMB-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP C=CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121216004 402021027 /nfs/dbraw/zinc/02/10/27/402021027.db2.gz XKUAALUAHMMRTL-INIZCTEOSA-N 2 1 315.461 2.274 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155825 402199823 /nfs/dbraw/zinc/19/98/23/402199823.db2.gz JLDKXLVPXXHUPT-KRWDZBQOSA-N 2 1 318.465 2.489 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000171734956 402616270 /nfs/dbraw/zinc/61/62/70/402616270.db2.gz MDSPQAKWJRPKLF-MRXNPFEDSA-N 2 1 322.497 2.056 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000281872189 403100019 /nfs/dbraw/zinc/10/00/19/403100019.db2.gz WIZJUNZVQVOWMP-UHFFFAOYSA-N 2 1 317.481 2.056 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000269476991 403142401 /nfs/dbraw/zinc/14/24/01/403142401.db2.gz VTGMMZBJAYLDOX-HNNXBMFYSA-N 2 1 306.454 2.313 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125677 403767748 /nfs/dbraw/zinc/76/77/48/403767748.db2.gz ZEGGHTQXQXYZOL-HNNXBMFYSA-N 2 1 315.417 2.249 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125677 403767754 /nfs/dbraw/zinc/76/77/54/403767754.db2.gz ZEGGHTQXQXYZOL-HNNXBMFYSA-N 2 1 315.417 2.249 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362857789 403993760 /nfs/dbraw/zinc/99/37/60/403993760.db2.gz YAANRYIJVJLKPX-KRWDZBQOSA-N 2 1 322.497 2.009 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635531596 406577099 /nfs/dbraw/zinc/57/70/99/406577099.db2.gz USZLRNSEUWSBRQ-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP CN(C)C(=[NH+]C[C@H]1CSCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000263274539 225295891 /nfs/dbraw/zinc/29/58/91/225295891.db2.gz PYTUFQDYXQNMBF-INIZCTEOSA-N 2 1 320.506 2.083 20 30 DEEDMP CN(C)C(=[NH+]C[C@H]1CSCC[N@H+]1Cc1ccccc1)N(C)C ZINC000263274539 225295894 /nfs/dbraw/zinc/29/58/94/225295894.db2.gz PYTUFQDYXQNMBF-INIZCTEOSA-N 2 1 320.506 2.083 20 30 DEEDMP C=CC[C@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669325 425707795 /nfs/dbraw/zinc/70/77/95/425707795.db2.gz PUHJGNUECDUNRI-LJQANCHMSA-N 2 1 315.461 2.323 20 30 DEEDMP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CCC[NH2+]1 ZINC000662702096 425717026 /nfs/dbraw/zinc/71/70/26/425717026.db2.gz WLKHZHDBEMBGTQ-SJLPKXTDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970617 782090773 /nfs/dbraw/zinc/09/07/73/782090773.db2.gz HUVGFFNYELZFNS-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970617 782090778 /nfs/dbraw/zinc/09/07/78/782090778.db2.gz HUVGFFNYELZFNS-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970617 782090789 /nfs/dbraw/zinc/09/07/89/782090789.db2.gz HUVGFFNYELZFNS-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244294 1149078540 /nfs/dbraw/zinc/07/85/40/1149078540.db2.gz KHNITLXFUBNVQQ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244294 1149078548 /nfs/dbraw/zinc/07/85/48/1149078548.db2.gz KHNITLXFUBNVQQ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264119726 526575590 /nfs/dbraw/zinc/57/55/90/526575590.db2.gz UOWHMZCUTQAURT-AWEZNQCLSA-N 2 1 306.479 2.441 20 30 DEEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000237109353 526883995 /nfs/dbraw/zinc/88/39/95/526883995.db2.gz PXJZPCCVWFJRKR-UHFFFAOYSA-N 2 1 304.434 2.452 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291001 527722051 /nfs/dbraw/zinc/72/20/51/527722051.db2.gz PYMJXMTYPRMYED-KRWDZBQOSA-N 2 1 302.466 2.459 20 30 DEEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264082342 527982390 /nfs/dbraw/zinc/98/23/90/527982390.db2.gz HWBYWZDOPIEEPX-OAHLLOKOSA-N 2 1 318.465 2.064 20 30 DEEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264082342 527982396 /nfs/dbraw/zinc/98/23/96/527982396.db2.gz HWBYWZDOPIEEPX-OAHLLOKOSA-N 2 1 318.465 2.064 20 30 DEEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)c1cccc(OC)c1 ZINC000262472252 528269594 /nfs/dbraw/zinc/26/95/94/528269594.db2.gz BJAMXEULOFVQFC-CZUORRHYSA-N 2 1 304.438 2.015 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376885 529100951 /nfs/dbraw/zinc/10/09/51/529100951.db2.gz ADDNGRQMKQSWQS-ZDUSSCGKSA-N 2 1 308.495 2.414 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330538251 1149183349 /nfs/dbraw/zinc/18/33/49/1149183349.db2.gz OFOVDALIASIVTM-KDURUIRLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001382354126 1153432648 /nfs/dbraw/zinc/43/26/48/1153432648.db2.gz ZRSITZOPVFCMJL-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001382354126 1153432655 /nfs/dbraw/zinc/43/26/55/1153432655.db2.gz ZRSITZOPVFCMJL-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001382354126 1153432658 /nfs/dbraw/zinc/43/26/58/1153432658.db2.gz ZRSITZOPVFCMJL-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001382354126 1153432664 /nfs/dbraw/zinc/43/26/64/1153432664.db2.gz ZRSITZOPVFCMJL-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023561421 625325984 /nfs/dbraw/zinc/32/59/84/625325984.db2.gz ZYEWNNQQGBKJHR-HNNXBMFYSA-N 2 1 319.449 2.359 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023650964 625373169 /nfs/dbraw/zinc/37/31/69/625373169.db2.gz HHLYYHRQXWNDBE-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008280150 625420222 /nfs/dbraw/zinc/42/02/22/625420222.db2.gz RURVPSANTWIUCT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008280150 625420224 /nfs/dbraw/zinc/42/02/24/625420224.db2.gz RURVPSANTWIUCT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008280150 625420226 /nfs/dbraw/zinc/42/02/26/625420226.db2.gz RURVPSANTWIUCT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470509 625465536 /nfs/dbraw/zinc/46/55/36/625465536.db2.gz YKINQCMEEIICOZ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514403 625493550 /nfs/dbraw/zinc/49/35/50/625493550.db2.gz AZXJQAMPGWLZSZ-CABCVRRESA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836358 622941386 /nfs/dbraw/zinc/94/13/86/622941386.db2.gz LYYWDZUFYJWSJM-QAPCUYQASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)CN1CC([C@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC000970065102 623088620 /nfs/dbraw/zinc/08/86/20/623088620.db2.gz QLXIBDSYTILXEX-LBPRGKRZSA-N 2 1 318.808 2.137 20 30 DEEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719262 623640156 /nfs/dbraw/zinc/64/01/56/623640156.db2.gz PGTXXMUDXQKVBJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024811850 625064726 /nfs/dbraw/zinc/06/47/26/625064726.db2.gz BZGURQPXVGDCTN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023411008 625257902 /nfs/dbraw/zinc/25/79/02/625257902.db2.gz YUUUYGWVYVLPAF-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411008 625257908 /nfs/dbraw/zinc/25/79/08/625257908.db2.gz YUUUYGWVYVLPAF-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411008 625257913 /nfs/dbraw/zinc/25/79/13/625257913.db2.gz YUUUYGWVYVLPAF-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007495107 625269697 /nfs/dbraw/zinc/26/96/97/625269697.db2.gz IMHMQWQPSBUWTL-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495107 625269702 /nfs/dbraw/zinc/26/97/02/625269702.db2.gz IMHMQWQPSBUWTL-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495107 625269708 /nfs/dbraw/zinc/26/97/08/625269708.db2.gz IMHMQWQPSBUWTL-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C[NH+]1C[C@@]2(C)C[NH+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931314205 625738264 /nfs/dbraw/zinc/73/82/64/625738264.db2.gz KCPRRPOJRRZREG-IRXDYDNUSA-N 2 1 305.466 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468095 625794655 /nfs/dbraw/zinc/79/46/55/625794655.db2.gz IFPGOLUJEMSDPP-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503295 625820822 /nfs/dbraw/zinc/82/08/22/625820822.db2.gz ZJRGIUIHDWVENR-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999036306 634464973 /nfs/dbraw/zinc/46/49/73/634464973.db2.gz SEHUWJGQIIWCMI-OFLPRAFFSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373499 634569569 /nfs/dbraw/zinc/56/95/69/634569569.db2.gz QJCJHHOVDPCBHA-ZIAGYGMSSA-N 2 1 322.840 2.094 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999350870 634569871 /nfs/dbraw/zinc/56/98/71/634569871.db2.gz BYCJKUSOHZAPJS-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670152 633215675 /nfs/dbraw/zinc/21/56/75/633215675.db2.gz GVXZSWXDOSYMKX-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670152 633215679 /nfs/dbraw/zinc/21/56/79/633215679.db2.gz GVXZSWXDOSYMKX-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686910 633236254 /nfs/dbraw/zinc/23/62/54/633236254.db2.gz ZBTPJQAAMAQXMC-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996526186 633275048 /nfs/dbraw/zinc/27/50/48/633275048.db2.gz ZFJWHSVXTHSFMA-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865812 633340690 /nfs/dbraw/zinc/34/06/90/633340690.db2.gz VQJBYTOXFKBOQM-SJORKVTESA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214451 633881036 /nfs/dbraw/zinc/88/10/36/633881036.db2.gz DLTKTHFPGOWULY-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214451 633881042 /nfs/dbraw/zinc/88/10/42/633881042.db2.gz DLTKTHFPGOWULY-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977452191 633991287 /nfs/dbraw/zinc/99/12/87/633991287.db2.gz QZNHZOJDYGRGRB-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977452191 633991289 /nfs/dbraw/zinc/99/12/89/633991289.db2.gz QZNHZOJDYGRGRB-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452191 633991294 /nfs/dbraw/zinc/99/12/94/633991294.db2.gz QZNHZOJDYGRGRB-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452191 633991298 /nfs/dbraw/zinc/99/12/98/633991298.db2.gz QZNHZOJDYGRGRB-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3nccn32)CC1 ZINC000998064383 634128758 /nfs/dbraw/zinc/12/87/58/634128758.db2.gz RXCOBTHRJZFVJS-MRXNPFEDSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836918863 650146034 /nfs/dbraw/zinc/14/60/34/650146034.db2.gz BXEAMWYPVOZZPD-INIZCTEOSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614846 634292413 /nfs/dbraw/zinc/29/24/13/634292413.db2.gz GPAZLOABJKGZOS-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980187068 634884141 /nfs/dbraw/zinc/88/41/41/634884141.db2.gz QFPFZLQERNPOEY-RCCFBDPRSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980189466 634885474 /nfs/dbraw/zinc/88/54/74/634885474.db2.gz WVSLRGGTQBJKCL-OKZBNKHCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001027919014 634966456 /nfs/dbraw/zinc/96/64/56/634966456.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919014 634966466 /nfs/dbraw/zinc/96/64/66/634966466.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001027919014 634966470 /nfs/dbraw/zinc/96/64/70/634966470.db2.gz SFAOGQAXQRMTOR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027920362 634967065 /nfs/dbraw/zinc/96/70/65/634967065.db2.gz HYGWZTIPVJUREH-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980472658 635013701 /nfs/dbraw/zinc/01/37/01/635013701.db2.gz VZIOHOZKVGPARH-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000882425 635329238 /nfs/dbraw/zinc/32/92/38/635329238.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000882425 635329242 /nfs/dbraw/zinc/32/92/42/635329242.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000882425 635329251 /nfs/dbraw/zinc/32/92/51/635329251.db2.gz BDUYGGCHQBPSCR-KRWDZBQOSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153415 635335055 /nfs/dbraw/zinc/33/50/55/635335055.db2.gz ZRYVJMVLFMCRIY-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153415 635335058 /nfs/dbraw/zinc/33/50/58/635335058.db2.gz ZRYVJMVLFMCRIY-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153415 635335063 /nfs/dbraw/zinc/33/50/63/635335063.db2.gz ZRYVJMVLFMCRIY-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001351061 635471423 /nfs/dbraw/zinc/47/14/23/635471423.db2.gz RFHAJONLMAVDAX-UHFFFAOYSA-N 2 1 317.477 2.043 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028104771 635542807 /nfs/dbraw/zinc/54/28/07/635542807.db2.gz LPMDXQDYTVDDRG-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028104771 635542810 /nfs/dbraw/zinc/54/28/10/635542810.db2.gz LPMDXQDYTVDDRG-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841421 635683128 /nfs/dbraw/zinc/68/31/28/635683128.db2.gz BZAWXNOSCFCHMR-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981841421 635683131 /nfs/dbraw/zinc/68/31/31/635683131.db2.gz BZAWXNOSCFCHMR-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846751 635686690 /nfs/dbraw/zinc/68/66/90/635686690.db2.gz MRTUWRBBWYBEDF-UHFFFAOYSA-N 2 1 310.401 2.287 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152088 635891126 /nfs/dbraw/zinc/89/11/26/635891126.db2.gz RKJREYSKJFPTNI-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292613 635950995 /nfs/dbraw/zinc/95/09/95/635950995.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292613 635950997 /nfs/dbraw/zinc/95/09/97/635950997.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292613 635950998 /nfs/dbraw/zinc/95/09/98/635950998.db2.gz QOLVKQFIMDTGCI-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003481997 635978172 /nfs/dbraw/zinc/97/81/72/635978172.db2.gz PQJPDYKGORDPNR-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647447 636544560 /nfs/dbraw/zinc/54/45/60/636544560.db2.gz IGQQAMNVSLVVLB-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647447 636544562 /nfs/dbraw/zinc/54/45/62/636544562.db2.gz IGQQAMNVSLVVLB-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647447 636544564 /nfs/dbraw/zinc/54/45/64/636544564.db2.gz IGQQAMNVSLVVLB-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692055 636630600 /nfs/dbraw/zinc/63/06/00/636630600.db2.gz AKZYPXUXPLYLIJ-ZDUSSCGKSA-N 2 1 318.808 2.139 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692055 636630602 /nfs/dbraw/zinc/63/06/02/636630602.db2.gz AKZYPXUXPLYLIJ-ZDUSSCGKSA-N 2 1 318.808 2.139 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496111 636751398 /nfs/dbraw/zinc/75/13/98/636751398.db2.gz GGJWVQSASICJSR-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005872305 636920591 /nfs/dbraw/zinc/92/05/91/636920591.db2.gz VGGYOINIQPEPDK-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005999140 637064428 /nfs/dbraw/zinc/06/44/28/637064428.db2.gz YLPZHLFXQANOEO-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC000895672079 638143689 /nfs/dbraw/zinc/14/36/89/638143689.db2.gz VYZOLFYJMWHSDH-HKUYNNGSSA-N 2 1 319.493 2.287 20 30 DEEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411834 640540253 /nfs/dbraw/zinc/54/02/53/640540253.db2.gz CGFASUZQPZSCLY-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411834 640540257 /nfs/dbraw/zinc/54/02/57/640540257.db2.gz CGFASUZQPZSCLY-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411834 640540263 /nfs/dbraw/zinc/54/02/63/640540263.db2.gz CGFASUZQPZSCLY-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411834 640540270 /nfs/dbraw/zinc/54/02/70/640540270.db2.gz CGFASUZQPZSCLY-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739025 641216878 /nfs/dbraw/zinc/21/68/78/641216878.db2.gz LNYJUDFSRJEVBB-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739025 641216885 /nfs/dbraw/zinc/21/68/85/641216885.db2.gz LNYJUDFSRJEVBB-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000900065521 642254717 /nfs/dbraw/zinc/25/47/17/642254717.db2.gz KTULMAYMTFCGGY-KRWDZBQOSA-N 2 1 301.434 2.010 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000900065521 642254718 /nfs/dbraw/zinc/25/47/18/642254718.db2.gz KTULMAYMTFCGGY-KRWDZBQOSA-N 2 1 301.434 2.010 20 30 DEEDMP C#Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000900339437 642326014 /nfs/dbraw/zinc/32/60/14/642326014.db2.gz ORTLQEMWPYMJGA-UHFFFAOYSA-N 2 1 320.396 2.067 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000783292318 642993117 /nfs/dbraw/zinc/99/31/17/642993117.db2.gz AEIAYLXPEPLDDS-KXBFYZLASA-N 2 1 321.428 2.348 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCc1ccc(C#N)cn1 ZINC000783292318 642993125 /nfs/dbraw/zinc/99/31/25/642993125.db2.gz AEIAYLXPEPLDDS-KXBFYZLASA-N 2 1 321.428 2.348 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621700 /nfs/dbraw/zinc/62/17/00/643621700.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621704 /nfs/dbraw/zinc/62/17/04/643621704.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991044986 643621708 /nfs/dbraw/zinc/62/17/08/643621708.db2.gz SENJBIKSXWOVBZ-ZIFCJYIRSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905097655 643799887 /nfs/dbraw/zinc/79/98/87/643799887.db2.gz PCXQLAWZEQPHPO-MOPGFXCFSA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991857675 646671130 /nfs/dbraw/zinc/67/11/30/646671130.db2.gz DUGJISTVIWIVMZ-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991857675 646671132 /nfs/dbraw/zinc/67/11/32/646671132.db2.gz DUGJISTVIWIVMZ-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991858806 646671515 /nfs/dbraw/zinc/67/15/15/646671515.db2.gz HLCXMXOVENSFOW-WMZOPIPTSA-N 2 1 310.401 2.247 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991866045 646676067 /nfs/dbraw/zinc/67/60/67/646676067.db2.gz ZFXPDDWQTOUYDE-HKUYNNGSSA-N 2 1 322.412 2.084 20 30 DEEDMP C[C@@H]1C(=NN2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000814685754 646920938 /nfs/dbraw/zinc/92/09/38/646920938.db2.gz PAFCOVORRLMUNH-MRXNPFEDSA-N 2 1 300.450 2.274 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992288784 646930672 /nfs/dbraw/zinc/93/06/72/646930672.db2.gz SNECTZFVZKUSHO-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992435935 647001516 /nfs/dbraw/zinc/00/15/16/647001516.db2.gz VQXUYPLWZHCRBC-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435935 647001518 /nfs/dbraw/zinc/00/15/18/647001518.db2.gz VQXUYPLWZHCRBC-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435935 647001519 /nfs/dbraw/zinc/00/15/19/647001519.db2.gz VQXUYPLWZHCRBC-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481734 647684181 /nfs/dbraw/zinc/68/41/81/647684181.db2.gz SGOOCACYGKVEQE-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993681361 647724797 /nfs/dbraw/zinc/72/47/97/647724797.db2.gz GVCLJJRJYOFWAM-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994134666 647791974 /nfs/dbraw/zinc/79/19/74/647791974.db2.gz PORDLELOVZQWKD-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940104 /nfs/dbraw/zinc/94/01/04/648940104.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940107 /nfs/dbraw/zinc/94/01/07/648940107.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940754354 648940109 /nfs/dbraw/zinc/94/01/09/648940109.db2.gz WUCGNKNNBCSZMU-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785583 648941047 /nfs/dbraw/zinc/94/10/47/648941047.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785583 648941049 /nfs/dbraw/zinc/94/10/49/648941049.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785583 648941051 /nfs/dbraw/zinc/94/10/51/648941051.db2.gz OIHWHURKPBQCJT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863649 648957726 /nfs/dbraw/zinc/95/77/26/648957726.db2.gz FREQQDRJJRVJOR-OAHLLOKOSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000940853240 648959592 /nfs/dbraw/zinc/95/95/92/648959592.db2.gz OTPKETFULQWLIS-QGZVFWFLSA-N 2 1 324.428 2.106 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076267 648995520 /nfs/dbraw/zinc/99/55/20/648995520.db2.gz VBLJMIMLYCHWKQ-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000848551103 651469791 /nfs/dbraw/zinc/46/97/91/651469791.db2.gz DCHHFYZYPAVWHV-GOSISDBHSA-N 2 1 314.429 2.395 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000848551103 651469792 /nfs/dbraw/zinc/46/97/92/651469792.db2.gz DCHHFYZYPAVWHV-GOSISDBHSA-N 2 1 314.429 2.395 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858329505 652308306 /nfs/dbraw/zinc/30/83/06/652308306.db2.gz GMXHMHPWRFQLFP-UHFFFAOYSA-N 2 1 322.412 2.158 20 30 DEEDMP CCc1ccc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000304761771 685259965 /nfs/dbraw/zinc/25/99/65/685259965.db2.gz UVPONBBVIRIRQG-KRWDZBQOSA-N 2 1 302.466 2.180 20 30 DEEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)o1 ZINC000104191390 684059205 /nfs/dbraw/zinc/05/92/05/684059205.db2.gz SSHPROUKGGBXGA-CQSZACIVSA-N 2 1 322.478 2.088 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000156278829 684287744 /nfs/dbraw/zinc/28/77/44/684287744.db2.gz WMZUVNAAPJNIOX-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129741 693856249 /nfs/dbraw/zinc/85/62/49/693856249.db2.gz YOYJDFGCNZLUNY-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129741 693856250 /nfs/dbraw/zinc/85/62/50/693856250.db2.gz YOYJDFGCNZLUNY-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129741 693856255 /nfs/dbraw/zinc/85/62/55/693856255.db2.gz YOYJDFGCNZLUNY-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164785 693868809 /nfs/dbraw/zinc/86/88/09/693868809.db2.gz RWXSLBJXGJQIKS-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164785 693868811 /nfs/dbraw/zinc/86/88/11/693868811.db2.gz RWXSLBJXGJQIKS-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199387 693878471 /nfs/dbraw/zinc/87/84/71/693878471.db2.gz VOUWVMYPWWNNCE-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197883 693879726 /nfs/dbraw/zinc/87/97/26/693879726.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197883 693879731 /nfs/dbraw/zinc/87/97/31/693879731.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197883 693879735 /nfs/dbraw/zinc/87/97/35/693879735.db2.gz KVMVPRJCVKDBAY-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245496 693898755 /nfs/dbraw/zinc/89/87/55/693898755.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245496 693898759 /nfs/dbraw/zinc/89/87/59/693898759.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245496 693898768 /nfs/dbraw/zinc/89/87/68/693898768.db2.gz UFFCCLLPDIAFFI-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902535 685138620 /nfs/dbraw/zinc/13/86/20/685138620.db2.gz FQXSVJMCSVTBGB-HZPDHXFCSA-N 2 1 300.450 2.105 20 30 DEEDMP CCO[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000253355007 685195942 /nfs/dbraw/zinc/19/59/42/685195942.db2.gz AEJNCCZMWSKMGO-IAGOWNOFSA-N 2 1 318.465 2.153 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772972 685233368 /nfs/dbraw/zinc/23/33/68/685233368.db2.gz DYOMAYNAKYMHDX-CQSZACIVSA-N 2 1 324.856 2.107 20 30 DEEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+]1CC ZINC000303870846 685236376 /nfs/dbraw/zinc/23/63/76/685236376.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303870846 685236381 /nfs/dbraw/zinc/23/63/81/685236381.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303870846 685236385 /nfs/dbraw/zinc/23/63/85/685236385.db2.gz FOYYYELWTLEJSP-IAGOWNOFSA-N 3 1 323.529 2.030 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000303896708 685238670 /nfs/dbraw/zinc/23/86/70/685238670.db2.gz USWMZJHZPAYRGA-ZDUSSCGKSA-N 2 1 320.437 2.162 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906336 685240122 /nfs/dbraw/zinc/24/01/22/685240122.db2.gz ZWLMZPAOFFHUEO-HNNXBMFYSA-N 2 1 300.450 2.234 20 30 DEEDMP C[C@@H](CNC(=[NH2+])N1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906336 685240127 /nfs/dbraw/zinc/24/01/27/685240127.db2.gz ZWLMZPAOFFHUEO-HNNXBMFYSA-N 2 1 300.450 2.234 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(C(C)C)n1 ZINC000303983044 685242152 /nfs/dbraw/zinc/24/21/52/685242152.db2.gz QVKPGNFENZTTEI-AWEZNQCLSA-N 2 1 323.510 2.198 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820897 687709828 /nfs/dbraw/zinc/70/98/28/687709828.db2.gz WHSAVEPGPOIVKC-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987649 687750623 /nfs/dbraw/zinc/75/06/23/687750623.db2.gz YFESGQZNOQDYSQ-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001017942188 688006848 /nfs/dbraw/zinc/00/68/48/688006848.db2.gz OCRWQLQHCIGYDT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001017942188 688006854 /nfs/dbraw/zinc/00/68/54/688006854.db2.gz OCRWQLQHCIGYDT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001017942188 688006860 /nfs/dbraw/zinc/00/68/60/688006860.db2.gz OCRWQLQHCIGYDT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1cnc[nH]1 ZINC001018179162 688072261 /nfs/dbraw/zinc/07/22/61/688072261.db2.gz DESZEWDXOUILNO-GASCZTMLSA-N 2 1 316.449 2.329 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310878 688106982 /nfs/dbraw/zinc/10/69/82/688106982.db2.gz TXFGDEFNYRBMFC-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310878 688106987 /nfs/dbraw/zinc/10/69/87/688106987.db2.gz TXFGDEFNYRBMFC-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001018968176 688263833 /nfs/dbraw/zinc/26/38/33/688263833.db2.gz XAAVJPPEFCHBCH-GJZGRUSLSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921907 689021417 /nfs/dbraw/zinc/02/14/17/689021417.db2.gz MQXPHDLGKXHTHR-GOSISDBHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033147082 689404691 /nfs/dbraw/zinc/40/46/91/689404691.db2.gz SAIYRIAQFPWYAE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033147082 689404693 /nfs/dbraw/zinc/40/46/93/689404693.db2.gz SAIYRIAQFPWYAE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033147082 689404696 /nfs/dbraw/zinc/40/46/96/689404696.db2.gz SAIYRIAQFPWYAE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855062 689639735 /nfs/dbraw/zinc/63/97/35/689639735.db2.gz GNMJLZKCFNNXRU-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855062 689639739 /nfs/dbraw/zinc/63/97/39/689639739.db2.gz GNMJLZKCFNNXRU-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855062 689639741 /nfs/dbraw/zinc/63/97/41/689639741.db2.gz GNMJLZKCFNNXRU-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213415 689765745 /nfs/dbraw/zinc/76/57/45/689765745.db2.gz XVPUEPASLBWHFT-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340030 689814394 /nfs/dbraw/zinc/81/43/94/689814394.db2.gz LJABUFZVOLLYAO-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034493545 689872898 /nfs/dbraw/zinc/87/28/98/689872898.db2.gz UXQPICDCSOOWNP-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034493545 689872900 /nfs/dbraw/zinc/87/29/00/689872900.db2.gz UXQPICDCSOOWNP-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034493545 689872904 /nfs/dbraw/zinc/87/29/04/689872904.db2.gz UXQPICDCSOOWNP-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034493545 689872906 /nfs/dbraw/zinc/87/29/06/689872906.db2.gz UXQPICDCSOOWNP-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000876740349 689922751 /nfs/dbraw/zinc/92/27/51/689922751.db2.gz LTCQWBBZOOHOKU-UONOGXRCSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530636 689887498 /nfs/dbraw/zinc/88/74/98/689887498.db2.gz ZDMDPNBONXSTED-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530636 689887503 /nfs/dbraw/zinc/88/75/03/689887503.db2.gz ZDMDPNBONXSTED-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000876735233 689920498 /nfs/dbraw/zinc/92/04/98/689920498.db2.gz BZLIZZYKCAYZQX-BPUTZDHNSA-N 2 1 321.852 2.408 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260550 690076972 /nfs/dbraw/zinc/07/69/72/690076972.db2.gz ZKULPGWYQNZURT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035260550 690076975 /nfs/dbraw/zinc/07/69/75/690076975.db2.gz ZKULPGWYQNZURT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810697 690183076 /nfs/dbraw/zinc/18/30/76/690183076.db2.gz PUTBKAFRPSTECF-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759880 690462400 /nfs/dbraw/zinc/46/24/00/690462400.db2.gz RWYNTHGSHVLCTQ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763022 690463447 /nfs/dbraw/zinc/46/34/47/690463447.db2.gz UIMCAQHSZTYEJR-WMZOPIPTSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250098 690758510 /nfs/dbraw/zinc/75/85/10/690758510.db2.gz YKBBFDAFJSNNSS-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250098 690758514 /nfs/dbraw/zinc/75/85/14/690758514.db2.gz YKBBFDAFJSNNSS-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250098 690758516 /nfs/dbraw/zinc/75/85/16/690758516.db2.gz YKBBFDAFJSNNSS-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022835 690783507 /nfs/dbraw/zinc/78/35/07/690783507.db2.gz ZLBFMPAVYVLJKA-IPMKNSEASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022835 690783511 /nfs/dbraw/zinc/78/35/11/690783511.db2.gz ZLBFMPAVYVLJKA-IPMKNSEASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022835 690783513 /nfs/dbraw/zinc/78/35/13/690783513.db2.gz ZLBFMPAVYVLJKA-IPMKNSEASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022835 690783516 /nfs/dbraw/zinc/78/35/16/690783516.db2.gz ZLBFMPAVYVLJKA-IPMKNSEASA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116968 691023800 /nfs/dbraw/zinc/02/38/00/691023800.db2.gz UWCCTKSKPBMUAS-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116968 691023803 /nfs/dbraw/zinc/02/38/03/691023803.db2.gz UWCCTKSKPBMUAS-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039216246 691057475 /nfs/dbraw/zinc/05/74/75/691057475.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216246 691057479 /nfs/dbraw/zinc/05/74/79/691057479.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039216246 691057482 /nfs/dbraw/zinc/05/74/82/691057482.db2.gz ZATXDFKPFSPTJO-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242781 691066210 /nfs/dbraw/zinc/06/62/10/691066210.db2.gz RDDQMVANGMUJOK-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399470 691097391 /nfs/dbraw/zinc/09/73/91/691097391.db2.gz AUJKYOBICJRGAN-SJORKVTESA-N 2 1 317.477 2.256 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000931546301 694424681 /nfs/dbraw/zinc/42/46/81/694424681.db2.gz KPSWPDLYMYMTBW-WMZOPIPTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000931546301 694424684 /nfs/dbraw/zinc/42/46/84/694424684.db2.gz KPSWPDLYMYMTBW-WMZOPIPTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000931546301 694424687 /nfs/dbraw/zinc/42/46/87/694424687.db2.gz KPSWPDLYMYMTBW-WMZOPIPTSA-N 2 1 311.429 2.023 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000931546301 694424690 /nfs/dbraw/zinc/42/46/90/694424690.db2.gz KPSWPDLYMYMTBW-WMZOPIPTSA-N 2 1 311.429 2.023 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241562 691219358 /nfs/dbraw/zinc/21/93/58/691219358.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241562 691219361 /nfs/dbraw/zinc/21/93/61/691219361.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241562 691219362 /nfs/dbraw/zinc/21/93/62/691219362.db2.gz PDKHARCWYJAAFW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040493263 691256056 /nfs/dbraw/zinc/25/60/56/691256056.db2.gz JFISKPRXGXGSCG-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040493263 691256060 /nfs/dbraw/zinc/25/60/60/691256060.db2.gz JFISKPRXGXGSCG-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040493263 691256062 /nfs/dbraw/zinc/25/60/62/691256062.db2.gz JFISKPRXGXGSCG-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641118 691275855 /nfs/dbraw/zinc/27/58/55/691275855.db2.gz KFYUJRNGIGAVKK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746749 691284681 /nfs/dbraw/zinc/28/46/81/691284681.db2.gz GZJYLMYSLUMSJE-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285375 691355105 /nfs/dbraw/zinc/35/51/05/691355105.db2.gz DQEIVFVSIHYWER-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041374298 691369146 /nfs/dbraw/zinc/36/91/46/691369146.db2.gz DOAAOCHQKFOLLO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041374298 691369149 /nfs/dbraw/zinc/36/91/49/691369149.db2.gz DOAAOCHQKFOLLO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041374298 691369152 /nfs/dbraw/zinc/36/91/52/691369152.db2.gz DOAAOCHQKFOLLO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446492 691376811 /nfs/dbraw/zinc/37/68/11/691376811.db2.gz SYUHVYNAWKSRPN-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845720 691444154 /nfs/dbraw/zinc/44/41/54/691444154.db2.gz OSICJIRNLLDNEF-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883186103 691452374 /nfs/dbraw/zinc/45/23/74/691452374.db2.gz LJMNOKUKGGOHLA-RTBURBONSA-N 2 1 323.525 2.363 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233037 691542378 /nfs/dbraw/zinc/54/23/78/691542378.db2.gz BXMUSFJHTDJCRD-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233037 691542383 /nfs/dbraw/zinc/54/23/83/691542383.db2.gz BXMUSFJHTDJCRD-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233037 691542388 /nfs/dbraw/zinc/54/23/88/691542388.db2.gz BXMUSFJHTDJCRD-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252548 691548658 /nfs/dbraw/zinc/54/86/58/691548658.db2.gz KIURLSVLQQFRJP-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252548 691548660 /nfs/dbraw/zinc/54/86/60/691548660.db2.gz KIURLSVLQQFRJP-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001042922921 691660866 /nfs/dbraw/zinc/66/08/66/691660866.db2.gz HHMUOTLZZFEDHZ-QGZVFWFLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001042922921 691660867 /nfs/dbraw/zinc/66/08/67/691660867.db2.gz HHMUOTLZZFEDHZ-QGZVFWFLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045462030 691984634 /nfs/dbraw/zinc/98/46/34/691984634.db2.gz WPWKPZAEJREYSM-HNNXBMFYSA-N 2 1 316.449 2.307 20 30 DEEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021555 691985685 /nfs/dbraw/zinc/98/56/85/691985685.db2.gz YUUZCYPBUMFQBD-DLBZAZTESA-N 2 1 305.466 2.239 20 30 DEEDMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)CC1 ZINC000886186282 692020445 /nfs/dbraw/zinc/02/04/45/692020445.db2.gz UMXPEOGDBMLQFT-INIZCTEOSA-N 2 1 305.466 2.239 20 30 DEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947244 692059850 /nfs/dbraw/zinc/05/98/50/692059850.db2.gz JPLWJWJRAIPCDA-MJGOQNOKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706756 692268375 /nfs/dbraw/zinc/26/83/75/692268375.db2.gz LBOYHUJBPDHRSD-SFHVURJKSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048862501 692712059 /nfs/dbraw/zinc/71/20/59/692712059.db2.gz WRMHAQUYVBRMBL-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862501 692712062 /nfs/dbraw/zinc/71/20/62/692712062.db2.gz WRMHAQUYVBRMBL-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862501 692712063 /nfs/dbraw/zinc/71/20/63/692712063.db2.gz WRMHAQUYVBRMBL-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615454 692940760 /nfs/dbraw/zinc/94/07/60/692940760.db2.gz KCSJPADCBROVDI-KZNAEPCWSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664653 693227469 /nfs/dbraw/zinc/22/74/69/693227469.db2.gz PJAMVQCFOHAGPQ-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757414 693613168 /nfs/dbraw/zinc/61/31/68/693613168.db2.gz LKWVZJYMYWYDMR-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757414 693613170 /nfs/dbraw/zinc/61/31/70/693613170.db2.gz LKWVZJYMYWYDMR-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001380096053 1152749604 /nfs/dbraw/zinc/74/96/04/1152749604.db2.gz ORVRBOHGNWWFAD-CYBMUJFWSA-N 2 1 303.878 2.200 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291151 1153317055 /nfs/dbraw/zinc/31/70/55/1153317055.db2.gz XPMHVOUKKLBGCW-BEFAXECRSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001389329296 1155311359 /nfs/dbraw/zinc/31/13/59/1155311359.db2.gz VVRXFGQHDRZYIN-LSDHHAIUSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001393761280 1157959298 /nfs/dbraw/zinc/95/92/98/1157959298.db2.gz QWUNTUXOTYNZML-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001393761280 1157959309 /nfs/dbraw/zinc/95/93/09/1157959309.db2.gz QWUNTUXOTYNZML-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001393761280 1157959316 /nfs/dbraw/zinc/95/93/16/1157959316.db2.gz QWUNTUXOTYNZML-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001393761280 1157959325 /nfs/dbraw/zinc/95/93/25/1157959325.db2.gz QWUNTUXOTYNZML-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001375767175 1158866188 /nfs/dbraw/zinc/86/61/88/1158866188.db2.gz WXXUZCFDVKKFMJ-KKUMJFAQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001376259307 1159299372 /nfs/dbraw/zinc/29/93/72/1159299372.db2.gz UCGKDRIVALFFTK-AWEZNQCLSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376290015 1159317572 /nfs/dbraw/zinc/31/75/72/1159317572.db2.gz GSJCHQMJPNSUAP-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001376290015 1159317581 /nfs/dbraw/zinc/31/75/81/1159317581.db2.gz GSJCHQMJPNSUAP-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001376290015 1159317589 /nfs/dbraw/zinc/31/75/89/1159317589.db2.gz GSJCHQMJPNSUAP-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376549219 1159529761 /nfs/dbraw/zinc/52/97/61/1159529761.db2.gz SSVSEALGPYAPOD-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401279423 1161914180 /nfs/dbraw/zinc/91/41/80/1161914180.db2.gz DLEUVSZQJOZSAH-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402008695 1162214965 /nfs/dbraw/zinc/21/49/65/1162214965.db2.gz BTJFFDDNARIZRS-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402008695 1162214970 /nfs/dbraw/zinc/21/49/70/1162214970.db2.gz BTJFFDDNARIZRS-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001402008695 1162214972 /nfs/dbraw/zinc/21/49/72/1162214972.db2.gz BTJFFDDNARIZRS-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001402008695 1162214975 /nfs/dbraw/zinc/21/49/75/1162214975.db2.gz BTJFFDDNARIZRS-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001420811682 1171191221 /nfs/dbraw/zinc/19/12/21/1171191221.db2.gz ZOIUUZWNUHJHHL-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001424314302 1173756229 /nfs/dbraw/zinc/75/62/29/1173756229.db2.gz VAYQNVDLKIABEG-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001424314302 1173756233 /nfs/dbraw/zinc/75/62/33/1173756233.db2.gz VAYQNVDLKIABEG-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001424314302 1173756236 /nfs/dbraw/zinc/75/62/36/1173756236.db2.gz VAYQNVDLKIABEG-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001424314302 1173756239 /nfs/dbraw/zinc/75/62/39/1173756239.db2.gz VAYQNVDLKIABEG-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458266 1178587259 /nfs/dbraw/zinc/58/72/59/1178587259.db2.gz XPXOSLRMIHYJSK-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458266 1178587278 /nfs/dbraw/zinc/58/72/78/1178587278.db2.gz XPXOSLRMIHYJSK-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458266 1178587290 /nfs/dbraw/zinc/58/72/90/1178587290.db2.gz XPXOSLRMIHYJSK-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458266 1178587311 /nfs/dbraw/zinc/58/73/11/1178587311.db2.gz XPXOSLRMIHYJSK-MJGOQNOKSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001438832176 1180824999 /nfs/dbraw/zinc/82/49/99/1180824999.db2.gz XHYREKQATNHPKX-AWEZNQCLSA-N 2 1 317.905 2.447 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001447541169 1184805329 /nfs/dbraw/zinc/80/53/29/1184805329.db2.gz OMEKBESDRLRYHT-SWLSCSKDSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)CCc2cnc[nH]2)C1 ZINC001333076266 1149987185 /nfs/dbraw/zinc/98/71/85/1149987185.db2.gz WKCOBWSHWBANRR-JEYLPNPQSA-N 2 1 304.438 2.276 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571025 782791380 /nfs/dbraw/zinc/79/13/80/782791380.db2.gz KHNSZXBRZUDQKV-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106667873 782843208 /nfs/dbraw/zinc/84/32/08/782843208.db2.gz AKVPXNRMORQKGP-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668151 782843343 /nfs/dbraw/zinc/84/33/43/782843343.db2.gz FJIWZONRDVZPDJ-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089443172 783111569 /nfs/dbraw/zinc/11/15/69/783111569.db2.gz YQPPILMBWADKJO-MRXNPFEDSA-N 2 1 324.428 2.188 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783158980 /nfs/dbraw/zinc/15/89/80/783158980.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783158987 /nfs/dbraw/zinc/15/89/87/783158987.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493211 783158993 /nfs/dbraw/zinc/15/89/93/783158993.db2.gz UVRFGJOUWAPGNC-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560235 783208633 /nfs/dbraw/zinc/20/86/33/783208633.db2.gz XFJIGDKXAZXHRM-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560235 783208639 /nfs/dbraw/zinc/20/86/39/783208639.db2.gz XFJIGDKXAZXHRM-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560235 783208640 /nfs/dbraw/zinc/20/86/40/783208640.db2.gz XFJIGDKXAZXHRM-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301605 777753128 /nfs/dbraw/zinc/75/31/28/777753128.db2.gz FRUTUBRDSRFMKB-ZACQAIPSSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161239547 778792679 /nfs/dbraw/zinc/79/26/79/778792679.db2.gz IXWBVGAZIKUCKQ-KRWDZBQOSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1CC ZINC001087625511 779384043 /nfs/dbraw/zinc/38/40/43/779384043.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625511 779384051 /nfs/dbraw/zinc/38/40/51/779384051.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625511 779384061 /nfs/dbraw/zinc/38/40/61/779384061.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001087625511 779384066 /nfs/dbraw/zinc/38/40/66/779384066.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625511 779384071 /nfs/dbraw/zinc/38/40/71/779384071.db2.gz KRPYTLYUELTZGE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726802 779426208 /nfs/dbraw/zinc/42/62/08/779426208.db2.gz SRHGKHLITFVPQM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726802 779426212 /nfs/dbraw/zinc/42/62/12/779426212.db2.gz SRHGKHLITFVPQM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726802 779426215 /nfs/dbraw/zinc/42/62/15/779426215.db2.gz SRHGKHLITFVPQM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993503 779621698 /nfs/dbraw/zinc/62/16/98/779621698.db2.gz QJUGPRJNJIKRRC-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993503 779621702 /nfs/dbraw/zinc/62/17/02/779621702.db2.gz QJUGPRJNJIKRRC-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993503 779621709 /nfs/dbraw/zinc/62/17/09/779621709.db2.gz QJUGPRJNJIKRRC-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001088000254 779624691 /nfs/dbraw/zinc/62/46/91/779624691.db2.gz WZXIOVCAVHCXPL-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000254 779624695 /nfs/dbraw/zinc/62/46/95/779624695.db2.gz WZXIOVCAVHCXPL-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000254 779624700 /nfs/dbraw/zinc/62/47/00/779624700.db2.gz WZXIOVCAVHCXPL-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985521087 779886295 /nfs/dbraw/zinc/88/62/95/779886295.db2.gz KVIIIEUUFXSKSS-UHFFFAOYSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001088277614 779900688 /nfs/dbraw/zinc/90/06/88/779900688.db2.gz DIRBATVQJILSLV-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001088277611 779901241 /nfs/dbraw/zinc/90/12/41/779901241.db2.gz DIRBATVQJILSLV-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311838 779935768 /nfs/dbraw/zinc/93/57/68/779935768.db2.gz IEAMJRKVRIJRHJ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088317030 779940986 /nfs/dbraw/zinc/94/09/86/779940986.db2.gz PQIYOXVEODCFDA-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168137009 780210334 /nfs/dbraw/zinc/21/03/34/780210334.db2.gz KYHVGCSJDCTQLX-HZPDHXFCSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692854 780828058 /nfs/dbraw/zinc/82/80/58/780828058.db2.gz ALIMOFUAMNVCSP-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948045101 783301337 /nfs/dbraw/zinc/30/13/37/783301337.db2.gz WVFZKFXNDCXVHI-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948045101 783301348 /nfs/dbraw/zinc/30/13/48/783301348.db2.gz WVFZKFXNDCXVHI-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099103 783560694 /nfs/dbraw/zinc/56/06/94/783560694.db2.gz CHCZHANTOVLMDV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205361 783906156 /nfs/dbraw/zinc/90/61/56/783906156.db2.gz KTKZGLCYBRUNMB-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192303 784246601 /nfs/dbraw/zinc/24/66/01/784246601.db2.gz QJBBYXZZDRYZGS-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417831 784374115 /nfs/dbraw/zinc/37/41/15/784374115.db2.gz GVBMONNIXMCNIL-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856077 784621485 /nfs/dbraw/zinc/62/14/85/784621485.db2.gz DDURTYFXVPGIKO-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968916036 784648964 /nfs/dbraw/zinc/64/89/64/784648964.db2.gz XAAVJPPEFCHBCH-HUUCEWRRSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969096675 784725650 /nfs/dbraw/zinc/72/56/50/784725650.db2.gz BOMKAUYMTWLXMF-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615117 784961145 /nfs/dbraw/zinc/96/11/45/784961145.db2.gz BEKKFHCNDBUXGG-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615121 784961575 /nfs/dbraw/zinc/96/15/75/784961575.db2.gz BEKKFHCNDBUXGG-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762134 785297274 /nfs/dbraw/zinc/29/72/74/785297274.db2.gz SFIJYRUKYODJJU-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780416 785536368 /nfs/dbraw/zinc/53/63/68/785536368.db2.gz AAPOVOIYKOZBLE-KSZLIROESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248397 791124237 /nfs/dbraw/zinc/12/42/37/791124237.db2.gz UJBASUXJWDSKLU-CABCVRRESA-N 2 1 304.438 2.211 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406063 785856881 /nfs/dbraw/zinc/85/68/81/785856881.db2.gz MRQIQCPKHSTIIH-LTIDMASMSA-N 2 1 305.466 2.014 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860115 786088411 /nfs/dbraw/zinc/08/84/11/786088411.db2.gz LZYRQILQHFZDEX-OWSLCNJRSA-N 2 1 319.493 2.098 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112965934 786333582 /nfs/dbraw/zinc/33/35/82/786333582.db2.gz PRKGRZSCIRYAQG-QGZVFWFLSA-N 2 1 309.498 2.441 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113433241 786592558 /nfs/dbraw/zinc/59/25/58/786592558.db2.gz BDKFKOJMZYZCRT-MRXNPFEDSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429495 787213964 /nfs/dbraw/zinc/21/39/64/787213964.db2.gz HEYJEWUGARHPBL-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269427 787600969 /nfs/dbraw/zinc/60/09/69/787600969.db2.gz RUEVPUNCIIVLSC-SQNIBIBYSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105898 787932601 /nfs/dbraw/zinc/93/26/01/787932601.db2.gz OELPGCPWBMRWEF-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132107078 787933959 /nfs/dbraw/zinc/93/39/59/787933959.db2.gz XNFSWJSSKFLVIC-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132366167 788043017 /nfs/dbraw/zinc/04/30/17/788043017.db2.gz XHYBLUDEIRSWDH-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366167 788043024 /nfs/dbraw/zinc/04/30/24/788043024.db2.gz XHYBLUDEIRSWDH-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366167 788043033 /nfs/dbraw/zinc/04/30/33/788043033.db2.gz XHYBLUDEIRSWDH-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517354 788105824 /nfs/dbraw/zinc/10/58/24/788105824.db2.gz BGOXFWVKCSUPED-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734267 788205027 /nfs/dbraw/zinc/20/50/27/788205027.db2.gz LDILVXJFPGQONJ-OAGGEKHMSA-N 2 1 317.433 2.252 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734267 788205036 /nfs/dbraw/zinc/20/50/36/788205036.db2.gz LDILVXJFPGQONJ-OAGGEKHMSA-N 2 1 317.433 2.252 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457743 788272821 /nfs/dbraw/zinc/27/28/21/788272821.db2.gz MSHSONIKVGCAIJ-ZACQAIPSSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186409 788310270 /nfs/dbraw/zinc/31/02/70/788310270.db2.gz UOWSBJLQZBPYJE-ROUUACIJSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133275100 788345891 /nfs/dbraw/zinc/34/58/91/788345891.db2.gz PGONJTJEIMGIOT-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274075 788346136 /nfs/dbraw/zinc/34/61/36/788346136.db2.gz AVZOZDULJKIKCK-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170789935 789189184 /nfs/dbraw/zinc/18/91/84/789189184.db2.gz RZJFVONNKZCBIE-CGTJXYLNSA-N 2 1 301.434 2.002 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783470 789503070 /nfs/dbraw/zinc/50/30/70/789503070.db2.gz BSJYAKOFZPPTLB-GVDBMIGSSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071866015 789950000 /nfs/dbraw/zinc/95/00/00/789950000.db2.gz PTJOUFUWXNKGPS-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071866015 789950002 /nfs/dbraw/zinc/95/00/02/789950002.db2.gz PTJOUFUWXNKGPS-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072755052 790237856 /nfs/dbraw/zinc/23/78/56/790237856.db2.gz QLAYHRADYKKIJK-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755052 790237862 /nfs/dbraw/zinc/23/78/62/790237862.db2.gz QLAYHRADYKKIJK-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755052 790237867 /nfs/dbraw/zinc/23/78/67/790237867.db2.gz QLAYHRADYKKIJK-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147724651 791605249 /nfs/dbraw/zinc/60/52/49/791605249.db2.gz LRLCJPQNLSRUNL-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330140 791740976 /nfs/dbraw/zinc/74/09/76/791740976.db2.gz RRPSENNTTAAHFI-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148819829 791808171 /nfs/dbraw/zinc/80/81/71/791808171.db2.gz QMCGSWCKAASQBB-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839237 791809220 /nfs/dbraw/zinc/80/92/20/791809220.db2.gz NFCICOIUBWVIFA-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942419 791856548 /nfs/dbraw/zinc/85/65/48/791856548.db2.gz QOBMXEGCTFJFSP-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912273 792157697 /nfs/dbraw/zinc/15/76/97/792157697.db2.gz FXJUTTXAERGLNS-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912273 792157703 /nfs/dbraw/zinc/15/77/03/792157703.db2.gz FXJUTTXAERGLNS-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912273 792157709 /nfs/dbraw/zinc/15/77/09/792157709.db2.gz FXJUTTXAERGLNS-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321646 792171658 /nfs/dbraw/zinc/17/16/58/792171658.db2.gz ZCSHMZVYCABHTJ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321646 792171661 /nfs/dbraw/zinc/17/16/61/792171661.db2.gz ZCSHMZVYCABHTJ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321646 792171665 /nfs/dbraw/zinc/17/16/65/792171665.db2.gz ZCSHMZVYCABHTJ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025062 792204857 /nfs/dbraw/zinc/20/48/57/792204857.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025062 792204866 /nfs/dbraw/zinc/20/48/66/792204866.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025062 792204875 /nfs/dbraw/zinc/20/48/75/792204875.db2.gz PJWFGBRBYGVCAF-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099536270 792233677 /nfs/dbraw/zinc/23/36/77/792233677.db2.gz KVKZYJXCBOGAMG-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100345950 792603889 /nfs/dbraw/zinc/60/38/89/792603889.db2.gz ICKBTNRHLGLZRC-QQFBHYJXSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468839 792671456 /nfs/dbraw/zinc/67/14/56/792671456.db2.gz SRAUZBJPOGGXIQ-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585473 793013044 /nfs/dbraw/zinc/01/30/44/793013044.db2.gz XLPDVXGUZCHCRJ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585473 793013054 /nfs/dbraw/zinc/01/30/54/793013054.db2.gz XLPDVXGUZCHCRJ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585473 793013065 /nfs/dbraw/zinc/01/30/65/793013065.db2.gz XLPDVXGUZCHCRJ-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134437 /nfs/dbraw/zinc/13/44/37/793134437.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134449 /nfs/dbraw/zinc/13/44/49/793134449.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101363939 793134457 /nfs/dbraw/zinc/13/44/57/793134457.db2.gz GZQOJEAZBFIAHP-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001094999614 793566683 /nfs/dbraw/zinc/56/66/83/793566683.db2.gz KASOOUUUBPRHJM-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428671 793611304 /nfs/dbraw/zinc/61/13/04/793611304.db2.gz NXWJQIPZOQEUSJ-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102522922 793639003 /nfs/dbraw/zinc/63/90/03/793639003.db2.gz JUBSYDIQPQCAOA-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102522922 793639005 /nfs/dbraw/zinc/63/90/05/793639005.db2.gz JUBSYDIQPQCAOA-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102522922 793639007 /nfs/dbraw/zinc/63/90/07/793639007.db2.gz JUBSYDIQPQCAOA-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083734 793934043 /nfs/dbraw/zinc/93/40/43/793934043.db2.gz HEKZYIGSMCNMCW-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192562 793978520 /nfs/dbraw/zinc/97/85/20/793978520.db2.gz ZKMMSQJGDCPRRL-NVXWUHKLSA-N 2 1 324.428 2.045 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644777 794174982 /nfs/dbraw/zinc/17/49/82/794174982.db2.gz QGEHSELKGRTYRQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644777 794174988 /nfs/dbraw/zinc/17/49/88/794174988.db2.gz QGEHSELKGRTYRQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644777 794174996 /nfs/dbraw/zinc/17/49/96/794174996.db2.gz QGEHSELKGRTYRQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111984648 794540592 /nfs/dbraw/zinc/54/05/92/794540592.db2.gz HPSUTQRKNHYTMO-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984648 794540599 /nfs/dbraw/zinc/54/05/99/794540599.db2.gz HPSUTQRKNHYTMO-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984648 794540604 /nfs/dbraw/zinc/54/06/04/794540604.db2.gz HPSUTQRKNHYTMO-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081089 794673610 /nfs/dbraw/zinc/67/36/10/794673610.db2.gz KRGNCZKIQSREIX-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081089 794673615 /nfs/dbraw/zinc/67/36/15/794673615.db2.gz KRGNCZKIQSREIX-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081089 794673620 /nfs/dbraw/zinc/67/36/20/794673620.db2.gz KRGNCZKIQSREIX-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562641 794823211 /nfs/dbraw/zinc/82/32/11/794823211.db2.gz DIOMJFIIJPDHTI-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730908 794899939 /nfs/dbraw/zinc/89/99/39/794899939.db2.gz ULGNRRGXNRKSJF-HOTGVXAUSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483537 794935211 /nfs/dbraw/zinc/93/52/11/794935211.db2.gz CLTFCSFNNGXJME-QZTJIDSGSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688049 794975355 /nfs/dbraw/zinc/97/53/55/794975355.db2.gz DZWRJQMKRDYIKQ-SFHVURJKSA-N 2 1 321.509 2.254 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688737 794976042 /nfs/dbraw/zinc/97/60/42/794976042.db2.gz IFMLLYYXYXWSHP-ULQDDVLXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178890003 795020226 /nfs/dbraw/zinc/02/02/26/795020226.db2.gz FIFXHULPYDVVHC-HRCADAONSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026226 795048914 /nfs/dbraw/zinc/04/89/14/795048914.db2.gz RVVLNXPRJJWRQS-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179749117 795171985 /nfs/dbraw/zinc/17/19/85/795171985.db2.gz YLLDGCKRYFEFCK-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190541 795419541 /nfs/dbraw/zinc/41/95/41/795419541.db2.gz UYNXDVSBMGLALM-CALCHBBNSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440633 795461407 /nfs/dbraw/zinc/46/14/07/795461407.db2.gz QBVBEGJRMOQQCW-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440633 795461409 /nfs/dbraw/zinc/46/14/09/795461409.db2.gz QBVBEGJRMOQQCW-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440633 795461412 /nfs/dbraw/zinc/46/14/12/795461412.db2.gz QBVBEGJRMOQQCW-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121773106 795685939 /nfs/dbraw/zinc/68/59/39/795685939.db2.gz OBSAGWVXGZIZLJ-OIJFSCQUSA-N 2 1 319.493 2.167 20 30 DEEDMP CCCCCCCC[C@H]([NH3+])C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001122289706 795743831 /nfs/dbraw/zinc/74/38/31/795743831.db2.gz RZZAQNRDLUORDT-AWEZNQCLSA-N 2 1 307.442 2.003 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185447299 796270242 /nfs/dbraw/zinc/27/02/42/796270242.db2.gz RGOMWCIGDLFZCS-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605537 796427029 /nfs/dbraw/zinc/42/70/29/796427029.db2.gz OYXKREGOIXLKBR-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161206706 796477184 /nfs/dbraw/zinc/47/71/84/796477184.db2.gz LAQSYERBJWXBKH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206706 796477188 /nfs/dbraw/zinc/47/71/88/796477188.db2.gz LAQSYERBJWXBKH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206706 796477191 /nfs/dbraw/zinc/47/71/91/796477191.db2.gz LAQSYERBJWXBKH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034973 796481841 /nfs/dbraw/zinc/48/18/41/796481841.db2.gz REENOCWKXQBWAH-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246358 796643973 /nfs/dbraw/zinc/64/39/73/796643973.db2.gz JRUAYQHKUHYUGI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246358 796643974 /nfs/dbraw/zinc/64/39/74/796643974.db2.gz JRUAYQHKUHYUGI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246358 796643977 /nfs/dbraw/zinc/64/39/77/796643977.db2.gz JRUAYQHKUHYUGI-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+](C)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572925 796677279 /nfs/dbraw/zinc/67/72/79/796677279.db2.gz DVFWMUMPLGFKFF-UHFFFAOYSA-N 2 1 320.481 2.321 20 30 DEEDMP C=CC[N@H+](C)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141572925 796677281 /nfs/dbraw/zinc/67/72/81/796677281.db2.gz DVFWMUMPLGFKFF-UHFFFAOYSA-N 2 1 320.481 2.321 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389233 796815835 /nfs/dbraw/zinc/81/58/35/796815835.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389233 796815840 /nfs/dbraw/zinc/81/58/40/796815840.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389233 796815845 /nfs/dbraw/zinc/81/58/45/796815845.db2.gz IWYUDRCEBVSOAA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190655178 797050708 /nfs/dbraw/zinc/05/07/08/797050708.db2.gz OJZCMHKCHSNTFV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655178 797050712 /nfs/dbraw/zinc/05/07/12/797050712.db2.gz OJZCMHKCHSNTFV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655178 797050717 /nfs/dbraw/zinc/05/07/17/797050717.db2.gz OJZCMHKCHSNTFV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134228 797325729 /nfs/dbraw/zinc/32/57/29/797325729.db2.gz HVKMOFCJYCPVPB-DOTOQJQBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238013 797715796 /nfs/dbraw/zinc/71/57/96/797715796.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238013 797715800 /nfs/dbraw/zinc/71/58/00/797715800.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238013 797715804 /nfs/dbraw/zinc/71/58/04/797715804.db2.gz UPVHQUGPXVVUFY-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196508062 798065035 /nfs/dbraw/zinc/06/50/35/798065035.db2.gz XHONXHJEAOWLBB-HNNXBMFYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196508062 798065042 /nfs/dbraw/zinc/06/50/42/798065042.db2.gz XHONXHJEAOWLBB-HNNXBMFYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196508062 798065048 /nfs/dbraw/zinc/06/50/48/798065048.db2.gz XHONXHJEAOWLBB-HNNXBMFYSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001157132190 798147910 /nfs/dbraw/zinc/14/79/10/798147910.db2.gz DTEIOOCGNOLLCH-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132190 798147915 /nfs/dbraw/zinc/14/79/15/798147915.db2.gz DTEIOOCGNOLLCH-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197180377 798153347 /nfs/dbraw/zinc/15/33/47/798153347.db2.gz JNCDJORWBKGXHX-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197180377 798153353 /nfs/dbraw/zinc/15/33/53/798153353.db2.gz JNCDJORWBKGXHX-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197180377 798153354 /nfs/dbraw/zinc/15/33/54/798153354.db2.gz JNCDJORWBKGXHX-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106322 798285762 /nfs/dbraw/zinc/28/57/62/798285762.db2.gz SNGRFEPMXOGITL-HNNXBMFYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106322 798285768 /nfs/dbraw/zinc/28/57/68/798285768.db2.gz SNGRFEPMXOGITL-HNNXBMFYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001160952136 798768777 /nfs/dbraw/zinc/76/87/77/798768777.db2.gz SFCYTXRDSSVXPE-HNNXBMFYSA-N 2 1 301.438 2.448 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001160952136 798768783 /nfs/dbraw/zinc/76/87/83/798768783.db2.gz SFCYTXRDSSVXPE-HNNXBMFYSA-N 2 1 301.438 2.448 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089027 798794518 /nfs/dbraw/zinc/79/45/18/798794518.db2.gz GILULYMZUZRPLH-MRXNPFEDSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161755098 798930028 /nfs/dbraw/zinc/93/00/28/798930028.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755098 798930033 /nfs/dbraw/zinc/93/00/33/798930033.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755098 798930041 /nfs/dbraw/zinc/93/00/41/798930041.db2.gz LQXFSWOMNDBYLN-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924472 798968902 /nfs/dbraw/zinc/96/89/02/798968902.db2.gz DNEGJFWWAWABLN-IRXDYDNUSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953398 798978490 /nfs/dbraw/zinc/97/84/90/798978490.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953398 798978494 /nfs/dbraw/zinc/97/84/94/798978494.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953398 798978498 /nfs/dbraw/zinc/97/84/98/798978498.db2.gz UNJYPYIRHGUMEC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165926838 799796549 /nfs/dbraw/zinc/79/65/49/799796549.db2.gz GNNMHXPMFJPQOI-QGZVFWFLSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166686997 799922239 /nfs/dbraw/zinc/92/22/39/799922239.db2.gz GMOAZWOQYPSZGC-QGZVFWFLSA-N 2 1 313.461 2.261 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461278 800360394 /nfs/dbraw/zinc/36/03/94/800360394.db2.gz GTWBPEGJMVPDPA-INIZCTEOSA-N 2 1 316.449 2.165 20 30 DEEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001206525143 800548169 /nfs/dbraw/zinc/54/81/69/800548169.db2.gz HXDNSZOCBPVVCS-LPHOPBHVSA-N 2 1 323.396 2.102 20 30 DEEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001206525143 800548174 /nfs/dbraw/zinc/54/81/74/800548174.db2.gz HXDNSZOCBPVVCS-LPHOPBHVSA-N 2 1 323.396 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008310 800655480 /nfs/dbraw/zinc/65/54/80/800655480.db2.gz WUNBTVFFFYAOEN-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008310 800655484 /nfs/dbraw/zinc/65/54/84/800655484.db2.gz WUNBTVFFFYAOEN-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169350 800858365 /nfs/dbraw/zinc/85/83/65/800858365.db2.gz PEUWXLJDIJICPB-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014129 800892151 /nfs/dbraw/zinc/89/21/51/800892151.db2.gz MNHRWSXDEURJPM-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014132 800892924 /nfs/dbraw/zinc/89/29/24/800892924.db2.gz MNHRWSXDEURJPM-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208123716 800916540 /nfs/dbraw/zinc/91/65/40/800916540.db2.gz RIEMOBVPTGOPQQ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208361544 800966728 /nfs/dbraw/zinc/96/67/28/800966728.db2.gz FUADRNQGGLNJHN-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208757133 801064400 /nfs/dbraw/zinc/06/44/00/801064400.db2.gz BZUIDXDSZBXXEQ-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001209451682 801193974 /nfs/dbraw/zinc/19/39/74/801193974.db2.gz NQRKFQUJDRWBPK-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001209451682 801193978 /nfs/dbraw/zinc/19/39/78/801193978.db2.gz NQRKFQUJDRWBPK-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209726103 801265642 /nfs/dbraw/zinc/26/56/42/801265642.db2.gz ORSLNBLSCJYIOF-GOSISDBHSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209726103 801265646 /nfs/dbraw/zinc/26/56/46/801265646.db2.gz ORSLNBLSCJYIOF-GOSISDBHSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132482 801339523 /nfs/dbraw/zinc/33/95/23/801339523.db2.gz CGHDANSDTHOZRU-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236227 801355994 /nfs/dbraw/zinc/35/59/94/801355994.db2.gz KVJUEHULSQBHPG-QZTJIDSGSA-N 2 1 321.509 2.348 20 30 DEEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262833 801378819 /nfs/dbraw/zinc/37/88/19/801378819.db2.gz UXOPLHCONFBPPZ-MRXNPFEDSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094490 801511534 /nfs/dbraw/zinc/51/15/34/801511534.db2.gz BOAAMLLTOPSRLK-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335974 801704742 /nfs/dbraw/zinc/70/47/42/801704742.db2.gz PJEMYWJJUXWQCZ-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850228 801765784 /nfs/dbraw/zinc/76/57/84/801765784.db2.gz RFUQPRPGQSROOK-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036035 801793367 /nfs/dbraw/zinc/79/33/67/801793367.db2.gz MFYCHQBOMLQOBJ-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215381333 801852163 /nfs/dbraw/zinc/85/21/63/801852163.db2.gz SRIZFWWWKUZQGV-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968823 802630209 /nfs/dbraw/zinc/63/02/09/802630209.db2.gz BZEZZHRMERDRAU-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968823 802630212 /nfs/dbraw/zinc/63/02/12/802630212.db2.gz BZEZZHRMERDRAU-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968823 802630214 /nfs/dbraw/zinc/63/02/14/802630214.db2.gz BZEZZHRMERDRAU-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224577443 802884149 /nfs/dbraw/zinc/88/41/49/802884149.db2.gz ZWJBISQGNQKOSS-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226890048 803172664 /nfs/dbraw/zinc/17/26/64/803172664.db2.gz GJLHEMGNUKRUJV-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228603663 803379887 /nfs/dbraw/zinc/37/98/87/803379887.db2.gz RFPBBLBSNMAOHR-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001328766721 1148833256 /nfs/dbraw/zinc/83/32/56/1148833256.db2.gz TVMMBHGGAAEYRZ-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1cncn1C ZINC001328785005 1148834738 /nfs/dbraw/zinc/83/47/38/1148834738.db2.gz FTMAYQORFGGFMW-KRWDZBQOSA-N 2 1 318.465 2.242 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001501746372 1059680890 /nfs/dbraw/zinc/68/08/90/1059680890.db2.gz HCQXUGJWDKQJKI-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456569 1060625888 /nfs/dbraw/zinc/62/58/88/1060625888.db2.gz YGWVJTIQRXULGB-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456569 1060625893 /nfs/dbraw/zinc/62/58/93/1060625893.db2.gz YGWVJTIQRXULGB-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505456569 1060625897 /nfs/dbraw/zinc/62/58/97/1060625897.db2.gz YGWVJTIQRXULGB-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505456569 1060625904 /nfs/dbraw/zinc/62/59/04/1060625904.db2.gz YGWVJTIQRXULGB-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001479233288 1061307984 /nfs/dbraw/zinc/30/79/84/1061307984.db2.gz IQWRVWUOQOYOID-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479233288 1061307994 /nfs/dbraw/zinc/30/79/94/1061307994.db2.gz IQWRVWUOQOYOID-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479233288 1061308010 /nfs/dbraw/zinc/30/80/10/1061308010.db2.gz IQWRVWUOQOYOID-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001479370055 1061420155 /nfs/dbraw/zinc/42/01/55/1061420155.db2.gz ICKBTNRHLGLZRC-BZUAXINKSA-N 2 1 318.465 2.457 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835597 1061867846 /nfs/dbraw/zinc/86/78/46/1061867846.db2.gz XWKCVJAOJMXHNZ-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965183 1062121681 /nfs/dbraw/zinc/12/16/81/1062121681.db2.gz NUFBJTGQAYVDOF-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001506888239 1062473304 /nfs/dbraw/zinc/47/33/04/1062473304.db2.gz XGTSRXKSQXJZRI-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001506901614 1062489198 /nfs/dbraw/zinc/48/91/98/1062489198.db2.gz FZCXKKKJTOPPFS-SZMVWBNQSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001506928139 1062537673 /nfs/dbraw/zinc/53/76/73/1062537673.db2.gz LZAJKRZIJPEZOD-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001506962897 1062604424 /nfs/dbraw/zinc/60/44/24/1062604424.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001506962897 1062604438 /nfs/dbraw/zinc/60/44/38/1062604438.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001506962897 1062604447 /nfs/dbraw/zinc/60/44/47/1062604447.db2.gz GTLKIERFJODTMA-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386479 1062773877 /nfs/dbraw/zinc/77/38/77/1062773877.db2.gz JHKZJTZMUKZOCW-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001507355849 1063146973 /nfs/dbraw/zinc/14/69/73/1063146973.db2.gz NIAJVWSRAAYNFS-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001507355849 1063146982 /nfs/dbraw/zinc/14/69/82/1063146982.db2.gz NIAJVWSRAAYNFS-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001507355849 1063146991 /nfs/dbraw/zinc/14/69/91/1063146991.db2.gz NIAJVWSRAAYNFS-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001507355851 1063147710 /nfs/dbraw/zinc/14/77/10/1063147710.db2.gz NIAJVWSRAAYNFS-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001507355851 1063147724 /nfs/dbraw/zinc/14/77/24/1063147724.db2.gz NIAJVWSRAAYNFS-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001507355851 1063147736 /nfs/dbraw/zinc/14/77/36/1063147736.db2.gz NIAJVWSRAAYNFS-WMZOPIPTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480697274 1063204366 /nfs/dbraw/zinc/20/43/66/1063204366.db2.gz LRBPOAPMAQGXRS-CVEARBPZSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)CCC[NH+]1CCCCC1)C(C)C ZINC001507862577 1063446882 /nfs/dbraw/zinc/44/68/82/1063446882.db2.gz VORGKFFJPNWUHQ-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001493832697 1063981883 /nfs/dbraw/zinc/98/18/83/1063981883.db2.gz YRQUDHKYIQQHAB-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001494082461 1064117479 /nfs/dbraw/zinc/11/74/79/1064117479.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494082461 1064117484 /nfs/dbraw/zinc/11/74/84/1064117484.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494082461 1064117490 /nfs/dbraw/zinc/11/74/90/1064117490.db2.gz GXUGNTMIVXCBAV-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001494215216 1064177923 /nfs/dbraw/zinc/17/79/23/1064177923.db2.gz YNJFKHHOKNHKOI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001494215216 1064177925 /nfs/dbraw/zinc/17/79/25/1064177925.db2.gz YNJFKHHOKNHKOI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567737673 1064391504 /nfs/dbraw/zinc/39/15/04/1064391504.db2.gz FQOVOFNJTALZMZ-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568385490 1064827622 /nfs/dbraw/zinc/82/76/22/1064827622.db2.gz GQMFVVITNKNILP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001568441070 1064875893 /nfs/dbraw/zinc/87/58/93/1064875893.db2.gz OITMBYBNDURTOP-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632715 1065009471 /nfs/dbraw/zinc/00/94/71/1065009471.db2.gz PDNAPUKTWPLMII-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001495984815 1065205687 /nfs/dbraw/zinc/20/56/87/1065205687.db2.gz CPLMKKMPNPAFSE-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001496457921 1065482117 /nfs/dbraw/zinc/48/21/17/1065482117.db2.gz AQFZLHNUURZHQR-DZGCQCFKSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001496457924 1065482584 /nfs/dbraw/zinc/48/25/84/1065482584.db2.gz AQFZLHNUURZHQR-ZFWWWQNUSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001569466501 1065524676 /nfs/dbraw/zinc/52/46/76/1065524676.db2.gz BIJZKIFWPFXPQZ-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001569466501 1065524683 /nfs/dbraw/zinc/52/46/83/1065524683.db2.gz BIJZKIFWPFXPQZ-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001569466501 1065524700 /nfs/dbraw/zinc/52/47/00/1065524700.db2.gz BIJZKIFWPFXPQZ-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570003550 1065874726 /nfs/dbraw/zinc/87/47/26/1065874726.db2.gz ALSSKHLVWAHPCI-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001570275362 1066001574 /nfs/dbraw/zinc/00/15/74/1066001574.db2.gz VENORMLFIHNQQM-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001570504247 1066098124 /nfs/dbraw/zinc/09/81/24/1066098124.db2.gz FDELSYVNMZKFCH-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497677860 1066232928 /nfs/dbraw/zinc/23/29/28/1066232928.db2.gz BTBVFXAKIIAIGP-LXXRFIIISA-N 2 1 311.445 2.037 20 30 DEEDMP CCCCN(O)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001577457842 1066847516 /nfs/dbraw/zinc/84/75/16/1066847516.db2.gz HHFWBFFSTIYQTN-UHFFFAOYSA-N 2 1 319.449 2.388 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001498904548 1066950092 /nfs/dbraw/zinc/95/00/92/1066950092.db2.gz VJVLJVZDXKCXID-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001498999837 1067012796 /nfs/dbraw/zinc/01/27/96/1067012796.db2.gz ICEPQTKLRYEPOH-CVEARBPZSA-N 2 1 304.438 2.237 20 30 DEEDMP C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578446534 1067103880 /nfs/dbraw/zinc/10/38/80/1067103880.db2.gz ZKLUMJIKLXZPSG-IIDMSEBBSA-N 2 1 301.434 2.289 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001499511653 1067241707 /nfs/dbraw/zinc/24/17/07/1067241707.db2.gz JWEHKAKVNBHZJV-SQNIBIBYSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001499584438 1067267320 /nfs/dbraw/zinc/26/73/20/1067267320.db2.gz BBLYYAYSJWGRJG-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267106967 1078584776 /nfs/dbraw/zinc/58/47/76/1078584776.db2.gz ADTHBFQYLHRJBM-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267106967 1078584781 /nfs/dbraw/zinc/58/47/81/1078584781.db2.gz ADTHBFQYLHRJBM-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585848 1078614609 /nfs/dbraw/zinc/61/46/09/1078614609.db2.gz DJFDENMWNCQRLS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570553565 1068000688 /nfs/dbraw/zinc/00/06/88/1068000688.db2.gz UHKJLUWNQUKVHW-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570716705 1068091382 /nfs/dbraw/zinc/09/13/82/1068091382.db2.gz YQCKXOBTJJRAQB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570716705 1068091397 /nfs/dbraw/zinc/09/13/97/1068091397.db2.gz YQCKXOBTJJRAQB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570716705 1068091410 /nfs/dbraw/zinc/09/14/10/1068091410.db2.gz YQCKXOBTJJRAQB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570716704 1068091438 /nfs/dbraw/zinc/09/14/38/1068091438.db2.gz YQCKXOBTJJRAQB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570716704 1068091452 /nfs/dbraw/zinc/09/14/52/1068091452.db2.gz YQCKXOBTJJRAQB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570716704 1068091467 /nfs/dbraw/zinc/09/14/67/1068091467.db2.gz YQCKXOBTJJRAQB-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267282116 1078728395 /nfs/dbraw/zinc/72/83/95/1078728395.db2.gz ATMDFPLKQAGIIU-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001267282116 1078728400 /nfs/dbraw/zinc/72/84/00/1078728400.db2.gz ATMDFPLKQAGIIU-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282116 1078728407 /nfs/dbraw/zinc/72/84/07/1078728407.db2.gz ATMDFPLKQAGIIU-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282116 1078728411 /nfs/dbraw/zinc/72/84/11/1078728411.db2.gz ATMDFPLKQAGIIU-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325099 1078765669 /nfs/dbraw/zinc/76/56/69/1078765669.db2.gz CEVFDIMRKWTHSJ-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267324575 1078765817 /nfs/dbraw/zinc/76/58/17/1078765817.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001267324575 1078765819 /nfs/dbraw/zinc/76/58/19/1078765819.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001267324575 1078765822 /nfs/dbraw/zinc/76/58/22/1078765822.db2.gz MCBKRNWHXHODAV-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267464960 1078876851 /nfs/dbraw/zinc/87/68/51/1078876851.db2.gz BBZLJOCYWHLPLE-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267464960 1078876861 /nfs/dbraw/zinc/87/68/61/1078876861.db2.gz BBZLJOCYWHLPLE-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267464960 1078876868 /nfs/dbraw/zinc/87/68/68/1078876868.db2.gz BBZLJOCYWHLPLE-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CCC[NH2+]1 ZINC001574892339 1069288846 /nfs/dbraw/zinc/28/88/46/1069288846.db2.gz AAWDUOYBWYNLCK-GOSISDBHSA-N 2 1 305.466 2.162 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267510502 1078940052 /nfs/dbraw/zinc/94/00/52/1078940052.db2.gz SCQUSQTTXVNADS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001267510502 1078940057 /nfs/dbraw/zinc/94/00/57/1078940057.db2.gz SCQUSQTTXVNADS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001267510502 1078940062 /nfs/dbraw/zinc/94/00/62/1078940062.db2.gz SCQUSQTTXVNADS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001267604582 1079176013 /nfs/dbraw/zinc/17/60/13/1079176013.db2.gz WVMWIABUWYIQDP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001267604582 1079176016 /nfs/dbraw/zinc/17/60/16/1079176016.db2.gz WVMWIABUWYIQDP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267604582 1079176020 /nfs/dbraw/zinc/17/60/20/1079176020.db2.gz WVMWIABUWYIQDP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481118406 1079206153 /nfs/dbraw/zinc/20/61/53/1079206153.db2.gz HQDMATBOJGRKML-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118406 1079206160 /nfs/dbraw/zinc/20/61/60/1079206160.db2.gz HQDMATBOJGRKML-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118406 1079206169 /nfs/dbraw/zinc/20/61/69/1079206169.db2.gz HQDMATBOJGRKML-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490282399 1093275430 /nfs/dbraw/zinc/27/54/30/1093275430.db2.gz VTGZYIDPURYQKS-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484055969 1079276093 /nfs/dbraw/zinc/27/60/93/1079276093.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001484055969 1079276105 /nfs/dbraw/zinc/27/61/05/1079276105.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001484055969 1079276114 /nfs/dbraw/zinc/27/61/14/1079276114.db2.gz YHBKIJQWUZWPSD-GOSISDBHSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001279241650 1079309990 /nfs/dbraw/zinc/30/99/90/1079309990.db2.gz HKNLBSRUHHFZFR-AQFXKWCLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267666063 1079355023 /nfs/dbraw/zinc/35/50/23/1079355023.db2.gz PCEOUSCFEXQYTC-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566029175 1075218291 /nfs/dbraw/zinc/21/82/91/1075218291.db2.gz UGOFPKRHOKFCLK-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001566744950 1075333575 /nfs/dbraw/zinc/33/35/75/1075333575.db2.gz BXTBYEGFWXLKJW-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001566744950 1075333579 /nfs/dbraw/zinc/33/35/79/1075333579.db2.gz BXTBYEGFWXLKJW-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001566744950 1075333583 /nfs/dbraw/zinc/33/35/83/1075333583.db2.gz BXTBYEGFWXLKJW-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769176 1079474446 /nfs/dbraw/zinc/47/44/46/1079474446.db2.gz AUOIDIKXXGAINT-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001329460266 1148897384 /nfs/dbraw/zinc/89/73/84/1148897384.db2.gz PXMCDTBADKYQIE-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001329460266 1148897387 /nfs/dbraw/zinc/89/73/87/1148897387.db2.gz PXMCDTBADKYQIE-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001329460266 1148897388 /nfs/dbraw/zinc/89/73/88/1148897388.db2.gz PXMCDTBADKYQIE-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267959049 1079638836 /nfs/dbraw/zinc/63/88/36/1079638836.db2.gz LOFUCUUACSVRCQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484527750 1079641563 /nfs/dbraw/zinc/64/15/63/1079641563.db2.gz XXWJXGNDVRMNLS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484567902 1079665196 /nfs/dbraw/zinc/66/51/96/1079665196.db2.gz AAXYYZGHLCRNSK-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335265 1079730166 /nfs/dbraw/zinc/73/01/66/1079730166.db2.gz SZDGSGXYNMLGIK-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001481340289 1079734607 /nfs/dbraw/zinc/73/46/07/1079734607.db2.gz PQYTZVVCLBUDQY-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001481350706 1079744735 /nfs/dbraw/zinc/74/47/35/1079744735.db2.gz POLHPHAJGNVRQB-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001481350706 1079744737 /nfs/dbraw/zinc/74/47/37/1079744737.db2.gz POLHPHAJGNVRQB-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001481350706 1079744744 /nfs/dbraw/zinc/74/47/44/1079744744.db2.gz POLHPHAJGNVRQB-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937548 1079868403 /nfs/dbraw/zinc/86/84/03/1079868403.db2.gz PFOMTHZYMJYORZ-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496026 1079953336 /nfs/dbraw/zinc/95/33/36/1079953336.db2.gz QWWMCMDVSDZXBF-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001481516044 1079983275 /nfs/dbraw/zinc/98/32/75/1079983275.db2.gz KMEVETZRRSBTNJ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481516044 1079983282 /nfs/dbraw/zinc/98/32/82/1079983282.db2.gz KMEVETZRRSBTNJ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001481516044 1079983289 /nfs/dbraw/zinc/98/32/89/1079983289.db2.gz KMEVETZRRSBTNJ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001481519399 1079989622 /nfs/dbraw/zinc/98/96/22/1079989622.db2.gz DPGXOOKJBSWSLL-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001481521250 1079991514 /nfs/dbraw/zinc/99/15/14/1079991514.db2.gz WGOHWAUGJVSDLL-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268106514 1080077206 /nfs/dbraw/zinc/07/72/06/1080077206.db2.gz UTFBLYFOHFZLEF-IRXDYDNUSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001656630694 1080109022 /nfs/dbraw/zinc/10/90/22/1080109022.db2.gz KKTTUKVIPQMRFL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268150429 1080123369 /nfs/dbraw/zinc/12/33/69/1080123369.db2.gz IFVMOPDHDNELLQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001656839905 1080128524 /nfs/dbraw/zinc/12/85/24/1080128524.db2.gz NGDXPIFAWUTANM-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001656839905 1080128528 /nfs/dbraw/zinc/12/85/28/1080128528.db2.gz NGDXPIFAWUTANM-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001656839905 1080128532 /nfs/dbraw/zinc/12/85/32/1080128532.db2.gz NGDXPIFAWUTANM-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656880469 1080132762 /nfs/dbraw/zinc/13/27/62/1080132762.db2.gz FJUDGOWANPSNSH-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001657036492 1080147907 /nfs/dbraw/zinc/14/79/07/1080147907.db2.gz XJDVSFVBXVMTIE-IKGGRYGDSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001657036492 1080147915 /nfs/dbraw/zinc/14/79/15/1080147915.db2.gz XJDVSFVBXVMTIE-IKGGRYGDSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001657036492 1080147920 /nfs/dbraw/zinc/14/79/20/1080147920.db2.gz XJDVSFVBXVMTIE-IKGGRYGDSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001657067487 1080152110 /nfs/dbraw/zinc/15/21/10/1080152110.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001657067487 1080152116 /nfs/dbraw/zinc/15/21/16/1080152116.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001657067487 1080152121 /nfs/dbraw/zinc/15/21/21/1080152121.db2.gz WYLDPMNPEMSLEO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001268181451 1080170937 /nfs/dbraw/zinc/17/09/37/1080170937.db2.gz XSQHEQUGONSINH-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001268216584 1080201966 /nfs/dbraw/zinc/20/19/66/1080201966.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001268216584 1080201970 /nfs/dbraw/zinc/20/19/70/1080201970.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001268216584 1080201977 /nfs/dbraw/zinc/20/19/77/1080201977.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001268216584 1080201983 /nfs/dbraw/zinc/20/19/83/1080201983.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001268216584 1080201987 /nfs/dbraw/zinc/20/19/87/1080201987.db2.gz KPELOWAEKKDABF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001485481545 1080245931 /nfs/dbraw/zinc/24/59/31/1080245931.db2.gz CVNPMRXSQORADV-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001481690520 1080304132 /nfs/dbraw/zinc/30/41/32/1080304132.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001481690520 1080304138 /nfs/dbraw/zinc/30/41/38/1080304138.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001481690520 1080304142 /nfs/dbraw/zinc/30/41/42/1080304142.db2.gz JGBWLNAZPTXYCC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661231035 1080460972 /nfs/dbraw/zinc/46/09/72/1080460972.db2.gz CKRGUFLOLWQUST-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001661231035 1080460976 /nfs/dbraw/zinc/46/09/76/1080460976.db2.gz CKRGUFLOLWQUST-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661231035 1080460981 /nfs/dbraw/zinc/46/09/81/1080460981.db2.gz CKRGUFLOLWQUST-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001481999844 1080680713 /nfs/dbraw/zinc/68/07/13/1080680713.db2.gz XNYXTKWNLLZMPV-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663067873 1080695413 /nfs/dbraw/zinc/69/54/13/1080695413.db2.gz ZCGHBYPNICVFJY-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663067873 1080695416 /nfs/dbraw/zinc/69/54/16/1080695416.db2.gz ZCGHBYPNICVFJY-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663067873 1080695418 /nfs/dbraw/zinc/69/54/18/1080695418.db2.gz ZCGHBYPNICVFJY-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001284131552 1080698730 /nfs/dbraw/zinc/69/87/30/1080698730.db2.gz QSHLQVVKLAJJSI-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664678020 1080941614 /nfs/dbraw/zinc/94/16/14/1080941614.db2.gz JYROHQDNNRCRCK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001664678020 1080941623 /nfs/dbraw/zinc/94/16/23/1080941623.db2.gz JYROHQDNNRCRCK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001664678020 1080941629 /nfs/dbraw/zinc/94/16/29/1080941629.db2.gz JYROHQDNNRCRCK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001268734838 1080960089 /nfs/dbraw/zinc/96/00/89/1080960089.db2.gz BBMQLBPULKNJMY-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001664806675 1080963236 /nfs/dbraw/zinc/96/32/36/1080963236.db2.gz IZNAQOWFWNMIAY-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665283902 1081009111 /nfs/dbraw/zinc/00/91/11/1081009111.db2.gz LTQPUVKAZZOQJC-CQSZACIVSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001269558145 1081290891 /nfs/dbraw/zinc/29/08/91/1081290891.db2.gz WXDWYVVJLXDQKD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558145 1081290895 /nfs/dbraw/zinc/29/08/95/1081290895.db2.gz WXDWYVVJLXDQKD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558145 1081290901 /nfs/dbraw/zinc/29/09/01/1081290901.db2.gz WXDWYVVJLXDQKD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859058 1081384417 /nfs/dbraw/zinc/38/44/17/1081384417.db2.gz LBJMWTSBVUULGA-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001270118455 1081454510 /nfs/dbraw/zinc/45/45/10/1081454510.db2.gz PHVQALJJFKTQHS-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403796 1081520009 /nfs/dbraw/zinc/52/00/09/1081520009.db2.gz MIHMATNYLYLWMO-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671916450 1081550092 /nfs/dbraw/zinc/55/00/92/1081550092.db2.gz LXPDVZCTVVMBMJ-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671916450 1081550098 /nfs/dbraw/zinc/55/00/98/1081550098.db2.gz LXPDVZCTVVMBMJ-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671916450 1081550105 /nfs/dbraw/zinc/55/01/05/1081550105.db2.gz LXPDVZCTVVMBMJ-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)C[C@@H](C)CC)CC1 ZINC001673491882 1081776738 /nfs/dbraw/zinc/77/67/38/1081776738.db2.gz SUEYFHRLQZRNKU-KRWDZBQOSA-N 2 1 321.509 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408267 1081820344 /nfs/dbraw/zinc/82/03/44/1081820344.db2.gz QESAGFJXFFMRLB-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408267 1081820351 /nfs/dbraw/zinc/82/03/51/1081820351.db2.gz QESAGFJXFFMRLB-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408267 1081820359 /nfs/dbraw/zinc/82/03/59/1081820359.db2.gz QESAGFJXFFMRLB-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271007182 1081873354 /nfs/dbraw/zinc/87/33/54/1081873354.db2.gz KITAVQDALPGEED-AEFFLSMTSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674500133 1081883697 /nfs/dbraw/zinc/88/36/97/1081883697.db2.gz WTDLEHVQMULOCQ-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674500133 1081883702 /nfs/dbraw/zinc/88/37/02/1081883702.db2.gz WTDLEHVQMULOCQ-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266472150 1082060209 /nfs/dbraw/zinc/06/02/09/1082060209.db2.gz DJMLZPFCLPSTKF-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001271585397 1082087121 /nfs/dbraw/zinc/08/71/21/1082087121.db2.gz NJEGYPNIABWJOR-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001271772607 1082150656 /nfs/dbraw/zinc/15/06/56/1082150656.db2.gz RXEPSKPBQSPYPT-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001271772607 1082150658 /nfs/dbraw/zinc/15/06/58/1082150658.db2.gz RXEPSKPBQSPYPT-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001271772607 1082150663 /nfs/dbraw/zinc/15/06/63/1082150663.db2.gz RXEPSKPBQSPYPT-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563966 1082221796 /nfs/dbraw/zinc/22/17/96/1082221796.db2.gz AFUQVSIEKRTOTQ-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266770286 1082332664 /nfs/dbraw/zinc/33/26/64/1082332664.db2.gz SKGWBHYVOIXBFX-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001482878013 1082541433 /nfs/dbraw/zinc/54/14/33/1082541433.db2.gz JJZLLUAGRNRVJV-ZDUSSCGKSA-N 2 1 312.845 2.243 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001671138565 1083403361 /nfs/dbraw/zinc/40/33/61/1083403361.db2.gz ZZWYMFFNIAZDNQ-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451258 1083405931 /nfs/dbraw/zinc/40/59/31/1083405931.db2.gz SNMQSWFGQBJIES-JFIYKMOQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550017 1083474011 /nfs/dbraw/zinc/47/40/11/1083474011.db2.gz LDFGJRSUQJLVSY-VQIMIIECSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550017 1083474014 /nfs/dbraw/zinc/47/40/14/1083474014.db2.gz LDFGJRSUQJLVSY-VQIMIIECSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550017 1083474018 /nfs/dbraw/zinc/47/40/18/1083474018.db2.gz LDFGJRSUQJLVSY-VQIMIIECSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885043 1083664361 /nfs/dbraw/zinc/66/43/61/1083664361.db2.gz BNEAKMGSIZRJQP-APWZRJJASA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001277259406 1083878230 /nfs/dbraw/zinc/87/82/30/1083878230.db2.gz MSKXWHWYBYCOCP-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491120503 1084086043 /nfs/dbraw/zinc/08/60/43/1084086043.db2.gz QGWLJQLTEPRXRW-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130008 1084094464 /nfs/dbraw/zinc/09/44/64/1084094464.db2.gz KNEZJLKWWGELRG-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130008 1084094472 /nfs/dbraw/zinc/09/44/72/1084094472.db2.gz KNEZJLKWWGELRG-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491173802 1084129579 /nfs/dbraw/zinc/12/95/79/1084129579.db2.gz UJMZHRUHNVDCPP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237191 1084175235 /nfs/dbraw/zinc/17/52/35/1084175235.db2.gz RIGCUBIPMUYMCB-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001491356738 1084253678 /nfs/dbraw/zinc/25/36/78/1084253678.db2.gz SSIVCGDJLWZLLF-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP CCn1ccnc1CN1CC[C@H]2C[N@H+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422014 /nfs/dbraw/zinc/42/20/14/1084422014.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 1 315.465 2.351 20 30 DEEDMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422018 /nfs/dbraw/zinc/42/20/18/1084422018.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 1 315.465 2.351 20 30 DEEDMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422023 /nfs/dbraw/zinc/42/20/23/1084422023.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 1 315.465 2.351 20 30 DEEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422027 /nfs/dbraw/zinc/42/20/27/1084422027.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 1 315.465 2.351 20 30 DEEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](CCCC#N)C[C@H]2CC1 ZINC001277943247 1084422029 /nfs/dbraw/zinc/42/20/29/1084422029.db2.gz PXXRXZOYNJTGEA-CALCHBBNSA-N 2 1 315.465 2.351 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235511802 1084451640 /nfs/dbraw/zinc/45/16/40/1084451640.db2.gz HABIOQMGSMSZOJ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235511802 1084451646 /nfs/dbraw/zinc/45/16/46/1084451646.db2.gz HABIOQMGSMSZOJ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235511802 1084451650 /nfs/dbraw/zinc/45/16/50/1084451650.db2.gz HABIOQMGSMSZOJ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236024566 1084592184 /nfs/dbraw/zinc/59/21/84/1084592184.db2.gz RSQLZDVLOFNTPD-HPFXQQBRSA-N 2 1 308.466 2.287 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030678 1085153515 /nfs/dbraw/zinc/15/35/15/1085153515.db2.gz UWGSAMSRHKMUME-UOAXPGHYSA-N 2 1 317.477 2.206 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000964034596 1085155106 /nfs/dbraw/zinc/15/51/06/1085155106.db2.gz KSXOYAFVPKLRRI-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000960303953 1085189008 /nfs/dbraw/zinc/18/90/08/1085189008.db2.gz KJYNHQPNPSADDF-LSBZLQRGSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001486435956 1085310454 /nfs/dbraw/zinc/31/04/54/1085310454.db2.gz TWIXKDLLROTBQC-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001486518853 1085402190 /nfs/dbraw/zinc/40/21/90/1085402190.db2.gz AAJUDANPTALAOY-KRWDZBQOSA-N 2 1 307.482 2.287 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000963338199 1086414870 /nfs/dbraw/zinc/41/48/70/1086414870.db2.gz SMFSQVPMGGMCMX-RDHHWEPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357657 1086423995 /nfs/dbraw/zinc/42/39/95/1086423995.db2.gz KQTMVGUQGVLEQN-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000963907147 1086594309 /nfs/dbraw/zinc/59/43/09/1086594309.db2.gz AWDWUZFEUKHDOC-KLAILNCOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001276325748 1089000851 /nfs/dbraw/zinc/00/08/51/1089000851.db2.gz BKBKWLRHPHFRCS-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114629292 1089485912 /nfs/dbraw/zinc/48/59/12/1089485912.db2.gz DKJJDOAFFOYYIP-VQFNDLOPSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001082698729 1090053568 /nfs/dbraw/zinc/05/35/68/1090053568.db2.gz YBRMCZDITHXANW-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001273426634 1091348392 /nfs/dbraw/zinc/34/83/92/1091348392.db2.gz CKDAAJSPQLYKOA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001273426634 1091348405 /nfs/dbraw/zinc/34/84/05/1091348405.db2.gz CKDAAJSPQLYKOA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001273426634 1091348416 /nfs/dbraw/zinc/34/84/16/1091348416.db2.gz CKDAAJSPQLYKOA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001274959563 1091493654 /nfs/dbraw/zinc/49/36/54/1091493654.db2.gz ZXNBRZROVZGEHX-FGTMMUONSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001276070853 1091507567 /nfs/dbraw/zinc/50/75/67/1091507567.db2.gz OJNZTSBYRLMBJX-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001275003966 1091511453 /nfs/dbraw/zinc/51/14/53/1091511453.db2.gz HMFUZIANPZZJBA-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557446 1091546005 /nfs/dbraw/zinc/54/60/05/1091546005.db2.gz GWRAUUUAHYIQHK-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001273802410 1092063673 /nfs/dbraw/zinc/06/36/73/1092063673.db2.gz XWVJNQRXYBOGCJ-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001488960243 1092828914 /nfs/dbraw/zinc/82/89/14/1092828914.db2.gz GUFHTUGTQXEJRJ-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001489053725 1092912175 /nfs/dbraw/zinc/91/21/75/1092912175.db2.gz WNKZFVAGXVHARK-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001490282399 1093275428 /nfs/dbraw/zinc/27/54/28/1093275428.db2.gz VTGZYIDPURYQKS-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278250155 1138857942 /nfs/dbraw/zinc/85/79/42/1138857942.db2.gz IPOFDFXDYKCVAT-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCC1 ZINC001278274799 1138871261 /nfs/dbraw/zinc/87/12/61/1138871261.db2.gz LPJFSFKICHOLRY-MRXNPFEDSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CCCC1 ZINC001278289117 1138964443 /nfs/dbraw/zinc/96/44/43/1138964443.db2.gz OPZQOZQNFAGMFR-HKUYNNGSSA-N 2 1 319.493 2.313 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001318996161 1140488059 /nfs/dbraw/zinc/48/80/59/1140488059.db2.gz OKJUQYFPCZBITC-KRWDZBQOSA-N 2 1 301.434 2.063 20 30 DEEDMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319859851 1140770622 /nfs/dbraw/zinc/77/06/22/1140770622.db2.gz CBWGDGPRWLPOLC-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319859849 1140771446 /nfs/dbraw/zinc/77/14/46/1140771446.db2.gz CBWGDGPRWLPOLC-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001278432659 1140864817 /nfs/dbraw/zinc/86/48/17/1140864817.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001278432659 1140864819 /nfs/dbraw/zinc/86/48/19/1140864819.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001278432659 1140864821 /nfs/dbraw/zinc/86/48/21/1140864821.db2.gz GSJLJRIOXITBJO-PBHICJAKSA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCO[C@@H]1CC[N@H+](CC[C@H](C)[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320899691 1140980030 /nfs/dbraw/zinc/98/00/30/1140980030.db2.gz VDQFGWBAGHPHFF-KSZLIROESA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320899691 1140980040 /nfs/dbraw/zinc/98/00/40/1140980040.db2.gz VDQFGWBAGHPHFF-KSZLIROESA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320899691 1140980048 /nfs/dbraw/zinc/98/00/48/1140980048.db2.gz VDQFGWBAGHPHFF-KSZLIROESA-N 2 1 308.466 2.319 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321107988 1141055139 /nfs/dbraw/zinc/05/51/39/1141055139.db2.gz DAECNQPPWZMMNE-OVNWPICBSA-N 2 1 311.857 2.018 20 30 DEEDMP N#C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246903891 1141113765 /nfs/dbraw/zinc/11/37/65/1141113765.db2.gz CGVFVNNZNJTLBZ-JEVOJNTISA-N 2 1 312.461 2.403 20 30 DEEDMP C=CC[C@H]([NH3+])c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001247962967 1141648955 /nfs/dbraw/zinc/64/89/55/1141648955.db2.gz GVCWNSOEOQACNH-AWEZNQCLSA-N 2 1 313.405 2.064 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001323460501 1141855601 /nfs/dbraw/zinc/85/56/01/1141855601.db2.gz XOSRQLFVLIFTGI-INIZCTEOSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324286663 1142048942 /nfs/dbraw/zinc/04/89/42/1142048942.db2.gz RPAPELFLPQBGAD-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001324332818 1142056908 /nfs/dbraw/zinc/05/69/08/1142056908.db2.gz CPOJDCSNPIEJDI-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001324332820 1142056986 /nfs/dbraw/zinc/05/69/86/1142056986.db2.gz CPOJDCSNPIEJDI-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CCC2)CC1 ZINC001324440018 1142077901 /nfs/dbraw/zinc/07/79/01/1142077901.db2.gz PSVPNSSIQXNVFT-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552198 1142760168 /nfs/dbraw/zinc/76/01/68/1142760168.db2.gz HSHMSPKMIOHUJF-OTWHNJEPSA-N 2 1 300.446 2.296 20 30 DEEDMP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552198 1142760176 /nfs/dbraw/zinc/76/01/76/1142760176.db2.gz HSHMSPKMIOHUJF-OTWHNJEPSA-N 2 1 300.446 2.296 20 30 DEEDMP C=C[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552198 1142760191 /nfs/dbraw/zinc/76/01/91/1142760191.db2.gz HSHMSPKMIOHUJF-OTWHNJEPSA-N 2 1 300.446 2.296 20 30 DEEDMP N#C[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930135 1142831328 /nfs/dbraw/zinc/83/13/28/1142831328.db2.gz NXYXSGPBCZIKIX-MJGOQNOKSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930135 1142831330 /nfs/dbraw/zinc/83/13/30/1142831330.db2.gz NXYXSGPBCZIKIX-MJGOQNOKSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252930135 1142831332 /nfs/dbraw/zinc/83/13/32/1142831332.db2.gz NXYXSGPBCZIKIX-MJGOQNOKSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252930135 1142831334 /nfs/dbraw/zinc/83/13/34/1142831334.db2.gz NXYXSGPBCZIKIX-MJGOQNOKSA-N 2 1 313.445 2.249 20 30 DEEDMP O[C@]1(C[NH+]2CCC(S)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252928664 1142831428 /nfs/dbraw/zinc/83/14/28/1142831428.db2.gz AHCZXYOCSUSBEF-KRWDZBQOSA-N 2 1 306.475 2.018 20 30 DEEDMP O[C@]1(C[NH+]2CCC(S)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252928664 1142831430 /nfs/dbraw/zinc/83/14/30/1142831430.db2.gz AHCZXYOCSUSBEF-KRWDZBQOSA-N 2 1 306.475 2.018 20 30 DEEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587581 1142882921 /nfs/dbraw/zinc/88/29/21/1142882921.db2.gz DLVRIWQQYDNKFJ-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587581 1142882923 /nfs/dbraw/zinc/88/29/23/1142882923.db2.gz DLVRIWQQYDNKFJ-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587581 1142882928 /nfs/dbraw/zinc/88/29/28/1142882928.db2.gz DLVRIWQQYDNKFJ-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373059 1144518005 /nfs/dbraw/zinc/51/80/05/1144518005.db2.gz QWOXHEZFEADPQK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652078 1144585323 /nfs/dbraw/zinc/58/53/23/1144585323.db2.gz SECVCUVWZWBOIU-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264739209 1144602672 /nfs/dbraw/zinc/60/26/72/1144602672.db2.gz SQHIXLNGSPZLSR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264739209 1144602679 /nfs/dbraw/zinc/60/26/79/1144602679.db2.gz SQHIXLNGSPZLSR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001264739209 1144602685 /nfs/dbraw/zinc/60/26/85/1144602685.db2.gz SQHIXLNGSPZLSR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094886 1144641978 /nfs/dbraw/zinc/64/19/78/1144641978.db2.gz KZVSCCNHXSXEGP-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001265148140 1144654697 /nfs/dbraw/zinc/65/46/97/1144654697.db2.gz WXQWTLKBSFUZNA-UHFFFAOYSA-N 2 1 315.461 2.213 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001265180550 1144661741 /nfs/dbraw/zinc/66/17/41/1144661741.db2.gz WAGHFOSRECBDSY-UHFFFAOYSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265374501 1144699502 /nfs/dbraw/zinc/69/95/02/1144699502.db2.gz NTCLXELOLPTGJU-SJORKVTESA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266225311 1144816390 /nfs/dbraw/zinc/81/63/90/1144816390.db2.gz MKWPMFSQFGJLHX-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266225311 1144816391 /nfs/dbraw/zinc/81/63/91/1144816391.db2.gz MKWPMFSQFGJLHX-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001266225311 1144816392 /nfs/dbraw/zinc/81/63/92/1144816392.db2.gz MKWPMFSQFGJLHX-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266225311 1144816393 /nfs/dbraw/zinc/81/63/93/1144816393.db2.gz MKWPMFSQFGJLHX-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589712 1144825341 /nfs/dbraw/zinc/82/53/41/1144825341.db2.gz YWRSWFMYEXJBKC-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280334537 1144835879 /nfs/dbraw/zinc/83/58/79/1144835879.db2.gz ZGJDULUVYHYPCC-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001280334537 1144835880 /nfs/dbraw/zinc/83/58/80/1144835880.db2.gz ZGJDULUVYHYPCC-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001280334537 1144835881 /nfs/dbraw/zinc/83/58/81/1144835881.db2.gz ZGJDULUVYHYPCC-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001280381045 1144837505 /nfs/dbraw/zinc/83/75/05/1144837505.db2.gz FNNQHOBGOCUOAU-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001281840720 1144915914 /nfs/dbraw/zinc/91/59/14/1144915914.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001281840720 1144915917 /nfs/dbraw/zinc/91/59/17/1144915917.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281840720 1144915920 /nfs/dbraw/zinc/91/59/20/1144915920.db2.gz RKFGYWHOCCZAPZ-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001281969960 1144925133 /nfs/dbraw/zinc/92/51/33/1144925133.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001281969960 1144925134 /nfs/dbraw/zinc/92/51/34/1144925134.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001281969960 1144925135 /nfs/dbraw/zinc/92/51/35/1144925135.db2.gz XTLJMCKHYWWGRS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001282261851 1145026306 /nfs/dbraw/zinc/02/63/06/1145026306.db2.gz ZUWVYJQZXUKZQB-ABHNRTSZSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810510 1145168968 /nfs/dbraw/zinc/16/89/68/1145168968.db2.gz JQZFBCXYFAQSFG-CABCVRRESA-N 2 1 313.461 2.069 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001283702969 1145601912 /nfs/dbraw/zinc/60/19/12/1145601912.db2.gz PIMRHHSFLSJMEV-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316773872 1147596853 /nfs/dbraw/zinc/59/68/53/1147596853.db2.gz YKODSFOUUGLKNM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317115231 1147661367 /nfs/dbraw/zinc/66/13/67/1147661367.db2.gz MXUBXXZKZPEQID-IXDOHACOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317149504 1147666940 /nfs/dbraw/zinc/66/69/40/1147666940.db2.gz IYOUIPVOUKUZJU-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317502950 1147716507 /nfs/dbraw/zinc/71/65/07/1147716507.db2.gz VJXHBAIVCLRUFD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502950 1147716509 /nfs/dbraw/zinc/71/65/09/1147716509.db2.gz VJXHBAIVCLRUFD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317502950 1147716512 /nfs/dbraw/zinc/71/65/12/1147716512.db2.gz VJXHBAIVCLRUFD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317503998 1147717098 /nfs/dbraw/zinc/71/70/98/1147717098.db2.gz BIJAYLGQCXXELI-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317604883 1147731913 /nfs/dbraw/zinc/73/19/13/1147731913.db2.gz RQBOZYDMTLGKFX-UHFFFAOYSA-N 2 1 315.889 2.440 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317759930 1147749671 /nfs/dbraw/zinc/74/96/71/1147749671.db2.gz VWTYZCZWNVZXSQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317759930 1147749673 /nfs/dbraw/zinc/74/96/73/1147749673.db2.gz VWTYZCZWNVZXSQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317759930 1147749675 /nfs/dbraw/zinc/74/96/75/1147749675.db2.gz VWTYZCZWNVZXSQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317759930 1147749677 /nfs/dbraw/zinc/74/96/77/1147749677.db2.gz VWTYZCZWNVZXSQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317797452 1147753333 /nfs/dbraw/zinc/75/33/33/1147753333.db2.gz PAHWYHPYWUGSHD-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317797452 1147753334 /nfs/dbraw/zinc/75/33/34/1147753334.db2.gz PAHWYHPYWUGSHD-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317797452 1147753336 /nfs/dbraw/zinc/75/33/36/1147753336.db2.gz PAHWYHPYWUGSHD-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001317879661 1147760012 /nfs/dbraw/zinc/76/00/12/1147760012.db2.gz ITCDDSIZZRMVHD-UHFFFAOYSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001317879661 1147760014 /nfs/dbraw/zinc/76/00/14/1147760014.db2.gz ITCDDSIZZRMVHD-UHFFFAOYSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001318225263 1147801034 /nfs/dbraw/zinc/80/10/34/1147801034.db2.gz WFFBKWGYHCOSRV-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318225263 1147801038 /nfs/dbraw/zinc/80/10/38/1147801038.db2.gz WFFBKWGYHCOSRV-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318225263 1147801041 /nfs/dbraw/zinc/80/10/41/1147801041.db2.gz WFFBKWGYHCOSRV-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001368128637 1148259657 /nfs/dbraw/zinc/25/96/57/1148259657.db2.gz SSVRSCHGNGIZRO-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368128637 1148259665 /nfs/dbraw/zinc/25/96/65/1148259665.db2.gz SSVRSCHGNGIZRO-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](CC)CC1)C(C)C ZINC000079440497 185171620 /nfs/dbraw/zinc/17/16/20/185171620.db2.gz WRYVJFPRBQFPEM-KRWDZBQOSA-N 2 1 322.497 2.032 20 30 DEEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713328 529774265 /nfs/dbraw/zinc/77/42/65/529774265.db2.gz ISVBNYVSLXWVOP-RBUKOAKNSA-N 2 1 312.461 2.216 20 30 DEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000277033655 213252045 /nfs/dbraw/zinc/25/20/45/213252045.db2.gz BGRYZCHGGKBUAR-INIZCTEOSA-N 2 1 314.433 2.303 20 30 DEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083052956 355462165 /nfs/dbraw/zinc/46/21/65/355462165.db2.gz AMCGANFHKBDVBC-OAHLLOKOSA-N 2 1 304.438 2.146 20 30 DEEDMP N#Cc1cccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125260128 355811577 /nfs/dbraw/zinc/81/15/77/355811577.db2.gz NCIBHAABQXZCOJ-UHFFFAOYSA-N 2 1 308.385 2.154 20 30 DEEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110011 360704300 /nfs/dbraw/zinc/70/43/00/360704300.db2.gz JEQBSGNLFKOKBB-INIZCTEOSA-N 2 1 320.481 2.135 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001422281172 1172455807 /nfs/dbraw/zinc/45/58/07/1172455807.db2.gz VFJOLDOYCWTSDW-UHFFFAOYSA-N 2 1 324.856 2.243 20 30 DEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178521044 402507536 /nfs/dbraw/zinc/50/75/36/402507536.db2.gz JBTGPBVHTKRTDS-MRXNPFEDSA-N 2 1 316.445 2.196 20 30 DEEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NCC(C)C)CC2)oc1C ZINC000304758727 403801332 /nfs/dbraw/zinc/80/13/32/403801332.db2.gz QKGJFIHWRFHHKQ-UHFFFAOYSA-N 2 1 321.469 2.064 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)C1=O ZINC000348302972 404057886 /nfs/dbraw/zinc/05/78/86/404057886.db2.gz OFHDRSXRQTVLAJ-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364355436 404365049 /nfs/dbraw/zinc/36/50/49/404365049.db2.gz RYZXWYAMEDAACL-KRWDZBQOSA-N 2 1 306.498 2.418 20 30 DEEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424136610 405018451 /nfs/dbraw/zinc/01/84/51/405018451.db2.gz RADGFBOVDDMNML-KRWDZBQOSA-N 2 1 316.449 2.164 20 30 DEEDMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1 ZINC000580433917 405614927 /nfs/dbraw/zinc/61/49/27/405614927.db2.gz CLNMQCSZTHZIHT-MRXNPFEDSA-N 2 1 324.432 2.384 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000518169335 406129505 /nfs/dbraw/zinc/12/95/05/406129505.db2.gz RXNZUDFLDFYEPS-KRWDZBQOSA-N 2 1 322.424 2.196 20 30 DEEDMP C#C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000491523827 406611043 /nfs/dbraw/zinc/61/10/43/406611043.db2.gz HNQYFCLTPQPZKP-HOTGVXAUSA-N 2 1 302.397 2.098 20 30 DEEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000339012879 226176904 /nfs/dbraw/zinc/17/69/04/226176904.db2.gz IVYLAZQPGIPWDQ-CALCHBBNSA-N 2 1 323.481 2.128 20 30 DEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000651700933 425143915 /nfs/dbraw/zinc/14/39/15/425143915.db2.gz ZTCLGKSIQNENFO-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657875653 425412668 /nfs/dbraw/zinc/41/26/68/425412668.db2.gz NOJBHXAECOZJSW-GOSISDBHSA-N 2 1 310.482 2.448 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C(C)C ZINC000654781609 425441870 /nfs/dbraw/zinc/44/18/70/425441870.db2.gz KIGHVHARQPKJNS-IRXDYDNUSA-N 2 1 307.482 2.141 20 30 DEEDMP C=CC[C@]1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000662707893 425718963 /nfs/dbraw/zinc/71/89/63/425718963.db2.gz OHCKMQJBBOOEOT-GOSISDBHSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001369444872 1148991537 /nfs/dbraw/zinc/99/15/37/1148991537.db2.gz MWKFKWLGBFWPKZ-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955196 1149023594 /nfs/dbraw/zinc/02/35/94/1149023594.db2.gz ZPVIRMGAWGIRPT-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=C(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384371 /nfs/dbraw/zinc/38/43/71/534384371.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384379 /nfs/dbraw/zinc/38/43/79/534384379.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384385 /nfs/dbraw/zinc/38/43/85/534384385.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526644 534384392 /nfs/dbraw/zinc/38/43/92/534384392.db2.gz INMXUCIDWNMBMZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP N#CCCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200906 534651057 /nfs/dbraw/zinc/65/10/57/534651057.db2.gz KSCPEYMBCJZCOX-RTBURBONSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200906 534651062 /nfs/dbraw/zinc/65/10/62/534651062.db2.gz KSCPEYMBCJZCOX-RTBURBONSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000339200906 534651065 /nfs/dbraw/zinc/65/10/65/534651065.db2.gz KSCPEYMBCJZCOX-RTBURBONSA-N 2 1 313.445 2.371 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930300 1152494520 /nfs/dbraw/zinc/49/45/20/1152494520.db2.gz WJOGQRZEQUFGJD-UKRRQHHQSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001327491519 1148567546 /nfs/dbraw/zinc/56/75/46/1148567546.db2.gz CUYKJXIRAOIRHI-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCOCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000339013686 526770482 /nfs/dbraw/zinc/77/04/82/526770482.db2.gz ORMLETOCINRABK-CALCHBBNSA-N 2 1 310.482 2.400 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262570075 528249044 /nfs/dbraw/zinc/24/90/44/528249044.db2.gz YWGADFHHKXBXFE-HOCLYGCPSA-N 2 1 316.449 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccs1 ZINC000267376882 529070591 /nfs/dbraw/zinc/07/05/91/529070591.db2.gz ADDNGRQMKQSWQS-CYBMUJFWSA-N 2 1 308.495 2.414 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267475285 529073139 /nfs/dbraw/zinc/07/31/39/529073139.db2.gz ZECDRWOPJDLHPS-GVDBMIGSSA-N 2 1 300.450 2.006 20 30 DEEDMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187857137 529162530 /nfs/dbraw/zinc/16/25/30/529162530.db2.gz MOBOKNMRBNWGOW-UHFFFAOYSA-N 2 1 318.465 2.260 20 30 DEEDMP CCc1cccc(CC)c1NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187857137 529162532 /nfs/dbraw/zinc/16/25/32/529162532.db2.gz MOBOKNMRBNWGOW-UHFFFAOYSA-N 2 1 318.465 2.260 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330467970 1149149094 /nfs/dbraw/zinc/14/90/94/1149149094.db2.gz OBWBAKXVAQARRF-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290077 625326605 /nfs/dbraw/zinc/32/66/05/625326605.db2.gz XPXXVBUZPYDOCT-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001023585512 625333903 /nfs/dbraw/zinc/33/39/03/625333903.db2.gz GBBDNISAFRPJOQ-GJZGRUSLSA-N 2 1 316.449 2.234 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023585512 625333906 /nfs/dbraw/zinc/33/39/06/625333906.db2.gz GBBDNISAFRPJOQ-GJZGRUSLSA-N 2 1 316.449 2.234 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696940 625392813 /nfs/dbraw/zinc/39/28/13/625392813.db2.gz YZJDZMUUZUVCHC-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704502 625482748 /nfs/dbraw/zinc/48/27/48/625482748.db2.gz QTNVHDJAKMKTJK-MJGOQNOKSA-N 2 1 315.461 2.182 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502106 622746131 /nfs/dbraw/zinc/74/61/31/622746131.db2.gz CILBHKVFFZYGAG-ZOBUZTSGSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680517 622879793 /nfs/dbraw/zinc/87/97/93/622879793.db2.gz NDUSVTAZZBDLMN-JKSUJKDBSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970717636 623640274 /nfs/dbraw/zinc/64/02/74/623640274.db2.gz FNWSVJZCIFJBIS-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365187 625239504 /nfs/dbraw/zinc/23/95/04/625239504.db2.gz YZQNNRBEYHUMRO-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365187 625239506 /nfs/dbraw/zinc/23/95/06/625239506.db2.gz YZQNNRBEYHUMRO-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452055 625277479 /nfs/dbraw/zinc/27/74/79/625277479.db2.gz VTVPCWJZPQWYBY-QGZVFWFLSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518370 634507545 /nfs/dbraw/zinc/50/75/45/634507545.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518370 634507550 /nfs/dbraw/zinc/50/75/50/634507550.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518370 634507555 /nfs/dbraw/zinc/50/75/55/634507555.db2.gz RPVOQANVJUGUIN-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578871 633156794 /nfs/dbraw/zinc/15/67/94/633156794.db2.gz QFMITFHZMGOACM-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578871 633156798 /nfs/dbraw/zinc/15/67/98/633156798.db2.gz QFMITFHZMGOACM-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865809 633340343 /nfs/dbraw/zinc/34/03/43/633340343.db2.gz VQJBYTOXFKBOQM-IAGOWNOFSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865811 633340597 /nfs/dbraw/zinc/34/05/97/633340597.db2.gz VQJBYTOXFKBOQM-IRXDYDNUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996669529 633343770 /nfs/dbraw/zinc/34/37/70/633343770.db2.gz GVZZLMQXDYRTBR-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996669636 633344098 /nfs/dbraw/zinc/34/40/98/633344098.db2.gz QYPCYCWCGAFTGR-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996692793 633350813 /nfs/dbraw/zinc/35/08/13/633350813.db2.gz YFCUWHDPQPJWLM-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027442132 633795271 /nfs/dbraw/zinc/79/52/71/633795271.db2.gz BCWWTRZOXWJJKU-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027442132 633795274 /nfs/dbraw/zinc/79/52/74/633795274.db2.gz BCWWTRZOXWJJKU-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027442132 633795276 /nfs/dbraw/zinc/79/52/76/633795276.db2.gz BCWWTRZOXWJJKU-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188298 634163368 /nfs/dbraw/zinc/16/33/68/634163368.db2.gz JDXRLRFROQKIPQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998188298 634163371 /nfs/dbraw/zinc/16/33/71/634163371.db2.gz JDXRLRFROQKIPQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998188298 634163374 /nfs/dbraw/zinc/16/33/74/634163374.db2.gz JDXRLRFROQKIPQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577061 634181260 /nfs/dbraw/zinc/18/12/60/634181260.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577061 634181264 /nfs/dbraw/zinc/18/12/64/634181264.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577061 634181270 /nfs/dbraw/zinc/18/12/70/634181270.db2.gz CLYHSVHPZLJNFV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581629 634200416 /nfs/dbraw/zinc/20/04/16/634200416.db2.gz GNUZNFFNBSNAAS-KBPBESRZSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581629 634200420 /nfs/dbraw/zinc/20/04/20/634200420.db2.gz GNUZNFFNBSNAAS-KBPBESRZSA-N 2 1 301.862 2.002 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027925247 634980043 /nfs/dbraw/zinc/98/00/43/634980043.db2.gz QIWMGVOPAWWSSO-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925247 634980047 /nfs/dbraw/zinc/98/00/47/634980047.db2.gz QIWMGVOPAWWSSO-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925247 634980050 /nfs/dbraw/zinc/98/00/50/634980050.db2.gz QIWMGVOPAWWSSO-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980471748 635013382 /nfs/dbraw/zinc/01/33/82/635013382.db2.gz PDSPWTKKLUKBFD-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333783 635145607 /nfs/dbraw/zinc/14/56/07/635145607.db2.gz SGBJCVZBPYCXMF-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001000756432 635297347 /nfs/dbraw/zinc/29/73/47/635297347.db2.gz GWOWLGGLRZVCFN-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000756432 635297352 /nfs/dbraw/zinc/29/73/52/635297352.db2.gz GWOWLGGLRZVCFN-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000756432 635297355 /nfs/dbraw/zinc/29/73/55/635297355.db2.gz GWOWLGGLRZVCFN-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000945649 635344771 /nfs/dbraw/zinc/34/47/71/635344771.db2.gz JJHQLBGKIIKODD-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001001007954 635377297 /nfs/dbraw/zinc/37/72/97/635377297.db2.gz UYJULASZJJCSLL-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001079990 635401406 /nfs/dbraw/zinc/40/14/06/635401406.db2.gz JKNYRFWKEZGHIU-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001079990 635401407 /nfs/dbraw/zinc/40/14/07/635401407.db2.gz JKNYRFWKEZGHIU-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001079990 635401409 /nfs/dbraw/zinc/40/14/09/635401409.db2.gz JKNYRFWKEZGHIU-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332210 635438218 /nfs/dbraw/zinc/43/82/18/635438218.db2.gz TWIKVLWZSPTOCR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332210 635438219 /nfs/dbraw/zinc/43/82/19/635438219.db2.gz TWIKVLWZSPTOCR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332210 635438224 /nfs/dbraw/zinc/43/82/24/635438224.db2.gz TWIKVLWZSPTOCR-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001473365 635504275 /nfs/dbraw/zinc/50/42/75/635504275.db2.gz JGZVQOGFFJZZKV-GOSISDBHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521953 635521321 /nfs/dbraw/zinc/52/13/21/635521321.db2.gz LAMLUOQZKGQUJY-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848343 635691587 /nfs/dbraw/zinc/69/15/87/635691587.db2.gz KXBXYGKPURKZGD-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848343 635691591 /nfs/dbraw/zinc/69/15/91/635691591.db2.gz KXBXYGKPURKZGD-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848343 635691592 /nfs/dbraw/zinc/69/15/92/635691592.db2.gz KXBXYGKPURKZGD-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003775970 636051089 /nfs/dbraw/zinc/05/10/89/636051089.db2.gz DCGZYHBFKRQVCG-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388208 636142048 /nfs/dbraw/zinc/14/20/48/636142048.db2.gz CXYTWJVRPCHFLA-YSTOQKLRSA-N 2 1 312.457 2.237 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004203150 636222623 /nfs/dbraw/zinc/22/26/23/636222623.db2.gz HWXDHVOWZHAECQ-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595282 636342052 /nfs/dbraw/zinc/34/20/52/636342052.db2.gz QTQBMEZLPZCYSQ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595282 636342055 /nfs/dbraw/zinc/34/20/55/636342055.db2.gz QTQBMEZLPZCYSQ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595282 636342057 /nfs/dbraw/zinc/34/20/57/636342057.db2.gz QTQBMEZLPZCYSQ-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521863 636474954 /nfs/dbraw/zinc/47/49/54/636474954.db2.gz GXQVVKIMCXVIMO-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623952 636476277 /nfs/dbraw/zinc/47/62/77/636476277.db2.gz WATUGSSNJDFVJQ-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623952 636476279 /nfs/dbraw/zinc/47/62/79/636476279.db2.gz WATUGSSNJDFVJQ-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623952 636476281 /nfs/dbraw/zinc/47/62/81/636476281.db2.gz WATUGSSNJDFVJQ-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547139 636484924 /nfs/dbraw/zinc/48/49/24/636484924.db2.gz LSZMOAVABCFNAI-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779081 636646474 /nfs/dbraw/zinc/64/64/74/636646474.db2.gz FTFKCGPOFXAPPK-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779081 636646480 /nfs/dbraw/zinc/64/64/80/636646480.db2.gz FTFKCGPOFXAPPK-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005412862 636735050 /nfs/dbraw/zinc/73/50/50/636735050.db2.gz MJUCHSWCCCMSNU-UKRRQHHQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005412862 636735055 /nfs/dbraw/zinc/73/50/55/636735055.db2.gz MJUCHSWCCCMSNU-UKRRQHHQSA-N 2 1 313.873 2.002 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000894863119 637271879 /nfs/dbraw/zinc/27/18/79/637271879.db2.gz RBJXFYKCOXJIMA-SFHVURJKSA-N 2 1 323.481 2.178 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000894863119 637271881 /nfs/dbraw/zinc/27/18/81/637271881.db2.gz RBJXFYKCOXJIMA-SFHVURJKSA-N 2 1 323.481 2.178 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985429272 639395542 /nfs/dbraw/zinc/39/55/42/639395542.db2.gz NZEBDBFJVMOSSI-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985429272 639395546 /nfs/dbraw/zinc/39/55/46/639395546.db2.gz NZEBDBFJVMOSSI-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985429272 639395550 /nfs/dbraw/zinc/39/55/50/639395550.db2.gz NZEBDBFJVMOSSI-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985608567 639543923 /nfs/dbraw/zinc/54/39/23/639543923.db2.gz VLCFRZVWSZBPPB-UHFFFAOYSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000764510707 640648862 /nfs/dbraw/zinc/64/88/62/640648862.db2.gz XNYXAQCGAPVMKI-UHFFFAOYSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000764579086 640657611 /nfs/dbraw/zinc/65/76/11/640657611.db2.gz ULODRSGAVLGLDE-GOSISDBHSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989456702 641052822 /nfs/dbraw/zinc/05/28/22/641052822.db2.gz CEFBXEAFYKHYHS-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989456702 641052824 /nfs/dbraw/zinc/05/28/24/641052824.db2.gz CEFBXEAFYKHYHS-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456702 641052826 /nfs/dbraw/zinc/05/28/26/641052826.db2.gz CEFBXEAFYKHYHS-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456702 641052830 /nfs/dbraw/zinc/05/28/30/641052830.db2.gz CEFBXEAFYKHYHS-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000900719497 642451695 /nfs/dbraw/zinc/45/16/95/642451695.db2.gz BKRZJCATRMBANL-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C[C@H]1CNC(NN=CC(C)(C)C[N@@H+](C)Cc2ccccc2)=[NH+]1 ZINC000779791180 642538324 /nfs/dbraw/zinc/53/83/24/642538324.db2.gz GOXQTZNUQRUDBV-AWEZNQCLSA-N 2 1 301.438 2.068 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000791128259 643932769 /nfs/dbraw/zinc/93/27/69/643932769.db2.gz CEJMQIYFBZYKHP-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913100099 646268564 /nfs/dbraw/zinc/26/85/64/646268564.db2.gz PMWUPVBDOGKSSI-YJBOKZPZSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992118567 646859457 /nfs/dbraw/zinc/85/94/57/646859457.db2.gz OBUXRIDAXLPCSM-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992118567 646859463 /nfs/dbraw/zinc/85/94/63/646859463.db2.gz OBUXRIDAXLPCSM-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992118567 646859466 /nfs/dbraw/zinc/85/94/66/646859466.db2.gz OBUXRIDAXLPCSM-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992118567 646859470 /nfs/dbraw/zinc/85/94/70/646859470.db2.gz OBUXRIDAXLPCSM-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121391 646860753 /nfs/dbraw/zinc/86/07/53/646860753.db2.gz DCHIGRZLRVUEBO-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121391 646860759 /nfs/dbraw/zinc/86/07/59/646860759.db2.gz DCHIGRZLRVUEBO-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121391 646860761 /nfs/dbraw/zinc/86/07/61/646860761.db2.gz DCHIGRZLRVUEBO-LSTDLKDCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189919 646894826 /nfs/dbraw/zinc/89/48/26/646894826.db2.gz OASKIXOGXLOGQU-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189919 646894829 /nfs/dbraw/zinc/89/48/29/646894829.db2.gz OASKIXOGXLOGQU-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189919 646894831 /nfs/dbraw/zinc/89/48/31/646894831.db2.gz OASKIXOGXLOGQU-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282904 646927630 /nfs/dbraw/zinc/92/76/30/646927630.db2.gz JLQSFMRMBNFKOC-FUHWJXTLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992435943 647001268 /nfs/dbraw/zinc/00/12/68/647001268.db2.gz VQXUYPLWZHCRBC-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435943 647001272 /nfs/dbraw/zinc/00/12/72/647001272.db2.gz VQXUYPLWZHCRBC-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435943 647001274 /nfs/dbraw/zinc/00/12/74/647001274.db2.gz VQXUYPLWZHCRBC-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819024766 647567051 /nfs/dbraw/zinc/56/70/51/647567051.db2.gz UYSOAPOBRPZPRI-QGZVFWFLSA-N 2 1 319.405 2.258 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993528264 647690388 /nfs/dbraw/zinc/69/03/88/647690388.db2.gz KBKBXNMBSCBZGS-YJBOKZPZSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928468 647762989 /nfs/dbraw/zinc/76/29/89/647762989.db2.gz NNEZIMISYIAUHL-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000994297379 647904784 /nfs/dbraw/zinc/90/47/84/647904784.db2.gz FWTYEPPJAACZNU-GJZGRUSLSA-N 2 1 304.438 2.196 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215920 649021316 /nfs/dbraw/zinc/02/13/16/649021316.db2.gz BKHDNDJTZWFYAI-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215920 649021317 /nfs/dbraw/zinc/02/13/17/649021317.db2.gz BKHDNDJTZWFYAI-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215920 649021319 /nfs/dbraw/zinc/02/13/19/649021319.db2.gz BKHDNDJTZWFYAI-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256097 649191638 /nfs/dbraw/zinc/19/16/38/649191638.db2.gz CVTBQBBVEPOSEU-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439282 649215477 /nfs/dbraw/zinc/21/54/77/649215477.db2.gz LWPYDWNCJMXAKU-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000853598751 652576541 /nfs/dbraw/zinc/57/65/41/652576541.db2.gz WAZCCIQZTHJUET-SOLBZPMBSA-N 2 1 317.433 2.044 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000853598751 652576545 /nfs/dbraw/zinc/57/65/45/652576545.db2.gz WAZCCIQZTHJUET-SOLBZPMBSA-N 2 1 317.433 2.044 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001393788902 1157981914 /nfs/dbraw/zinc/98/19/14/1157981914.db2.gz QDTLPYVAVDXGFE-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001393788902 1157981927 /nfs/dbraw/zinc/98/19/27/1157981927.db2.gz QDTLPYVAVDXGFE-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001393788902 1157981939 /nfs/dbraw/zinc/98/19/39/1157981939.db2.gz QDTLPYVAVDXGFE-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001393788902 1157981957 /nfs/dbraw/zinc/98/19/57/1157981957.db2.gz QDTLPYVAVDXGFE-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCCCC1 ZINC000304753602 685260011 /nfs/dbraw/zinc/26/00/11/685260011.db2.gz LEPNFXVGUFZIID-KRWDZBQOSA-N 2 1 300.450 2.452 20 30 DEEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000304762419 685261017 /nfs/dbraw/zinc/26/10/17/685261017.db2.gz VRNBLHUMJRKYBT-LLVKDONJSA-N 2 1 310.829 2.417 20 30 DEEDMP [NH2+]=C(NCCc1ccccc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167211 684058451 /nfs/dbraw/zinc/05/84/51/684058451.db2.gz GYTNWDMOLKZFCS-UHFFFAOYSA-N 2 1 322.456 2.192 20 30 DEEDMP [NH2+]=C(NCCc1ccccc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000104167211 684058455 /nfs/dbraw/zinc/05/84/55/684058455.db2.gz GYTNWDMOLKZFCS-UHFFFAOYSA-N 2 1 322.456 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099462 693843269 /nfs/dbraw/zinc/84/32/69/693843269.db2.gz IWAKHCQZUIJUCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099462 693843271 /nfs/dbraw/zinc/84/32/71/693843271.db2.gz IWAKHCQZUIJUCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099462 693843274 /nfs/dbraw/zinc/84/32/74/693843274.db2.gz IWAKHCQZUIJUCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146418 693861748 /nfs/dbraw/zinc/86/17/48/693861748.db2.gz DAGYPKXPXRVVDJ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146418 693861751 /nfs/dbraw/zinc/86/17/51/693861751.db2.gz DAGYPKXPXRVVDJ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146418 693861756 /nfs/dbraw/zinc/86/17/56/693861756.db2.gz DAGYPKXPXRVVDJ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198528 693880092 /nfs/dbraw/zinc/88/00/92/693880092.db2.gz ZEDIIAHDFVRSTN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198528 693880096 /nfs/dbraw/zinc/88/00/96/693880096.db2.gz ZEDIIAHDFVRSTN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198528 693880101 /nfs/dbraw/zinc/88/01/01/693880101.db2.gz ZEDIIAHDFVRSTN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654257 687675592 /nfs/dbraw/zinc/67/55/92/687675592.db2.gz FHHSEYDLCFXSOH-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016931963 687736839 /nfs/dbraw/zinc/73/68/39/687736839.db2.gz ZFHLVXGCKUGULX-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550290 687911060 /nfs/dbraw/zinc/91/10/60/687911060.db2.gz WWIKHUDPNRARGQ-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550290 687911066 /nfs/dbraw/zinc/91/10/66/687911066.db2.gz WWIKHUDPNRARGQ-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550290 687911068 /nfs/dbraw/zinc/91/10/68/687911068.db2.gz WWIKHUDPNRARGQ-TVFCKZIOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632156 688383668 /nfs/dbraw/zinc/38/36/68/688383668.db2.gz BTRACVFSMXKWDG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC000930675309 694215846 /nfs/dbraw/zinc/21/58/46/694215846.db2.gz IOXBVVHVLIYGMA-UHFFFAOYSA-N 2 1 313.445 2.461 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001032802672 689264661 /nfs/dbraw/zinc/26/46/61/689264661.db2.gz JENGQGVQLMUQRH-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001032802672 689264663 /nfs/dbraw/zinc/26/46/63/689264663.db2.gz JENGQGVQLMUQRH-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001032802672 689264666 /nfs/dbraw/zinc/26/46/66/689264666.db2.gz JENGQGVQLMUQRH-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213520 689427545 /nfs/dbraw/zinc/42/75/45/689427545.db2.gz KLSLPDXKLCIWGF-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001033684682 689583701 /nfs/dbraw/zinc/58/37/01/689583701.db2.gz HGAJTNDFMHOIDA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033684682 689583705 /nfs/dbraw/zinc/58/37/05/689583705.db2.gz HGAJTNDFMHOIDA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033684682 689583709 /nfs/dbraw/zinc/58/37/09/689583709.db2.gz HGAJTNDFMHOIDA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926542 689663234 /nfs/dbraw/zinc/66/32/34/689663234.db2.gz FBUNTECWOOHXKV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033926542 689663237 /nfs/dbraw/zinc/66/32/37/689663237.db2.gz FBUNTECWOOHXKV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033926542 689663239 /nfs/dbraw/zinc/66/32/39/689663239.db2.gz FBUNTECWOOHXKV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251012 689782825 /nfs/dbraw/zinc/78/28/25/689782825.db2.gz USHLZYIWFWBMDC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251012 689782828 /nfs/dbraw/zinc/78/28/28/689782828.db2.gz USHLZYIWFWBMDC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251012 689782833 /nfs/dbraw/zinc/78/28/33/689782833.db2.gz USHLZYIWFWBMDC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034660510 689921192 /nfs/dbraw/zinc/92/11/92/689921192.db2.gz BYHBJJUWNSXKAY-BRWVUGGUSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877080 689961344 /nfs/dbraw/zinc/96/13/44/689961344.db2.gz NCBCHXWXJCCBPF-XGUBFFRZSA-N 2 1 313.873 2.320 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035195920 690056121 /nfs/dbraw/zinc/05/61/21/690056121.db2.gz AGJLBVAQROYFPN-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206434 690059517 /nfs/dbraw/zinc/05/95/17/690059517.db2.gz GEPXSZSMWVUEDW-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206434 690059522 /nfs/dbraw/zinc/05/95/22/690059522.db2.gz GEPXSZSMWVUEDW-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795681 690178310 /nfs/dbraw/zinc/17/83/10/690178310.db2.gz XOKGKEYTBDJVOX-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762301 690463260 /nfs/dbraw/zinc/46/32/60/690463260.db2.gz IDPRIXVVOLNQSK-RDJZCZTQSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793983 690476469 /nfs/dbraw/zinc/47/64/69/690476469.db2.gz NREZCJUGBRZRJC-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801200 690478787 /nfs/dbraw/zinc/47/87/87/690478787.db2.gz IAWCEXXWAVTWPL-GOEBONIOSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801200 690478789 /nfs/dbraw/zinc/47/87/89/690478789.db2.gz IAWCEXXWAVTWPL-GOEBONIOSA-N 2 1 317.433 2.064 20 30 DEEDMP C#CC[C@H]1CCC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762013 690493802 /nfs/dbraw/zinc/49/38/02/690493802.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762013 690493804 /nfs/dbraw/zinc/49/38/04/690493804.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762013 690493806 /nfs/dbraw/zinc/49/38/06/690493806.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878762013 690493808 /nfs/dbraw/zinc/49/38/08/690493808.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878762013 690493809 /nfs/dbraw/zinc/49/38/09/690493809.db2.gz VRNFNWZVKZBONS-ICSRJNTNSA-N 2 1 312.457 2.359 20 30 DEEDMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000931352130 694375870 /nfs/dbraw/zinc/37/58/70/694375870.db2.gz VCSNMQGGBPPHAS-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903585 690522425 /nfs/dbraw/zinc/52/24/25/690522425.db2.gz CPZDMYSMQJROMA-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239653 691064756 /nfs/dbraw/zinc/06/47/56/691064756.db2.gz UGUJNJGEXCJVCL-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390074 691095659 /nfs/dbraw/zinc/09/56/59/691095659.db2.gz UCOYFSBLTJVANM-IKGGRYGDSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416339 691102069 /nfs/dbraw/zinc/10/20/69/691102069.db2.gz VHDNEHBSBCDKTM-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848987 691292802 /nfs/dbraw/zinc/29/28/02/691292802.db2.gz MZPGJRQGVUNUQM-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041345518 691364483 /nfs/dbraw/zinc/36/44/83/691364483.db2.gz AYKNKIXIMMSMFS-HKUYNNGSSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345518 691364486 /nfs/dbraw/zinc/36/44/86/691364486.db2.gz AYKNKIXIMMSMFS-HKUYNNGSSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345518 691364490 /nfs/dbraw/zinc/36/44/90/691364490.db2.gz AYKNKIXIMMSMFS-HKUYNNGSSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377351 691369073 /nfs/dbraw/zinc/36/90/73/691369073.db2.gz AZMTZZNESNNCAS-FUHWJXTLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297553 691560408 /nfs/dbraw/zinc/56/04/08/691560408.db2.gz QMBFOCHVOCYZQS-AEFFLSMTSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630264 691861393 /nfs/dbraw/zinc/86/13/93/691861393.db2.gz UMWRUKKNKJVJOT-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585141 692001243 /nfs/dbraw/zinc/00/12/43/692001243.db2.gz NZJQUVUYFLKXJS-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951934 692060524 /nfs/dbraw/zinc/06/05/24/692060524.db2.gz KPNXZPBSRSEYSN-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951934 692060525 /nfs/dbraw/zinc/06/05/25/692060525.db2.gz KPNXZPBSRSEYSN-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949095 692061014 /nfs/dbraw/zinc/06/10/14/692061014.db2.gz XRFMPTZWGCPTHO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949095 692061015 /nfs/dbraw/zinc/06/10/15/692061015.db2.gz XRFMPTZWGCPTHO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949095 692061018 /nfs/dbraw/zinc/06/10/18/692061018.db2.gz XRFMPTZWGCPTHO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048862617 692712012 /nfs/dbraw/zinc/71/20/12/692712012.db2.gz YSCXJPUKJOFPSO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862617 692712014 /nfs/dbraw/zinc/71/20/14/692712014.db2.gz YSCXJPUKJOFPSO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048862617 692712018 /nfs/dbraw/zinc/71/20/18/692712018.db2.gz YSCXJPUKJOFPSO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049560336 692921768 /nfs/dbraw/zinc/92/17/68/692921768.db2.gz XONMCMAGCZMLNT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049560336 692921770 /nfs/dbraw/zinc/92/17/70/692921770.db2.gz XONMCMAGCZMLNT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049560336 692921771 /nfs/dbraw/zinc/92/17/71/692921771.db2.gz XONMCMAGCZMLNT-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702241 692969063 /nfs/dbraw/zinc/96/90/63/692969063.db2.gz FXRWSOSMHHCCAJ-YESZJQIVSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713553 692972568 /nfs/dbraw/zinc/97/25/68/692972568.db2.gz ZGXFRJNHUXBAJC-YESZJQIVSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760996 692991085 /nfs/dbraw/zinc/99/10/85/692991085.db2.gz FAESSFWZRITWIP-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP N#Cc1ccccc1CSCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925620976 693310395 /nfs/dbraw/zinc/31/03/95/693310395.db2.gz IZUXSDUTNOPWAF-NNPSNHGLSA-N 2 1 313.470 2.377 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764414 693614891 /nfs/dbraw/zinc/61/48/91/693614891.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764414 693614894 /nfs/dbraw/zinc/61/48/94/693614894.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764414 693614896 /nfs/dbraw/zinc/61/48/96/693614896.db2.gz OUTYQYPMJJLDMH-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001332426449 1149859341 /nfs/dbraw/zinc/85/93/41/1149859341.db2.gz DDNWNWCRGFDTMG-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001333141916 1150006495 /nfs/dbraw/zinc/00/64/95/1150006495.db2.gz QZAHEZNGBYQTAY-DAWZGUTISA-N 2 1 315.461 2.444 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC001346250649 1150959635 /nfs/dbraw/zinc/95/96/35/1150959635.db2.gz GWPPYOCPUHYLGO-QGZVFWFLSA-N 2 1 308.372 2.076 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001402894078 1162522064 /nfs/dbraw/zinc/52/20/64/1162522064.db2.gz HTLMPDIIAZTONH-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001363246926 1153292183 /nfs/dbraw/zinc/29/21/83/1153292183.db2.gz FOBMBVBFSMHHDQ-UHFFFAOYSA-N 2 1 316.493 2.490 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001399224637 1161289444 /nfs/dbraw/zinc/28/94/44/1161289444.db2.gz LBTJESHYAFIDJJ-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001400170290 1161675420 /nfs/dbraw/zinc/67/54/20/1161675420.db2.gz USXUISWUYMQEPE-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400170290 1161675423 /nfs/dbraw/zinc/67/54/23/1161675423.db2.gz USXUISWUYMQEPE-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001400170290 1161675425 /nfs/dbraw/zinc/67/54/25/1161675425.db2.gz USXUISWUYMQEPE-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001400861675 1161836741 /nfs/dbraw/zinc/83/67/41/1161836741.db2.gz XEWJYVSWXGBTDU-CABCVRRESA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425950116 1174531765 /nfs/dbraw/zinc/53/17/65/1174531765.db2.gz HJTBPZFRSROJKK-UONOGXRCSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001426203151 1174644725 /nfs/dbraw/zinc/64/47/25/1174644725.db2.gz WIJPISCFWAJDGG-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001426203151 1174644727 /nfs/dbraw/zinc/64/47/27/1174644727.db2.gz WIJPISCFWAJDGG-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001436669379 1179177548 /nfs/dbraw/zinc/17/75/48/1179177548.db2.gz OIEKNEXXEIGOKT-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001437927790 1180085737 /nfs/dbraw/zinc/08/57/37/1180085737.db2.gz GQXGGHRIZJMGNF-GJZGRUSLSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001442929511 1182801963 /nfs/dbraw/zinc/80/19/63/1182801963.db2.gz DINWDCKSVXAZKN-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001442929511 1182801964 /nfs/dbraw/zinc/80/19/64/1182801964.db2.gz DINWDCKSVXAZKN-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001442929511 1182801965 /nfs/dbraw/zinc/80/19/65/1182801965.db2.gz DINWDCKSVXAZKN-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001442929511 1182801969 /nfs/dbraw/zinc/80/19/69/1182801969.db2.gz DINWDCKSVXAZKN-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001447891847 1184925178 /nfs/dbraw/zinc/92/51/78/1184925178.db2.gz GHAFLMRMWZFQCI-CHWSQXEVSA-N 2 1 312.845 2.207 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001447994567 1185007725 /nfs/dbraw/zinc/00/77/25/1185007725.db2.gz TYVKYFZFBPVJQU-UHFFFAOYSA-N 2 1 303.878 2.153 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001448725603 1185384469 /nfs/dbraw/zinc/38/44/69/1185384469.db2.gz MQQIPMOXJODZBQ-CYBMUJFWSA-N 2 1 303.878 2.153 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199766 782524137 /nfs/dbraw/zinc/52/41/37/782524137.db2.gz QVKGTSOVHWCVDT-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001332741293 1149887274 /nfs/dbraw/zinc/88/72/74/1149887274.db2.gz VYRZZCHQKAMRIE-IRXDYDNUSA-N 2 1 307.482 2.051 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001332741293 1149887276 /nfs/dbraw/zinc/88/72/76/1149887276.db2.gz VYRZZCHQKAMRIE-IRXDYDNUSA-N 2 1 307.482 2.051 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357750 782669272 /nfs/dbraw/zinc/66/92/72/782669272.db2.gz MRFJCUFZMRPXJN-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386055 783062882 /nfs/dbraw/zinc/06/28/82/783062882.db2.gz MGQGJJJTCOVEAA-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429939 783099264 /nfs/dbraw/zinc/09/92/64/783099264.db2.gz GBHWISLUSDSHAA-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437843 783136785 /nfs/dbraw/zinc/13/67/85/783136785.db2.gz TYWBVRUITCYPJB-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552997 783170982 /nfs/dbraw/zinc/17/09/82/783170982.db2.gz YSTAZHOARAUJEO-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727193 783215589 /nfs/dbraw/zinc/21/55/89/783215589.db2.gz WEEWWWMPJPHDDZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727193 783215595 /nfs/dbraw/zinc/21/55/95/783215595.db2.gz WEEWWWMPJPHDDZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947727193 783215603 /nfs/dbraw/zinc/21/56/03/783215603.db2.gz WEEWWWMPJPHDDZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP Cc1[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1CC#N ZINC001167208277 776768392 /nfs/dbraw/zinc/76/83/92/776768392.db2.gz WVXHWLJGPQOFNF-QUCCMNQESA-N 2 1 318.424 2.434 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362766 777132918 /nfs/dbraw/zinc/13/29/18/777132918.db2.gz IUARLNBQQGTMJC-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422257 777365728 /nfs/dbraw/zinc/36/57/28/777365728.db2.gz ITCIXEFSKVWGDG-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588725 777953540 /nfs/dbraw/zinc/95/35/40/777953540.db2.gz NXSHJAYHSNEMJB-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636355 779389259 /nfs/dbraw/zinc/38/92/59/779389259.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636355 779389265 /nfs/dbraw/zinc/38/92/65/779389265.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636355 779389270 /nfs/dbraw/zinc/38/92/70/779389270.db2.gz MJEGFLHFNMCVDP-GVDBMIGSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966163 779578274 /nfs/dbraw/zinc/57/82/74/779578274.db2.gz NRIRJJLHEJVLRG-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088022837 779641932 /nfs/dbraw/zinc/64/19/32/779641932.db2.gz BEVBIBRJOOHGKN-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088022837 779641935 /nfs/dbraw/zinc/64/19/35/779641935.db2.gz BEVBIBRJOOHGKN-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088022837 779641944 /nfs/dbraw/zinc/64/19/44/779641944.db2.gz BEVBIBRJOOHGKN-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000985467096 779846678 /nfs/dbraw/zinc/84/66/78/779846678.db2.gz HQRCSKGHBVBXNL-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000985467096 779846681 /nfs/dbraw/zinc/84/66/81/779846681.db2.gz HQRCSKGHBVBXNL-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000985467096 779846683 /nfs/dbraw/zinc/84/66/83/779846683.db2.gz HQRCSKGHBVBXNL-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=C)C)C1 ZINC001088328942 779966265 /nfs/dbraw/zinc/96/62/65/779966265.db2.gz JTLRDYRFIPYEOZ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=C)C)C1 ZINC001088328942 779966267 /nfs/dbraw/zinc/96/62/67/779966267.db2.gz JTLRDYRFIPYEOZ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367150 780029164 /nfs/dbraw/zinc/02/91/64/780029164.db2.gz CNUYTDSVDBEVIN-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001088380909 780048073 /nfs/dbraw/zinc/04/80/73/780048073.db2.gz SDRKJBXKUBDKJX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088692853 780828466 /nfs/dbraw/zinc/82/84/66/780828466.db2.gz ALIMOFUAMNVCSP-IKGGRYGDSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344364 780861329 /nfs/dbraw/zinc/86/13/29/780861329.db2.gz AIFBYAWKEQDZCI-KRWDZBQOSA-N 2 1 315.461 2.351 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001091064750 790888755 /nfs/dbraw/zinc/88/87/55/790888755.db2.gz OOLVDZBXWMXNQV-AQFXKWCLSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908664 783265710 /nfs/dbraw/zinc/26/57/10/783265710.db2.gz URMKDRXJQMGDQX-YJBOKZPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948365552 783440913 /nfs/dbraw/zinc/44/09/13/783440913.db2.gz QHPSZRJTFBKSLF-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365552 783440918 /nfs/dbraw/zinc/44/09/18/783440918.db2.gz QHPSZRJTFBKSLF-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948365552 783440923 /nfs/dbraw/zinc/44/09/23/783440923.db2.gz QHPSZRJTFBKSLF-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000948448897 783469973 /nfs/dbraw/zinc/46/99/73/783469973.db2.gz KCPGYEOMUHKRLL-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000948448897 783469983 /nfs/dbraw/zinc/46/99/83/783469983.db2.gz KCPGYEOMUHKRLL-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948448897 783469984 /nfs/dbraw/zinc/46/99/84/783469984.db2.gz KCPGYEOMUHKRLL-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000948448897 783469992 /nfs/dbraw/zinc/46/99/92/783469992.db2.gz KCPGYEOMUHKRLL-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379543 784340404 /nfs/dbraw/zinc/34/04/04/784340404.db2.gz YSXUBEAQMMERIO-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379543 784340421 /nfs/dbraw/zinc/34/04/21/784340421.db2.gz YSXUBEAQMMERIO-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857080 784621795 /nfs/dbraw/zinc/62/17/95/784621795.db2.gz SLTOKWYLGGMSMK-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882154 784635409 /nfs/dbraw/zinc/63/54/09/784635409.db2.gz IPIJGWQFCHTNTO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882154 784635418 /nfs/dbraw/zinc/63/54/18/784635418.db2.gz IPIJGWQFCHTNTO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882154 784635422 /nfs/dbraw/zinc/63/54/22/784635422.db2.gz IPIJGWQFCHTNTO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000968898675 784641466 /nfs/dbraw/zinc/64/14/66/784641466.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 1 302.422 2.060 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000968898675 784641473 /nfs/dbraw/zinc/64/14/73/784641473.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 1 302.422 2.060 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000968898675 784641480 /nfs/dbraw/zinc/64/14/80/784641480.db2.gz HEYQNDITHLVMCS-RRFJBIMHSA-N 2 1 302.422 2.060 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919840 784650091 /nfs/dbraw/zinc/65/00/91/784650091.db2.gz LZAZHRBOKSYGTC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919840 784650096 /nfs/dbraw/zinc/65/00/96/784650096.db2.gz LZAZHRBOKSYGTC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919840 784650099 /nfs/dbraw/zinc/65/00/99/784650099.db2.gz LZAZHRBOKSYGTC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919840 784650101 /nfs/dbraw/zinc/65/01/01/784650101.db2.gz LZAZHRBOKSYGTC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001611 784685013 /nfs/dbraw/zinc/68/50/13/784685013.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001611 784685018 /nfs/dbraw/zinc/68/50/18/784685018.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001611 784685022 /nfs/dbraw/zinc/68/50/22/784685022.db2.gz CMKACFISMCVEPP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122592 785044640 /nfs/dbraw/zinc/04/46/40/785044640.db2.gz AVBCNVSYHLYNQW-BCDXTJNWSA-N 3 1 300.450 2.279 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008746760 785292916 /nfs/dbraw/zinc/29/29/16/785292916.db2.gz JNVDAMGWQBMJGQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008767698 785298747 /nfs/dbraw/zinc/29/87/47/785298747.db2.gz KIKMSRRQUIXJCP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767698 785298753 /nfs/dbraw/zinc/29/87/53/785298753.db2.gz KIKMSRRQUIXJCP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767698 785298761 /nfs/dbraw/zinc/29/87/61/785298761.db2.gz KIKMSRRQUIXJCP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771703 785299775 /nfs/dbraw/zinc/29/97/75/785299775.db2.gz UXPPYBNRZBGZLU-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771703 785299779 /nfs/dbraw/zinc/29/97/79/785299779.db2.gz UXPPYBNRZBGZLU-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771703 785299788 /nfs/dbraw/zinc/29/97/88/785299788.db2.gz UXPPYBNRZBGZLU-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146016 785396008 /nfs/dbraw/zinc/39/60/08/785396008.db2.gz QCXXMFPWLWMKSF-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009169511 785402234 /nfs/dbraw/zinc/40/22/34/785402234.db2.gz PGCOJTMDYSVEME-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009169511 785402237 /nfs/dbraw/zinc/40/22/37/785402237.db2.gz PGCOJTMDYSVEME-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009169511 785402239 /nfs/dbraw/zinc/40/22/39/785402239.db2.gz PGCOJTMDYSVEME-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009169511 785402242 /nfs/dbraw/zinc/40/22/42/785402242.db2.gz PGCOJTMDYSVEME-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171246870 791120306 /nfs/dbraw/zinc/12/03/06/791120306.db2.gz HOEFDSGBVKKBST-AEFFLSMTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109799165 786059108 /nfs/dbraw/zinc/05/91/08/786059108.db2.gz LTTIQDLEJVJFOL-PMPSAXMXSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109799165 786059114 /nfs/dbraw/zinc/05/91/14/786059114.db2.gz LTTIQDLEJVJFOL-PMPSAXMXSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979837 786340433 /nfs/dbraw/zinc/34/04/33/786340433.db2.gz IYYJSGASMNRKTA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113346251 786538916 /nfs/dbraw/zinc/53/89/16/786538916.db2.gz SWWAYYFTOUWXID-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001096011612 787450245 /nfs/dbraw/zinc/45/02/45/787450245.db2.gz GOIHRPKPAVQGBS-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001096011612 787450249 /nfs/dbraw/zinc/45/02/49/787450249.db2.gz GOIHRPKPAVQGBS-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001096011612 787450259 /nfs/dbraw/zinc/45/02/59/787450259.db2.gz GOIHRPKPAVQGBS-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132141215 787945761 /nfs/dbraw/zinc/94/57/61/787945761.db2.gz PRDBQICFLSYNDC-HOTGVXAUSA-N 2 1 316.449 2.063 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210583 787966084 /nfs/dbraw/zinc/96/60/84/787966084.db2.gz IGQZGBDGOYGNCQ-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541314 788118185 /nfs/dbraw/zinc/11/81/85/788118185.db2.gz CVMAMHLASMIAOY-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166303 788304889 /nfs/dbraw/zinc/30/48/89/788304889.db2.gz SIZJFLHPYMMNFY-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103351 788601606 /nfs/dbraw/zinc/60/16/06/788601606.db2.gz QESAGFJXFFMRLB-ORQFMDKSSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103351 788601610 /nfs/dbraw/zinc/60/16/10/788601610.db2.gz QESAGFJXFFMRLB-ORQFMDKSSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135584133 789403874 /nfs/dbraw/zinc/40/38/74/789403874.db2.gz KLIBJVIQOQGZJN-GJZGRUSLSA-N 2 1 306.454 2.456 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507703 789747693 /nfs/dbraw/zinc/74/76/93/789747693.db2.gz AKFDOEFHWZMOEI-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071866016 789949771 /nfs/dbraw/zinc/94/97/71/789949771.db2.gz PTJOUFUWXNKGPS-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071866016 789949775 /nfs/dbraw/zinc/94/97/75/789949775.db2.gz PTJOUFUWXNKGPS-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873448 789953106 /nfs/dbraw/zinc/95/31/06/789953106.db2.gz WNKMOCJKWLEGTQ-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996826 790004409 /nfs/dbraw/zinc/00/44/09/790004409.db2.gz VHEFUGGEBBHMEC-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085299 790045850 /nfs/dbraw/zinc/04/58/50/790045850.db2.gz QUYZAFZMVXEVFY-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072085299 790045855 /nfs/dbraw/zinc/04/58/55/790045855.db2.gz QUYZAFZMVXEVFY-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398054515 790242571 /nfs/dbraw/zinc/24/25/71/790242571.db2.gz ZBXLVBVBKGEHTF-JFIYKMOQSA-N 2 1 301.434 2.415 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398054515 790242577 /nfs/dbraw/zinc/24/25/77/790242577.db2.gz ZBXLVBVBKGEHTF-JFIYKMOQSA-N 2 1 301.434 2.415 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074695216 791267004 /nfs/dbraw/zinc/26/70/04/791267004.db2.gz NDBHXLPKOOPRLH-KKUMJFAQSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148840013 791809438 /nfs/dbraw/zinc/80/94/38/791809438.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148840013 791809442 /nfs/dbraw/zinc/80/94/42/791809442.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148840013 791809445 /nfs/dbraw/zinc/80/94/45/791809445.db2.gz XZMCKHPFEZUEPR-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957137 791864459 /nfs/dbraw/zinc/86/44/59/791864459.db2.gz FUZDTIOSQGSMFR-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185476 792506563 /nfs/dbraw/zinc/50/65/63/792506563.db2.gz BYFJEORXSPNVFO-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681409 792785495 /nfs/dbraw/zinc/78/54/95/792785495.db2.gz IDJNRLLIYPDLRP-UHFFFAOYSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461598 793168560 /nfs/dbraw/zinc/16/85/60/793168560.db2.gz KEFILOZKAZVGKK-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174441 793969333 /nfs/dbraw/zinc/96/93/33/793969333.db2.gz NLYDVLFPXNPLLU-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174441 793969339 /nfs/dbraw/zinc/96/93/39/793969339.db2.gz NLYDVLFPXNPLLU-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174441 793969343 /nfs/dbraw/zinc/96/93/43/793969343.db2.gz NLYDVLFPXNPLLU-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185951 793974498 /nfs/dbraw/zinc/97/44/98/793974498.db2.gz ZWFUDUPZKDYGHW-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426956 794088511 /nfs/dbraw/zinc/08/85/11/794088511.db2.gz UOXXJCJEQXHVQC-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528694 794231574 /nfs/dbraw/zinc/23/15/74/794231574.db2.gz JHBZSZFZZLSUQY-INIZCTEOSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185960 794414100 /nfs/dbraw/zinc/41/41/00/794414100.db2.gz RHSZCUGFJHDRMX-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177017160 794557549 /nfs/dbraw/zinc/55/75/49/794557549.db2.gz ZBIFHEIETZUMHG-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428432 794632084 /nfs/dbraw/zinc/63/20/84/794632084.db2.gz HSRXJMOFDVZDCN-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338341 794739936 /nfs/dbraw/zinc/73/99/36/794739936.db2.gz JCEQNEFUEPFHOY-DZFIZOCASA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729931 794899358 /nfs/dbraw/zinc/89/93/58/794899358.db2.gz YJVTWGSWSFBBHG-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698846 794980152 /nfs/dbraw/zinc/98/01/52/794980152.db2.gz WPSNFLUGPMKIMS-INIZCTEOSA-N 2 1 316.449 2.050 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925442 795021876 /nfs/dbraw/zinc/02/18/76/795021876.db2.gz HYVPKFQWGZAOBB-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920561 795031124 /nfs/dbraw/zinc/03/11/24/795031124.db2.gz ADTUWOZTFWWQPD-SFHVURJKSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395603 795103359 /nfs/dbraw/zinc/10/33/59/795103359.db2.gz PSULVNOSJNEJBG-INIZCTEOSA-N 2 1 318.465 2.206 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448882 795462412 /nfs/dbraw/zinc/46/24/12/795462412.db2.gz HYEZEMJVDOBXPF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448882 795462415 /nfs/dbraw/zinc/46/24/15/795462415.db2.gz HYEZEMJVDOBXPF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448882 795462418 /nfs/dbraw/zinc/46/24/18/795462418.db2.gz HYEZEMJVDOBXPF-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470997 795467378 /nfs/dbraw/zinc/46/73/78/795467378.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470997 795467383 /nfs/dbraw/zinc/46/73/83/795467383.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470997 795467387 /nfs/dbraw/zinc/46/73/87/795467387.db2.gz VEPGDOZPGAOTPK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518477 795497049 /nfs/dbraw/zinc/49/70/49/795497049.db2.gz SEESUPORYYPURQ-SFNKJDCFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120835075 795539912 /nfs/dbraw/zinc/53/99/12/795539912.db2.gz VIQXQKAMNDTETH-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125293 795607150 /nfs/dbraw/zinc/60/71/50/795607150.db2.gz XWJGCNZOPZOTTH-CRAIPNDOSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346142 795653299 /nfs/dbraw/zinc/65/32/99/795653299.db2.gz KZFUVBBPLGDEDW-ZIFCJYIRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628452 795664165 /nfs/dbraw/zinc/66/41/65/795664165.db2.gz NCTPOGOSEMKHGX-XLWKGDHDSA-N 2 1 319.493 2.310 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122106527 795726136 /nfs/dbraw/zinc/72/61/36/795726136.db2.gz LDCARUYTUKQUHD-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084463 796935374 /nfs/dbraw/zinc/93/53/74/796935374.db2.gz NSMKORKPADPTCE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084463 796935377 /nfs/dbraw/zinc/93/53/77/796935377.db2.gz NSMKORKPADPTCE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084463 796935379 /nfs/dbraw/zinc/93/53/79/796935379.db2.gz NSMKORKPADPTCE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190491575 797020971 /nfs/dbraw/zinc/02/09/71/797020971.db2.gz IQUWTLFYMDJPNY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190491575 797020980 /nfs/dbraw/zinc/02/09/80/797020980.db2.gz IQUWTLFYMDJPNY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190491575 797020987 /nfs/dbraw/zinc/02/09/87/797020987.db2.gz IQUWTLFYMDJPNY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080606 797133665 /nfs/dbraw/zinc/13/36/65/797133665.db2.gz JQHHDHZFJUIQGN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080606 797133667 /nfs/dbraw/zinc/13/36/67/797133667.db2.gz JQHHDHZFJUIQGN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080606 797133670 /nfs/dbraw/zinc/13/36/70/797133670.db2.gz JQHHDHZFJUIQGN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050325 797135081 /nfs/dbraw/zinc/13/50/81/797135081.db2.gz HBJDHAUHGZJUBU-QGZVFWFLSA-N 2 1 316.449 2.017 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019229 797305615 /nfs/dbraw/zinc/30/56/15/797305615.db2.gz VRSZPKOCFWELKD-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293306 797356229 /nfs/dbraw/zinc/35/62/29/797356229.db2.gz HRLXRDJEKYDFHN-GJZGRUSLSA-N 2 1 316.449 2.329 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569838 797586574 /nfs/dbraw/zinc/58/65/74/797586574.db2.gz FKUAOAJSKYWLEZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569838 797586576 /nfs/dbraw/zinc/58/65/76/797586576.db2.gz FKUAOAJSKYWLEZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194265252 797702181 /nfs/dbraw/zinc/70/21/81/797702181.db2.gz COLPZFQJJBOCAK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265252 797702184 /nfs/dbraw/zinc/70/21/84/797702184.db2.gz COLPZFQJJBOCAK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559818 797790252 /nfs/dbraw/zinc/79/02/52/797790252.db2.gz XNQMOVALZJTEJZ-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559818 797790255 /nfs/dbraw/zinc/79/02/55/797790255.db2.gz XNQMOVALZJTEJZ-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156305732 797970860 /nfs/dbraw/zinc/97/08/60/797970860.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305732 797970867 /nfs/dbraw/zinc/97/08/67/797970867.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305732 797970869 /nfs/dbraw/zinc/97/08/69/797970869.db2.gz GLYZYGQBNHKFAB-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319176 797973298 /nfs/dbraw/zinc/97/32/98/797973298.db2.gz PJSGTKQGVKODLH-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893494 797976257 /nfs/dbraw/zinc/97/62/57/797976257.db2.gz GWMMXVZKAQPGBF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893494 797976264 /nfs/dbraw/zinc/97/62/64/797976264.db2.gz GWMMXVZKAQPGBF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893494 797976266 /nfs/dbraw/zinc/97/62/66/797976266.db2.gz GWMMXVZKAQPGBF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195866033 797977724 /nfs/dbraw/zinc/97/77/24/797977724.db2.gz SLIWKMGREXOBBC-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641763 798082013 /nfs/dbraw/zinc/08/20/13/798082013.db2.gz PPQJWRULSJWZNS-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641763 798082016 /nfs/dbraw/zinc/08/20/16/798082016.db2.gz PPQJWRULSJWZNS-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641763 798082018 /nfs/dbraw/zinc/08/20/18/798082018.db2.gz PPQJWRULSJWZNS-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC)CC1 ZINC001157092051 798142449 /nfs/dbraw/zinc/14/24/49/798142449.db2.gz HRLPQWWUDZJJFW-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001157132189 798147890 /nfs/dbraw/zinc/14/78/90/798147890.db2.gz DTEIOOCGNOLLCH-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132189 798147897 /nfs/dbraw/zinc/14/78/97/798147897.db2.gz DTEIOOCGNOLLCH-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097374 798342297 /nfs/dbraw/zinc/34/22/97/798342297.db2.gz ANLOZRLAICHJJS-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099481 798342836 /nfs/dbraw/zinc/34/28/36/798342836.db2.gz PJZAYDAQNCZGEQ-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP Cc1c[nH+]ccc1N1CCN(c2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001158107919 798344872 /nfs/dbraw/zinc/34/48/72/798344872.db2.gz LIVIMQYNNHDKMZ-UHFFFAOYSA-N 2 1 307.401 2.486 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433976 798407717 /nfs/dbraw/zinc/40/77/17/798407717.db2.gz FLSCBYPCMVJTGO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158800515 798470782 /nfs/dbraw/zinc/47/07/82/798470782.db2.gz DUARDVDEMFUFOK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001158800515 798470784 /nfs/dbraw/zinc/47/07/84/798470784.db2.gz DUARDVDEMFUFOK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001158800515 798470786 /nfs/dbraw/zinc/47/07/86/798470786.db2.gz DUARDVDEMFUFOK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159926061 798626997 /nfs/dbraw/zinc/62/69/97/798626997.db2.gz ZGRLEFAOZNEZMW-GJZGRUSLSA-N 2 1 304.438 2.211 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787687 798740839 /nfs/dbraw/zinc/74/08/39/798740839.db2.gz PGLHDGJWDIPPJM-SFHVURJKSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569105 798781428 /nfs/dbraw/zinc/78/14/28/798781428.db2.gz CQYLEKJWROSERZ-TVFCKZIOSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465400 798864764 /nfs/dbraw/zinc/86/47/64/798864764.db2.gz LXZGNCBFJIZZHX-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465400 798864772 /nfs/dbraw/zinc/86/47/72/798864772.db2.gz LXZGNCBFJIZZHX-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699554 798915520 /nfs/dbraw/zinc/91/55/20/798915520.db2.gz UGNIEHAAOGOFFJ-ROUUACIJSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202495988 798985619 /nfs/dbraw/zinc/98/56/19/798985619.db2.gz LWSIHAWKMMXABN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413637 799094912 /nfs/dbraw/zinc/09/49/12/799094912.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413637 799094920 /nfs/dbraw/zinc/09/49/20/799094920.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413637 799094926 /nfs/dbraw/zinc/09/49/26/799094926.db2.gz DCKKBRNURRQGRC-DZFIZOCASA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415397 799584128 /nfs/dbraw/zinc/58/41/28/799584128.db2.gz ZMXVLTOQNBMCGL-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415397 799584132 /nfs/dbraw/zinc/58/41/32/799584132.db2.gz ZMXVLTOQNBMCGL-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508294 800064211 /nfs/dbraw/zinc/06/42/11/800064211.db2.gz XKZDKLCXSHCYJT-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792091 800123415 /nfs/dbraw/zinc/12/34/15/800123415.db2.gz NGVYTOMOQOPEDM-KGLIPLIRSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284932 800336350 /nfs/dbraw/zinc/33/63/50/800336350.db2.gz UGJMJKLIDJKYLX-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684020 800806655 /nfs/dbraw/zinc/80/66/55/800806655.db2.gz JSEUJEWQYUMTLX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001208352623 800962642 /nfs/dbraw/zinc/96/26/42/800962642.db2.gz JYTMYDXEKSMHPO-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001208352623 800962646 /nfs/dbraw/zinc/96/26/46/800962646.db2.gz JYTMYDXEKSMHPO-VGRIIWOTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432234 800982447 /nfs/dbraw/zinc/98/24/47/800982447.db2.gz SCGSRKRSSSEALK-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584667 801426360 /nfs/dbraw/zinc/42/63/60/801426360.db2.gz JPNNCPPYMVUDTH-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633489 801436367 /nfs/dbraw/zinc/43/63/67/801436367.db2.gz DPPISYLKLAPEOG-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230629271 801440969 /nfs/dbraw/zinc/44/09/69/801440969.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230629271 801440975 /nfs/dbraw/zinc/44/09/75/801440975.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230629271 801440980 /nfs/dbraw/zinc/44/09/80/801440980.db2.gz NDEZETUKVMUOTI-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877808 802623250 /nfs/dbraw/zinc/62/32/50/802623250.db2.gz KHFIUXAPOBSNAW-KZNAEPCWSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001227986645 803302133 /nfs/dbraw/zinc/30/21/33/803302133.db2.gz IIKQIGZYSPIJDG-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001228932522 803433158 /nfs/dbraw/zinc/43/31/58/803433158.db2.gz PFESNYOLAMOUQC-KURKYZTESA-N 2 1 319.493 2.290 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328037858 1148704515 /nfs/dbraw/zinc/70/45/15/1148704515.db2.gz DAIAQLPRTKFIDN-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001420087183 1169152809 /nfs/dbraw/zinc/15/28/09/1169152809.db2.gz MILIVWVNDDPYRM-DZGCQCFKSA-N 2 1 313.873 2.098 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001328353887 1148778315 /nfs/dbraw/zinc/77/83/15/1148778315.db2.gz HEMYYJHCLOSXCT-RDJZCZTQSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001328353887 1148778319 /nfs/dbraw/zinc/77/83/19/1148778319.db2.gz HEMYYJHCLOSXCT-RDJZCZTQSA-N 2 1 319.493 2.005 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616964 1058194362 /nfs/dbraw/zinc/19/43/62/1058194362.db2.gz WEZPFVFJIJEKJC-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616964 1058194365 /nfs/dbraw/zinc/19/43/65/1058194365.db2.gz WEZPFVFJIJEKJC-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616964 1058194370 /nfs/dbraw/zinc/19/43/70/1058194370.db2.gz WEZPFVFJIJEKJC-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C[C@@H]1C ZINC001459616964 1058194372 /nfs/dbraw/zinc/19/43/72/1058194372.db2.gz WEZPFVFJIJEKJC-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CCCC[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001461392084 1058648431 /nfs/dbraw/zinc/64/84/31/1058648431.db2.gz PVRVMWYBQSTCRP-OAHLLOKOSA-N 2 1 303.454 2.063 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001502134975 1059980576 /nfs/dbraw/zinc/98/05/76/1059980576.db2.gz DRGBKUUVUNBURW-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001502389278 1060100123 /nfs/dbraw/zinc/10/01/23/1060100123.db2.gz YZYMVDMPLHAIFM-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001502389278 1060100147 /nfs/dbraw/zinc/10/01/47/1060100147.db2.gz YZYMVDMPLHAIFM-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001502389278 1060100178 /nfs/dbraw/zinc/10/01/78/1060100178.db2.gz YZYMVDMPLHAIFM-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406878 1060116314 /nfs/dbraw/zinc/11/63/14/1060116314.db2.gz VOAITMARXMPEOZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001503023404 1060425276 /nfs/dbraw/zinc/42/52/76/1060425276.db2.gz LSTUVCMWANUGFA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001472131084 1060426266 /nfs/dbraw/zinc/42/62/66/1060426266.db2.gz LWLNPPVVHLDDCR-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001479986054 1062149223 /nfs/dbraw/zinc/14/92/23/1062149223.db2.gz CFDIURQADFGQRB-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480027606 1062208086 /nfs/dbraw/zinc/20/80/86/1062208086.db2.gz NBLJKGYSARBYMJ-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480027606 1062208104 /nfs/dbraw/zinc/20/81/04/1062208104.db2.gz NBLJKGYSARBYMJ-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001480140752 1062377706 /nfs/dbraw/zinc/37/77/06/1062377706.db2.gz GJKFJDVEPNCEFL-LUKYLMHMSA-N 2 1 307.482 2.452 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190346 1062443301 /nfs/dbraw/zinc/44/33/01/1062443301.db2.gz ZVJBHTKUQNHSTF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190230 1062443477 /nfs/dbraw/zinc/44/34/77/1062443477.db2.gz YNDVNPFPVJPCEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190230 1062443486 /nfs/dbraw/zinc/44/34/86/1062443486.db2.gz YNDVNPFPVJPCEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190230 1062443497 /nfs/dbraw/zinc/44/34/97/1062443497.db2.gz YNDVNPFPVJPCEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001506967173 1062612732 /nfs/dbraw/zinc/61/27/32/1062612732.db2.gz LWDDMYOXKQVCHQ-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001506967173 1062612741 /nfs/dbraw/zinc/61/27/41/1062612741.db2.gz LWDDMYOXKQVCHQ-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480317466 1062636728 /nfs/dbraw/zinc/63/67/28/1062636728.db2.gz VPXMRBSHKUMPFY-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480396124 1062795921 /nfs/dbraw/zinc/79/59/21/1062795921.db2.gz QZCPPOWEYVQDOE-DZVNLGKHSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001480728817 1063256320 /nfs/dbraw/zinc/25/63/20/1063256320.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480728817 1063256341 /nfs/dbraw/zinc/25/63/41/1063256341.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480728817 1063256359 /nfs/dbraw/zinc/25/63/59/1063256359.db2.gz ANMCCTSSAKVOLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001493086696 1063549557 /nfs/dbraw/zinc/54/95/57/1063549557.db2.gz UMMAIEFVKRAGCH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493086696 1063549575 /nfs/dbraw/zinc/54/95/75/1063549575.db2.gz UMMAIEFVKRAGCH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493086696 1063549584 /nfs/dbraw/zinc/54/95/84/1063549584.db2.gz UMMAIEFVKRAGCH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001493222081 1063646655 /nfs/dbraw/zinc/64/66/55/1063646655.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001493222081 1063646667 /nfs/dbraw/zinc/64/66/67/1063646667.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001493222081 1063646684 /nfs/dbraw/zinc/64/66/84/1063646684.db2.gz DHLHADDJEFNHPU-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001493268323 1063679172 /nfs/dbraw/zinc/67/91/72/1063679172.db2.gz DKSXIBDCRQSKMX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001493268323 1063679176 /nfs/dbraw/zinc/67/91/76/1063679176.db2.gz DKSXIBDCRQSKMX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493268323 1063679186 /nfs/dbraw/zinc/67/91/86/1063679186.db2.gz DKSXIBDCRQSKMX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001493268323 1063679194 /nfs/dbraw/zinc/67/91/94/1063679194.db2.gz DKSXIBDCRQSKMX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494047048 1064102334 /nfs/dbraw/zinc/10/23/34/1064102334.db2.gz GQXGGHRIZJMGNF-HUUCEWRRSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567496519 1064225295 /nfs/dbraw/zinc/22/52/95/1064225295.db2.gz NYNRVBWFOLILSE-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567727398 1064380805 /nfs/dbraw/zinc/38/08/05/1064380805.db2.gz IBJHJAKIHADKKJ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567727398 1064380822 /nfs/dbraw/zinc/38/08/22/1064380822.db2.gz IBJHJAKIHADKKJ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567727398 1064380834 /nfs/dbraw/zinc/38/08/34/1064380834.db2.gz IBJHJAKIHADKKJ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001567738825 1064392455 /nfs/dbraw/zinc/39/24/55/1064392455.db2.gz SVPCBWYJFMHRAE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738825 1064392461 /nfs/dbraw/zinc/39/24/61/1064392461.db2.gz SVPCBWYJFMHRAE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738825 1064392464 /nfs/dbraw/zinc/39/24/64/1064392464.db2.gz SVPCBWYJFMHRAE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001567738836 1064393163 /nfs/dbraw/zinc/39/31/63/1064393163.db2.gz JALNHYJKEOTOFC-QGZVFWFLSA-N 2 1 315.461 2.328 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568044492 1064615150 /nfs/dbraw/zinc/61/51/50/1064615150.db2.gz YOFYWVZHJQRCJT-MAUKXSAKSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568535573 1064946615 /nfs/dbraw/zinc/94/66/15/1064946615.db2.gz FQRVDRHVOACOAB-CVEARBPZSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001495521425 1064962800 /nfs/dbraw/zinc/96/28/00/1064962800.db2.gz VCXJJZRWPUZYAB-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1CC ZINC001569340615 1065439837 /nfs/dbraw/zinc/43/98/37/1065439837.db2.gz OUOBBIJFPPSLFV-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386856 1065484648 /nfs/dbraw/zinc/48/46/48/1065484648.db2.gz WZDXBBSGTCDAPE-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001569499968 1065548574 /nfs/dbraw/zinc/54/85/74/1065548574.db2.gz BGVKELLAHOBTTL-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569499968 1065548586 /nfs/dbraw/zinc/54/85/86/1065548586.db2.gz BGVKELLAHOBTTL-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001569696214 1065676664 /nfs/dbraw/zinc/67/66/64/1065676664.db2.gz YPGHDZPHWAQMJO-IBGZPJMESA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001569696214 1065676671 /nfs/dbraw/zinc/67/66/71/1065676671.db2.gz YPGHDZPHWAQMJO-IBGZPJMESA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569711533 1065683846 /nfs/dbraw/zinc/68/38/46/1065683846.db2.gz DWLBTAFQQUGJST-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569711533 1065683852 /nfs/dbraw/zinc/68/38/52/1065683852.db2.gz DWLBTAFQQUGJST-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569711533 1065683856 /nfs/dbraw/zinc/68/38/56/1065683856.db2.gz DWLBTAFQQUGJST-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001569921035 1065822963 /nfs/dbraw/zinc/82/29/63/1065822963.db2.gz BKMRKGYMJSSKST-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001569921035 1065822984 /nfs/dbraw/zinc/82/29/84/1065822984.db2.gz BKMRKGYMJSSKST-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001569921035 1065823003 /nfs/dbraw/zinc/82/30/03/1065823003.db2.gz BKMRKGYMJSSKST-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001570449586 1066077004 /nfs/dbraw/zinc/07/70/04/1066077004.db2.gz RNAWFJCAOLMOJT-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001497444770 1066097610 /nfs/dbraw/zinc/09/76/10/1066097610.db2.gz ODXNUUCAKMMGPS-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001498894706 1066944060 /nfs/dbraw/zinc/94/40/60/1066944060.db2.gz VHJWRLGZVOJQSN-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC001499834825 1067353558 /nfs/dbraw/zinc/35/35/58/1067353558.db2.gz KFDXUAXYTNYZHU-CABCVRRESA-N 2 1 304.438 2.278 20 30 DEEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001267151831 1078616185 /nfs/dbraw/zinc/61/61/85/1078616185.db2.gz VOXXRSQEPIZTPD-SJLPKXTDSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544293 1067997176 /nfs/dbraw/zinc/99/71/76/1067997176.db2.gz UFGNYADXIFYEMP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001640016137 1078637874 /nfs/dbraw/zinc/63/78/74/1078637874.db2.gz QRPKIYGAKMDXDU-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)C ZINC001267169503 1078633510 /nfs/dbraw/zinc/63/35/10/1078633510.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(=C)C ZINC001267169503 1078633519 /nfs/dbraw/zinc/63/35/19/1078633519.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)C ZINC001267169503 1078633528 /nfs/dbraw/zinc/63/35/28/1078633528.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=C)C ZINC001267169503 1078633533 /nfs/dbraw/zinc/63/35/33/1078633533.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=C)C ZINC001267169503 1078633536 /nfs/dbraw/zinc/63/35/36/1078633536.db2.gz QJNCFBUZIPTGHX-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCC1 ZINC001570716291 1068090874 /nfs/dbraw/zinc/09/08/74/1068090874.db2.gz PLVOOQDROVWCPC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCC1 ZINC001570716291 1068090886 /nfs/dbraw/zinc/09/08/86/1068090886.db2.gz PLVOOQDROVWCPC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC1CCC1 ZINC001570716291 1068090900 /nfs/dbraw/zinc/09/09/00/1068090900.db2.gz PLVOOQDROVWCPC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCC1 ZINC001570716291 1068090915 /nfs/dbraw/zinc/09/09/15/1068090915.db2.gz PLVOOQDROVWCPC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736014 1068102756 /nfs/dbraw/zinc/10/27/56/1068102756.db2.gz OXQFABPLAXAQHQ-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736014 1068102763 /nfs/dbraw/zinc/10/27/63/1068102763.db2.gz OXQFABPLAXAQHQ-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001570813751 1068126364 /nfs/dbraw/zinc/12/63/64/1068126364.db2.gz GMKVCQQYIBQNID-WMZOPIPTSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001267191810 1078654205 /nfs/dbraw/zinc/65/42/05/1078654205.db2.gz YZOJGULYHRSKRL-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001571129403 1068184633 /nfs/dbraw/zinc/18/46/33/1068184633.db2.gz GSHWYBYITJLKIB-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001571277159 1068208749 /nfs/dbraw/zinc/20/87/49/1068208749.db2.gz KAIGTSDOFJWZOM-HNNXBMFYSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001571504866 1068365147 /nfs/dbraw/zinc/36/51/47/1068365147.db2.gz JQIWSPCWVNVWLP-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001571504866 1068365163 /nfs/dbraw/zinc/36/51/63/1068365163.db2.gz JQIWSPCWVNVWLP-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001571504866 1068365179 /nfs/dbraw/zinc/36/51/79/1068365179.db2.gz JQIWSPCWVNVWLP-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001571666121 1068470133 /nfs/dbraw/zinc/47/01/33/1068470133.db2.gz XSMDJZXTVUHZGU-IUDNXUCKSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282703 1078729613 /nfs/dbraw/zinc/72/96/13/1078729613.db2.gz SEIQBCRPBXEESW-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C#C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccc(Cl)cc1F ZINC001574503840 1069232242 /nfs/dbraw/zinc/23/22/42/1069232242.db2.gz DNNXVBVDNDAOHM-MRXNPFEDSA-N 2 1 309.816 2.166 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001481050580 1079126657 /nfs/dbraw/zinc/12/66/57/1079126657.db2.gz QDMAXYVGKGGMHO-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001483863050 1079157243 /nfs/dbraw/zinc/15/72/43/1079157243.db2.gz KRGJOPATNHHIDB-RDJZCZTQSA-N 2 1 307.482 2.357 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997331 1079230795 /nfs/dbraw/zinc/23/07/95/1079230795.db2.gz WJSRGGWFHMLMRQ-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001484001625 1079237267 /nfs/dbraw/zinc/23/72/67/1079237267.db2.gz QESBCDMXSGIOPH-DJIMGWMZSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1CC ZINC001566027645 1075218355 /nfs/dbraw/zinc/21/83/55/1075218355.db2.gz SPTIZKAVORITNM-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001566122343 1075231721 /nfs/dbraw/zinc/23/17/21/1075231721.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566122343 1075231723 /nfs/dbraw/zinc/23/17/23/1075231723.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566122343 1075231727 /nfs/dbraw/zinc/23/17/27/1075231727.db2.gz UKZPGSOKADCMDC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001566735747 1075329250 /nfs/dbraw/zinc/32/92/50/1075329250.db2.gz KGZDIJDVBHXAEH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566735747 1075329253 /nfs/dbraw/zinc/32/92/53/1075329253.db2.gz KGZDIJDVBHXAEH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001566735747 1075329255 /nfs/dbraw/zinc/32/92/55/1075329255.db2.gz KGZDIJDVBHXAEH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001566755472 1075335798 /nfs/dbraw/zinc/33/57/98/1075335798.db2.gz HUHVFHSKWNQHGC-NCOADZHNSA-N 2 1 307.482 2.357 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566794602 1075346964 /nfs/dbraw/zinc/34/69/64/1075346964.db2.gz IANHHHADZPGELL-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001566841860 1075358394 /nfs/dbraw/zinc/35/83/94/1075358394.db2.gz IJZTWRONWMDSMF-NXOAAHMSSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001566854936 1075363222 /nfs/dbraw/zinc/36/32/22/1075363222.db2.gz UAQPLBMYEGXMAR-VVLHAWIVSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566940659 1075394562 /nfs/dbraw/zinc/39/45/62/1075394562.db2.gz NAQSGMUQEHXOPA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567264047 1075480248 /nfs/dbraw/zinc/48/02/48/1075480248.db2.gz AOAGJFPZOPVNRW-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001484401093 1079592153 /nfs/dbraw/zinc/59/21/53/1079592153.db2.gz FXQCDNQSEBJPPX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001267942081 1079622708 /nfs/dbraw/zinc/62/27/08/1079622708.db2.gz ACQIIPRAJUUXSE-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484742677 1079760996 /nfs/dbraw/zinc/76/09/96/1079760996.db2.gz KLTUJHACGXPRMN-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001481461881 1079906917 /nfs/dbraw/zinc/90/69/17/1079906917.db2.gz KLRRPZUUBBGCFU-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001481461881 1079906924 /nfs/dbraw/zinc/90/69/24/1079906924.db2.gz KLRRPZUUBBGCFU-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481461881 1079906930 /nfs/dbraw/zinc/90/69/30/1079906930.db2.gz KLRRPZUUBBGCFU-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481461881 1079906937 /nfs/dbraw/zinc/90/69/37/1079906937.db2.gz KLRRPZUUBBGCFU-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485065406 1079942792 /nfs/dbraw/zinc/94/27/92/1079942792.db2.gz KAPDIHMFUAMSEL-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001485065406 1079942795 /nfs/dbraw/zinc/94/27/95/1079942795.db2.gz KAPDIHMFUAMSEL-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001485237711 1080083442 /nfs/dbraw/zinc/08/34/42/1080083442.db2.gz UKZBEODZSMCNHF-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481604918 1080129424 /nfs/dbraw/zinc/12/94/24/1080129424.db2.gz QNAYYFPNWUZZBT-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001272699307 1080165233 /nfs/dbraw/zinc/16/52/33/1080165233.db2.gz GOBHCFUYGSBPJE-GOSISDBHSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001268221498 1080205934 /nfs/dbraw/zinc/20/59/34/1080205934.db2.gz CTKZTKUSBANJCY-SJORKVTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001485437655 1080207190 /nfs/dbraw/zinc/20/71/90/1080207190.db2.gz JKFXOVUDMNJGTP-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001658524430 1080210006 /nfs/dbraw/zinc/21/00/06/1080210006.db2.gz WGIMBQPNVJIQQB-NEWSRXKRSA-N 2 1 300.446 2.403 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001658524430 1080210012 /nfs/dbraw/zinc/21/00/12/1080210012.db2.gz WGIMBQPNVJIQQB-NEWSRXKRSA-N 2 1 300.446 2.403 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268283057 1080261710 /nfs/dbraw/zinc/26/17/10/1080261710.db2.gz UULGINAQZODAMZ-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001481670319 1080280433 /nfs/dbraw/zinc/28/04/33/1080280433.db2.gz FPSVDAGNZAGNRQ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001481670319 1080280443 /nfs/dbraw/zinc/28/04/43/1080280443.db2.gz FPSVDAGNZAGNRQ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001481670319 1080280453 /nfs/dbraw/zinc/28/04/53/1080280453.db2.gz FPSVDAGNZAGNRQ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001485698501 1080382193 /nfs/dbraw/zinc/38/21/93/1080382193.db2.gz PSQLSINADKLLSI-SHTZXODSSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481735682 1080407073 /nfs/dbraw/zinc/40/70/73/1080407073.db2.gz QGUJINRYICBSIY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481735682 1080407077 /nfs/dbraw/zinc/40/70/77/1080407077.db2.gz QGUJINRYICBSIY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481735682 1080407079 /nfs/dbraw/zinc/40/70/79/1080407079.db2.gz QGUJINRYICBSIY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001272701369 1080444842 /nfs/dbraw/zinc/44/48/42/1080444842.db2.gz WANFPONRMOUNFH-NVXWUHKLSA-N 2 1 315.461 2.481 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001661142343 1080447526 /nfs/dbraw/zinc/44/75/26/1080447526.db2.gz JPSVIDAXAQTTGO-IAGOWNOFSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481781478 1080500851 /nfs/dbraw/zinc/50/08/51/1080500851.db2.gz DUEVZBSNORBLQZ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001661724450 1080512975 /nfs/dbraw/zinc/51/29/75/1080512975.db2.gz VNCVORBCIUHUMR-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036659 1080552052 /nfs/dbraw/zinc/55/20/52/1080552052.db2.gz OPGZDXXLUBWHKL-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001663777429 1080815020 /nfs/dbraw/zinc/81/50/20/1080815020.db2.gz LLGJOQAPWYCZAC-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001663777429 1080815023 /nfs/dbraw/zinc/81/50/23/1080815023.db2.gz LLGJOQAPWYCZAC-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001664510819 1080919235 /nfs/dbraw/zinc/91/92/35/1080919235.db2.gz YSJYKEYBFPZVAC-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664683469 1080940768 /nfs/dbraw/zinc/94/07/68/1080940768.db2.gz JMDVYQRMYSOSCU-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001664686634 1080942277 /nfs/dbraw/zinc/94/22/77/1080942277.db2.gz MKIKNFOZKOOZPY-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664754422 1080955209 /nfs/dbraw/zinc/95/52/09/1080955209.db2.gz CBKINIWEDLQZJE-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001665928116 1081098372 /nfs/dbraw/zinc/09/83/72/1081098372.db2.gz CXDPBSHGCLJQMS-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001269187540 1081157908 /nfs/dbraw/zinc/15/79/08/1081157908.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001269187540 1081157909 /nfs/dbraw/zinc/15/79/09/1081157909.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001269187540 1081157911 /nfs/dbraw/zinc/15/79/11/1081157911.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269187540 1081157913 /nfs/dbraw/zinc/15/79/13/1081157913.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269187540 1081157914 /nfs/dbraw/zinc/15/79/14/1081157914.db2.gz SKHRUDPBOGUMIK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269339309 1081220329 /nfs/dbraw/zinc/22/03/29/1081220329.db2.gz LNEZXCFMEYKVTD-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269339309 1081220335 /nfs/dbraw/zinc/22/03/35/1081220335.db2.gz LNEZXCFMEYKVTD-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001482232589 1081297855 /nfs/dbraw/zinc/29/78/55/1081297855.db2.gz MMOWDSZKXOKAMJ-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269743205 1081354044 /nfs/dbraw/zinc/35/40/44/1081354044.db2.gz YSVCGZZVKCGWDW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269743205 1081354049 /nfs/dbraw/zinc/35/40/49/1081354049.db2.gz YSVCGZZVKCGWDW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269743205 1081354053 /nfs/dbraw/zinc/35/40/53/1081354053.db2.gz YSVCGZZVKCGWDW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001493206130 1081361322 /nfs/dbraw/zinc/36/13/22/1081361322.db2.gz DVXBPYMFXZZPDO-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001493206130 1081361328 /nfs/dbraw/zinc/36/13/28/1081361328.db2.gz DVXBPYMFXZZPDO-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001493206130 1081361334 /nfs/dbraw/zinc/36/13/34/1081361334.db2.gz DVXBPYMFXZZPDO-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001668994907 1081416965 /nfs/dbraw/zinc/41/69/65/1081416965.db2.gz CUMKIFNLEIRDFT-LKGOPFMKSA-N 2 1 317.477 2.069 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001270024772 1081430243 /nfs/dbraw/zinc/43/02/43/1081430243.db2.gz JVVMDKXEVTYINX-TVFCKZIOSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001280163754 1081451100 /nfs/dbraw/zinc/45/11/00/1081451100.db2.gz KUEFRICRHUAWMP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669974329 1081485511 /nfs/dbraw/zinc/48/55/11/1081485511.db2.gz UDKCZPKVADYQFS-HOTGVXAUSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270249824 1081485913 /nfs/dbraw/zinc/48/59/13/1081485913.db2.gz LHZOTXKBUZTWBI-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001270458048 1081530561 /nfs/dbraw/zinc/53/05/61/1081530561.db2.gz JMZWVCNIHOUFDD-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001671698068 1081534367 /nfs/dbraw/zinc/53/43/67/1081534367.db2.gz AGVPLOUJJQGUOE-QGZVFWFLSA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001671842784 1081542426 /nfs/dbraw/zinc/54/24/26/1081542426.db2.gz NRJBHQOBASUXRL-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001672315324 1081582629 /nfs/dbraw/zinc/58/26/29/1081582629.db2.gz KENUHARKEBJPOA-CVEARBPZSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001673202034 1081745877 /nfs/dbraw/zinc/74/58/77/1081745877.db2.gz PUGHMGOBYQIJBT-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001673954001 1081817888 /nfs/dbraw/zinc/81/78/88/1081817888.db2.gz YIERWJULRYUCCY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001270987006 1081867004 /nfs/dbraw/zinc/86/70/04/1081867004.db2.gz NMQINGLAGWZMFT-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506237 1081885188 /nfs/dbraw/zinc/88/51/88/1081885188.db2.gz WDRUFLYUHGITOR-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266363157 1082000615 /nfs/dbraw/zinc/00/06/15/1082000615.db2.gz FMUQNFRVXZCLQS-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001271717913 1082118244 /nfs/dbraw/zinc/11/82/44/1082118244.db2.gz YAYOTEAQWGSENJ-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482495843 1082121092 /nfs/dbraw/zinc/12/10/92/1082121092.db2.gz SWHLRFKYIVKTST-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001271771832 1082150753 /nfs/dbraw/zinc/15/07/53/1082150753.db2.gz ADRLKAUUFPEYLI-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473316 1083420977 /nfs/dbraw/zinc/42/09/77/1083420977.db2.gz NQEJVOXOIDIAET-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473316 1083420983 /nfs/dbraw/zinc/42/09/83/1083420983.db2.gz NQEJVOXOIDIAET-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567585 1083487105 /nfs/dbraw/zinc/48/71/05/1083487105.db2.gz ACIXJWBTWQWNNB-IEBWSBKVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107616130 1083523737 /nfs/dbraw/zinc/52/37/37/1083523737.db2.gz VBFCTWPPUHWGGF-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616130 1083523746 /nfs/dbraw/zinc/52/37/46/1083523746.db2.gz VBFCTWPPUHWGGF-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616130 1083523756 /nfs/dbraw/zinc/52/37/56/1083523756.db2.gz VBFCTWPPUHWGGF-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646783 1083562905 /nfs/dbraw/zinc/56/29/05/1083562905.db2.gz WBAJPPDUNLUOHW-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646783 1083562914 /nfs/dbraw/zinc/56/29/14/1083562914.db2.gz WBAJPPDUNLUOHW-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646783 1083562925 /nfs/dbraw/zinc/56/29/25/1083562925.db2.gz WBAJPPDUNLUOHW-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276888131 1083665038 /nfs/dbraw/zinc/66/50/38/1083665038.db2.gz USVHZAIFKFQGCG-QAPCUYQASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277382312 1083935618 /nfs/dbraw/zinc/93/56/18/1083935618.db2.gz JWVGLXJDUBHWSG-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339670 1083947399 /nfs/dbraw/zinc/94/73/99/1083947399.db2.gz JVWKKJZNCWFHAN-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284280 1084208159 /nfs/dbraw/zinc/20/81/59/1084208159.db2.gz RPDUUUDTNQPKIX-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297734 1084217203 /nfs/dbraw/zinc/21/72/03/1084217203.db2.gz JAYADEJDABIJLH-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297734 1084217208 /nfs/dbraw/zinc/21/72/08/1084217208.db2.gz JAYADEJDABIJLH-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC#N)cc1C#N ZINC001277942808 1084418056 /nfs/dbraw/zinc/41/80/56/1084418056.db2.gz FHNUDZRJARGVTB-ALOPSCKCSA-N 2 1 311.433 2.286 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425474 1084426113 /nfs/dbraw/zinc/42/61/13/1084426113.db2.gz LHQGLVJNHZQJPV-SJORKVTESA-N 2 1 323.481 2.343 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888409 1084428191 /nfs/dbraw/zinc/42/81/91/1084428191.db2.gz XZOQVANBIDMWPS-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP N#CCCCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277952310 1084463478 /nfs/dbraw/zinc/46/34/78/1084463478.db2.gz XCMYDQKBSLAROH-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCCC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277952310 1084463481 /nfs/dbraw/zinc/46/34/81/1084463481.db2.gz XCMYDQKBSLAROH-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCCC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277952310 1084463484 /nfs/dbraw/zinc/46/34/84/1084463484.db2.gz XCMYDQKBSLAROH-SFHVURJKSA-N 2 1 315.465 2.365 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726792 1084832370 /nfs/dbraw/zinc/83/23/70/1084832370.db2.gz XZNRLONQDIGKKJ-CVEARBPZSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739030 1084852910 /nfs/dbraw/zinc/85/29/10/1084852910.db2.gz KQSWQMGFPNQTBB-GJZGRUSLSA-N 2 1 316.449 2.210 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001486156126 1085097713 /nfs/dbraw/zinc/09/77/13/1085097713.db2.gz TWGXRKOLMNARKP-AEFFLSMTSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001486380684 1085255676 /nfs/dbraw/zinc/25/56/76/1085255676.db2.gz PWFXJGVYLKSAJJ-UHFFFAOYSA-N 2 1 315.461 2.164 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181314 1085626428 /nfs/dbraw/zinc/62/64/28/1085626428.db2.gz JDAPGCMIWHGABT-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181314 1085626432 /nfs/dbraw/zinc/62/64/32/1085626432.db2.gz JDAPGCMIWHGABT-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181314 1085626437 /nfs/dbraw/zinc/62/64/37/1085626437.db2.gz JDAPGCMIWHGABT-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357658 1086424420 /nfs/dbraw/zinc/42/44/20/1086424420.db2.gz KQTMVGUQGVLEQN-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000963825492 1086568215 /nfs/dbraw/zinc/56/82/15/1086568215.db2.gz PHNSCUGKJAMFAQ-WWDZGPRUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603054 1088450002 /nfs/dbraw/zinc/45/00/02/1088450002.db2.gz MNOAWIOWGGSEDQ-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832021 1088919211 /nfs/dbraw/zinc/91/92/11/1088919211.db2.gz JVKILWGHUUTAFI-IMBTUZDBSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114832021 1088919221 /nfs/dbraw/zinc/91/92/21/1088919221.db2.gz JVKILWGHUUTAFI-IMBTUZDBSA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832021 1088919245 /nfs/dbraw/zinc/91/92/45/1088919245.db2.gz JVKILWGHUUTAFI-IMBTUZDBSA-N 2 1 321.509 2.488 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC001084963263 1090547060 /nfs/dbraw/zinc/54/70/60/1090547060.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21 ZINC001084963263 1090547066 /nfs/dbraw/zinc/54/70/66/1090547066.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21 ZINC001084963263 1090547070 /nfs/dbraw/zinc/54/70/70/1090547070.db2.gz IMSOMTTZLPYRNL-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001274959507 1091493495 /nfs/dbraw/zinc/49/34/95/1091493495.db2.gz YJVPHMQLLCGVIL-OKZBNKHCSA-N 2 1 317.477 2.112 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001275150796 1091587364 /nfs/dbraw/zinc/58/73/64/1091587364.db2.gz NTLNZALYEIBQIA-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001275150796 1091587371 /nfs/dbraw/zinc/58/73/71/1091587371.db2.gz NTLNZALYEIBQIA-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001275150796 1091587380 /nfs/dbraw/zinc/58/73/80/1091587380.db2.gz NTLNZALYEIBQIA-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001275912244 1092296822 /nfs/dbraw/zinc/29/68/22/1092296822.db2.gz KHKAYZASCKXCMS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275912244 1092296832 /nfs/dbraw/zinc/29/68/32/1092296832.db2.gz KHKAYZASCKXCMS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001275912244 1092296842 /nfs/dbraw/zinc/29/68/42/1092296842.db2.gz KHKAYZASCKXCMS-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493163227 1093279099 /nfs/dbraw/zinc/27/90/99/1093279099.db2.gz UDRXZVDKGINXNZ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732242 1138216304 /nfs/dbraw/zinc/21/63/04/1138216304.db2.gz AZPWBUJURDPFKL-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001691732242 1138216310 /nfs/dbraw/zinc/21/63/10/1138216310.db2.gz AZPWBUJURDPFKL-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001691732242 1138216314 /nfs/dbraw/zinc/21/63/14/1138216314.db2.gz AZPWBUJURDPFKL-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001691745902 1138293377 /nfs/dbraw/zinc/29/33/77/1138293377.db2.gz VZIDSBKCXOKOIO-MHORFTMASA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281974662 1139831907 /nfs/dbraw/zinc/83/19/07/1139831907.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974662 1139831908 /nfs/dbraw/zinc/83/19/08/1139831908.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974662 1139831911 /nfs/dbraw/zinc/83/19/11/1139831911.db2.gz GKJPHYYOIJTEOG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001319378883 1140560188 /nfs/dbraw/zinc/56/01/88/1140560188.db2.gz IHYHODDIXCYPGT-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001319394159 1140561940 /nfs/dbraw/zinc/56/19/40/1140561940.db2.gz CGKCWWAMYIHVOR-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319649030 1140638242 /nfs/dbraw/zinc/63/82/42/1140638242.db2.gz UPDOPMGUSWWPSQ-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001319693334 1140666873 /nfs/dbraw/zinc/66/68/73/1140666873.db2.gz BPQFVBIJBXWIGP-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP N#Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246441559 1140899566 /nfs/dbraw/zinc/89/95/66/1140899566.db2.gz IYRQADKZAAWPLE-GUDVDZBRSA-N 3 1 312.461 2.382 20 30 DEEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001246441559 1140899568 /nfs/dbraw/zinc/89/95/68/1140899568.db2.gz IYRQADKZAAWPLE-GUDVDZBRSA-N 3 1 312.461 2.382 20 30 DEEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001320888870 1140972043 /nfs/dbraw/zinc/97/20/43/1140972043.db2.gz MROJPWTUABWHSI-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730687 1141045968 /nfs/dbraw/zinc/04/59/68/1141045968.db2.gz AEHLSSKYPSUMFG-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001321107987 1141054063 /nfs/dbraw/zinc/05/40/63/1141054063.db2.gz DAECNQPPWZMMNE-CGXNLCPXSA-N 2 1 311.857 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321107989 1141054480 /nfs/dbraw/zinc/05/44/80/1141054480.db2.gz DAECNQPPWZMMNE-RYIMYRPNSA-N 2 1 311.857 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001323638194 1141872798 /nfs/dbraw/zinc/87/27/98/1141872798.db2.gz PELLZBXXNGIPFP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001323638194 1141872800 /nfs/dbraw/zinc/87/28/00/1141872800.db2.gz PELLZBXXNGIPFP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001323638194 1141872801 /nfs/dbraw/zinc/87/28/01/1141872801.db2.gz PELLZBXXNGIPFP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001323736888 1141882450 /nfs/dbraw/zinc/88/24/50/1141882450.db2.gz XIGOJAVZVCFPIO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001323736888 1141882453 /nfs/dbraw/zinc/88/24/53/1141882453.db2.gz XIGOJAVZVCFPIO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001323736888 1141882454 /nfs/dbraw/zinc/88/24/54/1141882454.db2.gz XIGOJAVZVCFPIO-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001323873574 1141895298 /nfs/dbraw/zinc/89/52/98/1141895298.db2.gz POYOPIQVKSWQMN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001323873574 1141895299 /nfs/dbraw/zinc/89/52/99/1141895299.db2.gz POYOPIQVKSWQMN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001323873574 1141895302 /nfs/dbraw/zinc/89/53/02/1141895302.db2.gz POYOPIQVKSWQMN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001324273031 1142044487 /nfs/dbraw/zinc/04/44/87/1142044487.db2.gz GNNUAXHKRDYZJP-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597114 1142779943 /nfs/dbraw/zinc/77/99/43/1142779943.db2.gz WVODKYQCZKWRJI-QZTJIDSGSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597114 1142779951 /nfs/dbraw/zinc/77/99/51/1142779951.db2.gz WVODKYQCZKWRJI-QZTJIDSGSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597114 1142779958 /nfs/dbraw/zinc/77/99/58/1142779958.db2.gz WVODKYQCZKWRJI-QZTJIDSGSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597114 1142779968 /nfs/dbraw/zinc/77/99/68/1142779968.db2.gz WVODKYQCZKWRJI-QZTJIDSGSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690358 1142836010 /nfs/dbraw/zinc/83/60/10/1142836010.db2.gz PSENXSLURHWZTK-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587578 1142882780 /nfs/dbraw/zinc/88/27/80/1142882780.db2.gz DLVRIWQQYDNKFJ-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587578 1142882781 /nfs/dbraw/zinc/88/27/81/1142882781.db2.gz DLVRIWQQYDNKFJ-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001253587578 1142882783 /nfs/dbraw/zinc/88/27/83/1142882783.db2.gz DLVRIWQQYDNKFJ-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP CN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254635632 1143290325 /nfs/dbraw/zinc/29/03/25/1143290325.db2.gz HFZCWYBDOKLHLS-VQIMIIECSA-N 2 1 312.461 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001278907634 1143825862 /nfs/dbraw/zinc/82/58/62/1143825862.db2.gz HBNBCEQDBYSMLU-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001278907634 1143825865 /nfs/dbraw/zinc/82/58/65/1143825865.db2.gz HBNBCEQDBYSMLU-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001278907634 1143825866 /nfs/dbraw/zinc/82/58/66/1143825866.db2.gz HBNBCEQDBYSMLU-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001278963066 1143866503 /nfs/dbraw/zinc/86/65/03/1143866503.db2.gz WHLYRHWQKWFQOT-HZPDHXFCSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001264380956 1144520985 /nfs/dbraw/zinc/52/09/85/1144520985.db2.gz UITPFWMMZZPLMH-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001264424399 1144536436 /nfs/dbraw/zinc/53/64/36/1144536436.db2.gz GWBIWXAXSMWGLG-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264652191 1144585308 /nfs/dbraw/zinc/58/53/08/1144585308.db2.gz XLQXOGKAZBASDW-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233300 1144673823 /nfs/dbraw/zinc/67/38/23/1144673823.db2.gz QIPCQBDCOFVWNI-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233300 1144673826 /nfs/dbraw/zinc/67/38/26/1144673826.db2.gz QIPCQBDCOFVWNI-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265619622 1144718691 /nfs/dbraw/zinc/71/86/91/1144718691.db2.gz QEOGHBAIBGYXAP-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654273 1144723311 /nfs/dbraw/zinc/72/33/11/1144723311.db2.gz QOOMELFPOSCCEZ-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265654273 1144723316 /nfs/dbraw/zinc/72/33/16/1144723316.db2.gz QOOMELFPOSCCEZ-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696630 1144730118 /nfs/dbraw/zinc/73/01/18/1144730118.db2.gz JGDULFMPUSUUAJ-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696630 1144730123 /nfs/dbraw/zinc/73/01/23/1144730123.db2.gz JGDULFMPUSUUAJ-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696630 1144730127 /nfs/dbraw/zinc/73/01/27/1144730127.db2.gz JGDULFMPUSUUAJ-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266068941 1144802417 /nfs/dbraw/zinc/80/24/17/1144802417.db2.gz RWLSBINIAIYKME-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116929 1144807292 /nfs/dbraw/zinc/80/72/92/1144807292.db2.gz OXABMKFHFMSOBZ-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001279228666 1144819532 /nfs/dbraw/zinc/81/95/32/1144819532.db2.gz BUIGCACPPIEEQW-YVSFHVDLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001279318795 1144820739 /nfs/dbraw/zinc/82/07/39/1144820739.db2.gz QPBVCZFXSPYPIC-QGZVFWFLSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567204 1144824816 /nfs/dbraw/zinc/82/48/16/1144824816.db2.gz WMLZZGJEIBRZHA-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598857 1144828159 /nfs/dbraw/zinc/82/81/59/1144828159.db2.gz KDFGYAIQGHKHJX-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001280051395 1144831390 /nfs/dbraw/zinc/83/13/90/1144831390.db2.gz JSGMRFYBWAVHAN-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001280340760 1144835997 /nfs/dbraw/zinc/83/59/97/1144835997.db2.gz ROGAADVRADKLPW-UHFFFAOYSA-N 2 1 315.461 2.407 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001280761701 1144853854 /nfs/dbraw/zinc/85/38/54/1144853854.db2.gz ZNQUQILJJVCSDU-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001282310435 1145032491 /nfs/dbraw/zinc/03/24/91/1145032491.db2.gz NQMNRTOJMYRWGI-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658719 1145417081 /nfs/dbraw/zinc/41/70/81/1145417081.db2.gz MJHXEMOWILEUKJ-IEBWSBKVSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658719 1145417096 /nfs/dbraw/zinc/41/70/96/1145417096.db2.gz MJHXEMOWILEUKJ-IEBWSBKVSA-N 2 1 313.445 2.399 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001365272257 1145834182 /nfs/dbraw/zinc/83/41/82/1145834182.db2.gz VSTAGTTXAUORIR-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001365272257 1145834183 /nfs/dbraw/zinc/83/41/83/1145834183.db2.gz VSTAGTTXAUORIR-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284604533 1145878059 /nfs/dbraw/zinc/87/80/59/1145878059.db2.gz QNRJHMYKMRTOGP-CVEARBPZSA-N 2 1 309.498 2.413 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001284986493 1146002007 /nfs/dbraw/zinc/00/20/07/1146002007.db2.gz PYEDFDYWGFZSLY-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001366288163 1147193959 /nfs/dbraw/zinc/19/39/59/1147193959.db2.gz OODVVXUQNYEIIE-DZGCQCFKSA-N 2 1 313.873 2.240 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001316741836 1147593393 /nfs/dbraw/zinc/59/33/93/1147593393.db2.gz FGMUDXFFQNQUCP-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001316809403 1147603959 /nfs/dbraw/zinc/60/39/59/1147603959.db2.gz BRWPWCSDFMCHIA-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317045501 1147652485 /nfs/dbraw/zinc/65/24/85/1147652485.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317045501 1147652487 /nfs/dbraw/zinc/65/24/87/1147652487.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317045501 1147652489 /nfs/dbraw/zinc/65/24/89/1147652489.db2.gz QXWGCWLTBLULRD-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317436462 1147708102 /nfs/dbraw/zinc/70/81/02/1147708102.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317436462 1147708104 /nfs/dbraw/zinc/70/81/04/1147708104.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317436462 1147708107 /nfs/dbraw/zinc/70/81/07/1147708107.db2.gz RMJNJFOURLMNKA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526394 1147720303 /nfs/dbraw/zinc/72/03/03/1147720303.db2.gz JERMEHZSEWGJLS-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001317685179 1147743754 /nfs/dbraw/zinc/74/37/54/1147743754.db2.gz FYADOOGLCHEAIP-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317862094 1147758840 /nfs/dbraw/zinc/75/88/40/1147758840.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317862094 1147758842 /nfs/dbraw/zinc/75/88/42/1147758842.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317862094 1147758844 /nfs/dbraw/zinc/75/88/44/1147758844.db2.gz GMCLROWOVRZVQC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001317869421 1147759389 /nfs/dbraw/zinc/75/93/89/1147759389.db2.gz CAHUZDMRXBDKHX-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317869421 1147759391 /nfs/dbraw/zinc/75/93/91/1147759391.db2.gz CAHUZDMRXBDKHX-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001317869421 1147759393 /nfs/dbraw/zinc/75/93/93/1147759393.db2.gz CAHUZDMRXBDKHX-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001318129365 1147780045 /nfs/dbraw/zinc/78/00/45/1147780045.db2.gz OJKJMZKCDCVOMF-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001368098288 1148220420 /nfs/dbraw/zinc/22/04/20/1148220420.db2.gz JLWMBIIYWZPOPG-CABCVRRESA-N 2 1 313.873 2.192 20 30 DEEDMP C[NH+](C)CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181392701 199289847 /nfs/dbraw/zinc/28/98/47/199289847.db2.gz GAGADUIIINLJJS-UHFFFAOYSA-N 2 1 300.450 2.064 20 30 DEEDMP C[NH+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000330812242 232085405 /nfs/dbraw/zinc/08/54/05/232085405.db2.gz OYKWCRVCQZMIJA-MRXNPFEDSA-N 2 1 300.406 2.408 20 30 DEEDMP C#CCCOc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000172043850 198029997 /nfs/dbraw/zinc/02/99/97/198029997.db2.gz ILLJHJUUWABZTK-UHFFFAOYSA-N 2 1 316.445 2.025 20 30 DEEDMP N#CC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620392 358504391 /nfs/dbraw/zinc/50/43/91/358504391.db2.gz NBECQWXKIXTPJG-ROUUACIJSA-N 2 1 318.465 2.254 20 30 DEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000353388040 283198172 /nfs/dbraw/zinc/19/81/72/283198172.db2.gz POBSHVTWCVEIIT-IEBWSBKVSA-N 2 1 313.445 2.372 20 30 DEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180060185 199112661 /nfs/dbraw/zinc/11/26/61/199112661.db2.gz ZZLDXSYMOSVZOY-MRXNPFEDSA-N 2 1 323.444 2.390 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678252 200143182 /nfs/dbraw/zinc/14/31/82/200143182.db2.gz VOBSICUXFPAQJU-QFBILLFUSA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110012 360704778 /nfs/dbraw/zinc/70/47/78/360704778.db2.gz JEQBSGNLFKOKBB-MRXNPFEDSA-N 2 1 320.481 2.135 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659095 145188585 /nfs/dbraw/zinc/18/85/85/145188585.db2.gz VRKIPKLVRNXTHP-YJBOKZPZSA-N 2 1 318.465 2.123 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659095 145188587 /nfs/dbraw/zinc/18/85/87/145188587.db2.gz VRKIPKLVRNXTHP-YJBOKZPZSA-N 2 1 318.465 2.123 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176829 402199761 /nfs/dbraw/zinc/19/97/61/402199761.db2.gz JSJJKDCOGUQUNH-INIZCTEOSA-N 2 1 318.465 2.016 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000176972401 402355529 /nfs/dbraw/zinc/35/55/29/402355529.db2.gz QVOMFBIXQCPEIL-ZDUSSCGKSA-N 2 1 305.447 2.210 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223820 402412760 /nfs/dbraw/zinc/41/27/60/402412760.db2.gz ZOQQRCZMRGQZOL-IBGZPJMESA-N 2 1 312.461 2.079 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000170910896 402540515 /nfs/dbraw/zinc/54/05/15/402540515.db2.gz WXWSMFWAOSKYBT-INIZCTEOSA-N 2 1 318.465 2.362 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)N1 ZINC000262635719 402728616 /nfs/dbraw/zinc/72/86/16/402728616.db2.gz GTAYNNCRUPKYRE-LSDHHAIUSA-N 2 1 300.450 2.356 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489976 403005320 /nfs/dbraw/zinc/00/53/20/403005320.db2.gz BKZQHPWUEARQQL-BRWVUGGUSA-N 2 1 300.450 2.321 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000345747056 403467125 /nfs/dbraw/zinc/46/71/25/403467125.db2.gz AZCDUQLDJQCICF-CVEARBPZSA-N 2 1 322.497 2.151 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361768053 403853661 /nfs/dbraw/zinc/85/36/61/403853661.db2.gz YEQKLRWTRKHEKQ-NVXWUHKLSA-N 2 1 322.497 2.151 20 30 DEEDMP C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCC[NH+]1C ZINC000344142707 403936695 /nfs/dbraw/zinc/93/66/95/403936695.db2.gz LVXBAKCLCFDJJV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCC[NH+]1C ZINC000344142707 403936708 /nfs/dbraw/zinc/93/67/08/403936708.db2.gz LVXBAKCLCFDJJV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000344142707 403936713 /nfs/dbraw/zinc/93/67/13/403936713.db2.gz LVXBAKCLCFDJJV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000344142707 403936721 /nfs/dbraw/zinc/93/67/21/403936721.db2.gz LVXBAKCLCFDJJV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000329080956 404224022 /nfs/dbraw/zinc/22/40/22/404224022.db2.gz CWVDJSORDFXIND-UHFFFAOYSA-N 2 1 324.388 2.041 20 30 DEEDMP C=CCC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064720 404389653 /nfs/dbraw/zinc/38/96/53/404389653.db2.gz IPUWEGQSTHGYHQ-HOTGVXAUSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064720 404389659 /nfs/dbraw/zinc/38/96/59/404389659.db2.gz IPUWEGQSTHGYHQ-HOTGVXAUSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccco1 ZINC000356064720 404389665 /nfs/dbraw/zinc/38/96/65/404389665.db2.gz IPUWEGQSTHGYHQ-HOTGVXAUSA-N 2 1 319.449 2.464 20 30 DEEDMP CNC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329758036 404441557 /nfs/dbraw/zinc/44/15/57/404441557.db2.gz NIVKEGFBWKZEOD-AWEZNQCLSA-N 2 1 313.405 2.374 20 30 DEEDMP C=CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494562829 405719069 /nfs/dbraw/zinc/71/90/69/405719069.db2.gz RKDOXYGGDSLIQR-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635531594 406577325 /nfs/dbraw/zinc/57/73/25/406577325.db2.gz USZLRNSEUWSBRQ-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C#C[C@@H](CCC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491694247 406672155 /nfs/dbraw/zinc/67/21/55/406672155.db2.gz ANXACCDTZNTFFZ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCSC1 ZINC000262477208 225273041 /nfs/dbraw/zinc/27/30/41/225273041.db2.gz QMLUXZINWAVZPB-QGZVFWFLSA-N 2 1 318.490 2.339 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1C ZINC000267203899 225350718 /nfs/dbraw/zinc/35/07/18/225350718.db2.gz QZLATDCIMRKTSD-INIZCTEOSA-N 2 1 306.479 2.467 20 30 DEEDMP C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699759 227057886 /nfs/dbraw/zinc/05/78/86/227057886.db2.gz MGEGHMDWSSMAAX-IRXDYDNUSA-N 2 1 306.498 2.274 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001479910606 1151166758 /nfs/dbraw/zinc/16/67/58/1151166758.db2.gz DPRNYXYVRHEXAR-CVEARBPZSA-N 2 1 304.438 2.381 20 30 DEEDMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631830 277106581 /nfs/dbraw/zinc/10/65/81/277106581.db2.gz JHOIIIQFDKODHO-SFHVURJKSA-N 2 1 312.461 2.161 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001329761028 1148989569 /nfs/dbraw/zinc/98/95/69/1148989569.db2.gz KFRGDOKNKIYMHQ-QGZVFWFLSA-N 2 1 323.525 2.450 20 30 DEEDMP C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001492984024 1152197036 /nfs/dbraw/zinc/19/70/36/1152197036.db2.gz QXUKFWDHWVNHCX-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CC)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001492984024 1152197042 /nfs/dbraw/zinc/19/70/42/1152197042.db2.gz QXUKFWDHWVNHCX-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CC)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001492984024 1152197049 /nfs/dbraw/zinc/19/70/49/1152197049.db2.gz QXUKFWDHWVNHCX-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC001357366670 1152294135 /nfs/dbraw/zinc/29/41/35/1152294135.db2.gz HXOANBBWJOMFJD-DZGCQCFKSA-N 2 1 321.490 2.295 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC001357366670 1152294140 /nfs/dbraw/zinc/29/41/40/1152294140.db2.gz HXOANBBWJOMFJD-DZGCQCFKSA-N 2 1 321.490 2.295 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001377510732 1160446937 /nfs/dbraw/zinc/44/69/37/1160446937.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001377510732 1160446956 /nfs/dbraw/zinc/44/69/56/1160446956.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001377510732 1160446977 /nfs/dbraw/zinc/44/69/77/1160446977.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001327475348 1148563919 /nfs/dbraw/zinc/56/39/19/1148563919.db2.gz VCSXLSLUNUBNII-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CNC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040684 526343921 /nfs/dbraw/zinc/34/39/21/526343921.db2.gz RWONCXRVOWGJTH-FZMZJTMJSA-N 2 1 312.820 2.267 20 30 DEEDMP CN/C(=[NH+]/C)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262011420 526344240 /nfs/dbraw/zinc/34/42/40/526344240.db2.gz WQSOWQUWOJFRSV-SJORKVTESA-N 2 1 300.450 2.178 20 30 DEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H](C)c1ccc(C)o1 ZINC000262769435 526379915 /nfs/dbraw/zinc/37/99/15/526379915.db2.gz IFLZRDVKRRBNES-XJKSGUPXSA-N 2 1 324.494 2.251 20 30 DEEDMP CCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264145940 528161465 /nfs/dbraw/zinc/16/14/65/528161465.db2.gz XUJZQQWPQDPART-INIZCTEOSA-N 2 1 306.454 2.392 20 30 DEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCSC(C)(C)C1 ZINC000261805519 528814475 /nfs/dbraw/zinc/81/44/75/528814475.db2.gz HGUHIGDTYYFDDA-CQSZACIVSA-N 2 1 312.527 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001026400468 625414833 /nfs/dbraw/zinc/41/48/33/625414833.db2.gz KCEWMTPKGQBXSE-SOUVJXGZSA-N 2 1 316.449 2.090 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514404 625493842 /nfs/dbraw/zinc/49/38/42/625493842.db2.gz AZXJQAMPGWLZSZ-GJZGRUSLSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001026591072 625548208 /nfs/dbraw/zinc/54/82/08/625548208.db2.gz OEEFCYCMWXUUAJ-DAWZGUTISA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156496 622596459 /nfs/dbraw/zinc/59/64/59/622596459.db2.gz UJJGIYJZRGQLNY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605249 623821972 /nfs/dbraw/zinc/82/19/72/623821972.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605249 623821983 /nfs/dbraw/zinc/82/19/83/623821983.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605249 623821991 /nfs/dbraw/zinc/82/19/91/623821991.db2.gz LXDSXVIIONAWCT-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436722 624038171 /nfs/dbraw/zinc/03/81/71/624038171.db2.gz MBRFCZJAIXZVLD-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681708 624503198 /nfs/dbraw/zinc/50/31/98/624503198.db2.gz FSGLSUVSJWPXBM-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681708 624503203 /nfs/dbraw/zinc/50/32/03/624503203.db2.gz FSGLSUVSJWPXBM-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681708 624503204 /nfs/dbraw/zinc/50/32/04/624503204.db2.gz FSGLSUVSJWPXBM-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650675 634388346 /nfs/dbraw/zinc/38/83/46/634388346.db2.gz CXCHNVVVEYKSCS-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737668 625025339 /nfs/dbraw/zinc/02/53/39/625025339.db2.gz LIAAQKIGBSXPMO-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411836 625259329 /nfs/dbraw/zinc/25/93/29/625259329.db2.gz JUGDZHQCNDALSV-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411836 625259331 /nfs/dbraw/zinc/25/93/31/625259331.db2.gz JUGDZHQCNDALSV-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695455 634450789 /nfs/dbraw/zinc/45/07/89/634450789.db2.gz VRNTZVHKHLIQRK-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468094 625794495 /nfs/dbraw/zinc/79/44/95/625794495.db2.gz IFPGOLUJEMSDPP-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479230 625804797 /nfs/dbraw/zinc/80/47/97/625804797.db2.gz CPQCXLKZMQZMAQ-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479230 625804800 /nfs/dbraw/zinc/80/48/00/625804800.db2.gz CPQCXLKZMQZMAQ-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534998 625850636 /nfs/dbraw/zinc/85/06/36/625850636.db2.gz OEBGJFHFNUKFBP-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999350875 634569742 /nfs/dbraw/zinc/56/97/42/634569742.db2.gz BYCJKUSOHZAPJS-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000107615 634747658 /nfs/dbraw/zinc/74/76/58/634747658.db2.gz ZLCOTPIRADJLNO-MRXNPFEDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974654091 633211991 /nfs/dbraw/zinc/21/19/91/633211991.db2.gz GZBZYXPMLFIIGF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654091 633211993 /nfs/dbraw/zinc/21/19/93/633211993.db2.gz GZBZYXPMLFIIGF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654091 633211997 /nfs/dbraw/zinc/21/19/97/633211997.db2.gz GZBZYXPMLFIIGF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970689 633525446 /nfs/dbraw/zinc/52/54/46/633525446.db2.gz QPTULGZWMDDIPA-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC)CC1 ZINC000997150153 633641028 /nfs/dbraw/zinc/64/10/28/633641028.db2.gz VNDDDQLZHTYZTP-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCC)CC1 ZINC000997150153 633641029 /nfs/dbraw/zinc/64/10/29/633641029.db2.gz VNDDDQLZHTYZTP-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614015 633901120 /nfs/dbraw/zinc/90/11/20/633901120.db2.gz OHIPRHBISOGUIX-FUHWJXTLSA-N 2 1 321.509 2.367 20 30 DEEDMP CCOCCCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104178856 634265178 /nfs/dbraw/zinc/26/51/78/634265178.db2.gz PGJYBUSEDHSFPI-GASCZTMLSA-N 2 1 312.502 2.074 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981371 635154665 /nfs/dbraw/zinc/15/46/65/635154665.db2.gz ABCSIPGLRPAZTH-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001000361486 635159005 /nfs/dbraw/zinc/15/90/05/635159005.db2.gz ATFBMVYJGKCCPR-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001028054261 635384591 /nfs/dbraw/zinc/38/45/91/635384591.db2.gz VBHIDDCQGPNVSE-GOSISDBHSA-N 2 1 322.412 2.090 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245098 635440332 /nfs/dbraw/zinc/44/03/32/635440332.db2.gz MCHIRNUNQMXOCB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001245098 635440334 /nfs/dbraw/zinc/44/03/34/635440334.db2.gz MCHIRNUNQMXOCB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001245098 635440338 /nfs/dbraw/zinc/44/03/38/635440338.db2.gz MCHIRNUNQMXOCB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088488 635458330 /nfs/dbraw/zinc/45/83/30/635458330.db2.gz JQKVZUFLVWFIPW-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088488 635458334 /nfs/dbraw/zinc/45/83/34/635458334.db2.gz JQKVZUFLVWFIPW-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088487 635458801 /nfs/dbraw/zinc/45/88/01/635458801.db2.gz JQKVZUFLVWFIPW-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088487 635458802 /nfs/dbraw/zinc/45/88/02/635458802.db2.gz JQKVZUFLVWFIPW-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001392464 635475868 /nfs/dbraw/zinc/47/58/68/635475868.db2.gz KSAUKNSPSAJEQH-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001521961 635520981 /nfs/dbraw/zinc/52/09/81/635520981.db2.gz LAMLUOQZKGQUJY-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764714 635633772 /nfs/dbraw/zinc/63/37/72/635633772.db2.gz AAVACIXFGBVHAC-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764714 635633777 /nfs/dbraw/zinc/63/37/77/635633777.db2.gz AAVACIXFGBVHAC-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764714 635633779 /nfs/dbraw/zinc/63/37/79/635633779.db2.gz AAVACIXFGBVHAC-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160967 635893592 /nfs/dbraw/zinc/89/35/92/635893592.db2.gz IASPTOLTNXDBQU-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947360487 635944179 /nfs/dbraw/zinc/94/41/79/635944179.db2.gz FWUKWEZDDRYJMT-DZGCQCFKSA-N 2 1 319.474 2.026 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947360495 635944288 /nfs/dbraw/zinc/94/42/88/635944288.db2.gz FWUKWEZDDRYJMT-HIFRSBDPSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557169 636264424 /nfs/dbraw/zinc/26/44/24/636264424.db2.gz MYWVGSZFGRMCRH-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557169 636264429 /nfs/dbraw/zinc/26/44/29/636264429.db2.gz MYWVGSZFGRMCRH-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557169 636264433 /nfs/dbraw/zinc/26/44/33/636264433.db2.gz MYWVGSZFGRMCRH-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028579796 636373231 /nfs/dbraw/zinc/37/32/31/636373231.db2.gz JDLCHSVBTHLMPC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579796 636373238 /nfs/dbraw/zinc/37/32/38/636373238.db2.gz JDLCHSVBTHLMPC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579796 636373242 /nfs/dbraw/zinc/37/32/42/636373242.db2.gz JDLCHSVBTHLMPC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579796 636373247 /nfs/dbraw/zinc/37/32/47/636373247.db2.gz JDLCHSVBTHLMPC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004595836 636497293 /nfs/dbraw/zinc/49/72/93/636497293.db2.gz JKOZHGLEZSPULO-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595836 636497296 /nfs/dbraw/zinc/49/72/96/636497296.db2.gz JKOZHGLEZSPULO-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004595836 636497298 /nfs/dbraw/zinc/49/72/98/636497298.db2.gz JKOZHGLEZSPULO-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618357 636503568 /nfs/dbraw/zinc/50/35/68/636503568.db2.gz VWLWNDRASNNFKS-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618357 636503574 /nfs/dbraw/zinc/50/35/74/636503574.db2.gz VWLWNDRASNNFKS-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618357 636503577 /nfs/dbraw/zinc/50/35/77/636503577.db2.gz VWLWNDRASNNFKS-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919042 636851134 /nfs/dbraw/zinc/85/11/34/636851134.db2.gz PVJKNNVJHRKGCX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919042 636851135 /nfs/dbraw/zinc/85/11/35/636851135.db2.gz PVJKNNVJHRKGCX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919042 636851136 /nfs/dbraw/zinc/85/11/36/636851136.db2.gz PVJKNNVJHRKGCX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487091 637201694 /nfs/dbraw/zinc/20/16/94/637201694.db2.gz WSMUAZYVZADKST-LSDHHAIUSA-N 2 1 321.490 2.322 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006295989 637333237 /nfs/dbraw/zinc/33/32/37/637333237.db2.gz XBRIUBPSAHGHOS-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006295989 637333240 /nfs/dbraw/zinc/33/32/40/637333240.db2.gz XBRIUBPSAHGHOS-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985429269 639395317 /nfs/dbraw/zinc/39/53/17/639395317.db2.gz NZEBDBFJVMOSSI-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985429269 639395323 /nfs/dbraw/zinc/39/53/23/639395323.db2.gz NZEBDBFJVMOSSI-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985429269 639395327 /nfs/dbraw/zinc/39/53/27/639395327.db2.gz NZEBDBFJVMOSSI-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764565893 640655455 /nfs/dbraw/zinc/65/54/55/640655455.db2.gz OJVZUGOTJWYZHA-KRWDZBQOSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000764614153 640663484 /nfs/dbraw/zinc/66/34/84/640663484.db2.gz TVJHOLTZFABUEA-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738465 641215882 /nfs/dbraw/zinc/21/58/82/641215882.db2.gz BOGUTNXEONXVTH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477387 650749562 /nfs/dbraw/zinc/74/95/62/650749562.db2.gz SZBCTWNBZFASNF-DLBZAZTESA-N 2 1 322.497 2.177 20 30 DEEDMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988824 643541243 /nfs/dbraw/zinc/54/12/43/643541243.db2.gz XYNQMFUSZCMNDQ-BFYDXBDKSA-N 2 1 313.449 2.218 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905095029 643798828 /nfs/dbraw/zinc/79/88/28/643798828.db2.gz HIXFENZVQDSUPL-MOPGFXCFSA-N 2 1 318.461 2.101 20 30 DEEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCc2ccccc2C1 ZINC000170906012 646675037 /nfs/dbraw/zinc/67/50/37/646675037.db2.gz TXPLRDVUSULFJN-CQSZACIVSA-N 2 1 309.417 2.255 20 30 DEEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC000170906012 646675038 /nfs/dbraw/zinc/67/50/38/646675038.db2.gz TXPLRDVUSULFJN-CQSZACIVSA-N 2 1 309.417 2.255 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169358 646882835 /nfs/dbraw/zinc/88/28/35/646882835.db2.gz QPADAFCNQRKGKE-QAPCUYQASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169358 646882840 /nfs/dbraw/zinc/88/28/40/646882840.db2.gz QPADAFCNQRKGKE-QAPCUYQASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185646 646892773 /nfs/dbraw/zinc/89/27/73/646892773.db2.gz CGKZYVMQGXOLRC-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185646 646892775 /nfs/dbraw/zinc/89/27/75/646892775.db2.gz CGKZYVMQGXOLRC-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000815651860 647038605 /nfs/dbraw/zinc/03/86/05/647038605.db2.gz GSZRPENONGQWKZ-CVEARBPZSA-N 2 1 323.481 2.177 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000815651860 647038608 /nfs/dbraw/zinc/03/86/08/647038608.db2.gz GSZRPENONGQWKZ-CVEARBPZSA-N 2 1 323.481 2.177 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481730 647684196 /nfs/dbraw/zinc/68/41/96/647684196.db2.gz SGOOCACYGKVEQE-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805955 647747236 /nfs/dbraw/zinc/74/72/36/647747236.db2.gz NTQVHQZRTAYNAF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805955 647747240 /nfs/dbraw/zinc/74/72/40/647747240.db2.gz NTQVHQZRTAYNAF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805955 647747241 /nfs/dbraw/zinc/74/72/41/647747241.db2.gz NTQVHQZRTAYNAF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994119864 647788899 /nfs/dbraw/zinc/78/88/99/647788899.db2.gz GGCSUYOLVHAEDX-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994119865 647788912 /nfs/dbraw/zinc/78/89/12/647788912.db2.gz GGCSUYOLVHAEDX-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC000994273245 647891946 /nfs/dbraw/zinc/89/19/46/647891946.db2.gz ZDROFMUPQBLGDV-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273245 647891949 /nfs/dbraw/zinc/89/19/49/647891949.db2.gz ZDROFMUPQBLGDV-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273245 647891950 /nfs/dbraw/zinc/89/19/50/647891950.db2.gz ZDROFMUPQBLGDV-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@H]2C)CC1 ZINC000994491907 647970003 /nfs/dbraw/zinc/97/00/03/647970003.db2.gz AMQALEATFFVNDS-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881709 648509742 /nfs/dbraw/zinc/50/97/42/648509742.db2.gz HNKLHESVMFLYFD-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939236817 648607266 /nfs/dbraw/zinc/60/72/66/648607266.db2.gz RSROLOYXVOFNEO-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624477 648908217 /nfs/dbraw/zinc/90/82/17/648908217.db2.gz HYSRXANWKCBPTO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624477 648908218 /nfs/dbraw/zinc/90/82/18/648908218.db2.gz HYSRXANWKCBPTO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624477 648908223 /nfs/dbraw/zinc/90/82/23/648908223.db2.gz HYSRXANWKCBPTO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076268 648994837 /nfs/dbraw/zinc/99/48/37/648994837.db2.gz VBLJMIMLYCHWKQ-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068511 648997746 /nfs/dbraw/zinc/99/77/46/648997746.db2.gz RHCAMLMVDOVCFB-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068511 648997748 /nfs/dbraw/zinc/99/77/48/648997748.db2.gz RHCAMLMVDOVCFB-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164853 649011407 /nfs/dbraw/zinc/01/14/07/649011407.db2.gz XZGZOHXKPDOKLH-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164853 649011409 /nfs/dbraw/zinc/01/14/09/649011409.db2.gz XZGZOHXKPDOKLH-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164853 649011410 /nfs/dbraw/zinc/01/14/10/649011410.db2.gz XZGZOHXKPDOKLH-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236959 649028309 /nfs/dbraw/zinc/02/83/09/649028309.db2.gz DLFAPPQAFPOEQT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236959 649028312 /nfs/dbraw/zinc/02/83/12/649028312.db2.gz DLFAPPQAFPOEQT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236959 649028314 /nfs/dbraw/zinc/02/83/14/649028314.db2.gz DLFAPPQAFPOEQT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206469 649184751 /nfs/dbraw/zinc/18/47/51/649184751.db2.gz ZWTNDAGFNLSCED-KSSFIOAISA-N 2 1 324.428 2.106 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942301539 649200732 /nfs/dbraw/zinc/20/07/32/649200732.db2.gz GWBWXSRUIGGCMP-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944171668 649491150 /nfs/dbraw/zinc/49/11/50/649491150.db2.gz ZTGYWFNEGAKBKE-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944171668 649491151 /nfs/dbraw/zinc/49/11/51/649491151.db2.gz ZTGYWFNEGAKBKE-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792562 685262221 /nfs/dbraw/zinc/26/22/21/685262221.db2.gz LCKWDTWOJWNUNG-HOTGVXAUSA-N 2 1 318.465 2.151 20 30 DEEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000305039044 685265628 /nfs/dbraw/zinc/26/56/28/685265628.db2.gz UPDFGTTVVVSWGM-KRWDZBQOSA-N 2 1 302.466 2.111 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000104191030 684059183 /nfs/dbraw/zinc/05/91/83/684059183.db2.gz XQXYLYZXCVSJKR-AWEZNQCLSA-N 2 1 320.456 2.492 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@H](CC)C2)C1 ZINC000124177700 684132744 /nfs/dbraw/zinc/13/27/44/684132744.db2.gz HTSDWNLSPFJHHN-HUUCEWRRSA-N 2 1 312.527 2.121 20 30 DEEDMP C[C@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)CC(C)(C)C ZINC000189387783 684380509 /nfs/dbraw/zinc/38/05/09/684380509.db2.gz WJQDAIZHDXPPRD-OAHLLOKOSA-N 2 1 312.502 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141555 693860609 /nfs/dbraw/zinc/86/06/09/693860609.db2.gz MGYLTLBJXZLASV-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141555 693860612 /nfs/dbraw/zinc/86/06/12/693860612.db2.gz MGYLTLBJXZLASV-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141555 693860614 /nfs/dbraw/zinc/86/06/14/693860614.db2.gz MGYLTLBJXZLASV-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143950 693860631 /nfs/dbraw/zinc/86/06/31/693860631.db2.gz MSRJETIHSBNMOV-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228559 693891004 /nfs/dbraw/zinc/89/10/04/693891004.db2.gz SWKXYUFTHNSBRB-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228559 693891009 /nfs/dbraw/zinc/89/10/09/693891009.db2.gz SWKXYUFTHNSBRB-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228559 693891015 /nfs/dbraw/zinc/89/10/15/693891015.db2.gz SWKXYUFTHNSBRB-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054238933 693895062 /nfs/dbraw/zinc/89/50/62/693895062.db2.gz BZMUJWNQBXYFJW-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054238933 693895068 /nfs/dbraw/zinc/89/50/68/693895068.db2.gz BZMUJWNQBXYFJW-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054238933 693895070 /nfs/dbraw/zinc/89/50/70/693895070.db2.gz BZMUJWNQBXYFJW-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245495 693898155 /nfs/dbraw/zinc/89/81/55/693898155.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245495 693898159 /nfs/dbraw/zinc/89/81/59/693898159.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245495 693898168 /nfs/dbraw/zinc/89/81/68/693898168.db2.gz UFFCCLLPDIAFFI-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796657 687425217 /nfs/dbraw/zinc/42/52/17/687425217.db2.gz ZGCDGJGOBLLKTD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015797057 687425321 /nfs/dbraw/zinc/42/53/21/687425321.db2.gz WJEOPALBWUVIDS-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797057 687425323 /nfs/dbraw/zinc/42/53/23/687425323.db2.gz WJEOPALBWUVIDS-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797057 687425324 /nfs/dbraw/zinc/42/53/24/687425324.db2.gz WJEOPALBWUVIDS-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618218 687666049 /nfs/dbraw/zinc/66/60/49/687666049.db2.gz QUBVPJIYPULHBN-JKSUJKDBSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550225 687909409 /nfs/dbraw/zinc/90/94/09/687909409.db2.gz URAKLMPODFGNGM-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550225 687909411 /nfs/dbraw/zinc/90/94/11/687909411.db2.gz URAKLMPODFGNGM-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550225 687909412 /nfs/dbraw/zinc/90/94/12/687909412.db2.gz URAKLMPODFGNGM-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550225 687909414 /nfs/dbraw/zinc/90/94/14/687909414.db2.gz URAKLMPODFGNGM-XWTMOSNGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029000783 688547916 /nfs/dbraw/zinc/54/79/16/688547916.db2.gz JMQNXIYTDMEUBZ-INIZCTEOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001030445339 688689749 /nfs/dbraw/zinc/68/97/49/688689749.db2.gz XLFRPVKHBKAXMY-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001030445339 688689752 /nfs/dbraw/zinc/68/97/52/688689752.db2.gz XLFRPVKHBKAXMY-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032118039 689066275 /nfs/dbraw/zinc/06/62/75/689066275.db2.gz QEKOHWONAHFEML-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493339 689166250 /nfs/dbraw/zinc/16/62/50/689166250.db2.gz QRVAUOYZSLVMCH-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493339 689166253 /nfs/dbraw/zinc/16/62/53/689166253.db2.gz QRVAUOYZSLVMCH-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493339 689166257 /nfs/dbraw/zinc/16/62/57/689166257.db2.gz QRVAUOYZSLVMCH-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153504 689406791 /nfs/dbraw/zinc/40/67/91/689406791.db2.gz VSCKJXPRBDFMKY-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153504 689406792 /nfs/dbraw/zinc/40/67/92/689406792.db2.gz VSCKJXPRBDFMKY-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470629 689513813 /nfs/dbraw/zinc/51/38/13/689513813.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470629 689513817 /nfs/dbraw/zinc/51/38/17/689513817.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470629 689513819 /nfs/dbraw/zinc/51/38/19/689513819.db2.gz BRKLBMWWDWXZBZ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686166 689583244 /nfs/dbraw/zinc/58/32/44/689583244.db2.gz SUSNRBTUNYVUAY-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855200 689639336 /nfs/dbraw/zinc/63/93/36/689639336.db2.gz HVCTWQVXPVWUNQ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855200 689639337 /nfs/dbraw/zinc/63/93/37/689639337.db2.gz HVCTWQVXPVWUNQ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856720 689640961 /nfs/dbraw/zinc/64/09/61/689640961.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856720 689640962 /nfs/dbraw/zinc/64/09/62/689640962.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856720 689640965 /nfs/dbraw/zinc/64/09/65/689640965.db2.gz VYNAYYOAMGYKDU-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006314 689689879 /nfs/dbraw/zinc/68/98/79/689689879.db2.gz ZTYAACCBQFOFPL-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210728 689764915 /nfs/dbraw/zinc/76/49/15/689764915.db2.gz JDRBZLMEOPVWNV-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269222 689787950 /nfs/dbraw/zinc/78/79/50/689787950.db2.gz CJTQBBMRDZOJEB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269222 689787952 /nfs/dbraw/zinc/78/79/52/689787952.db2.gz CJTQBBMRDZOJEB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269222 689787955 /nfs/dbraw/zinc/78/79/55/689787955.db2.gz CJTQBBMRDZOJEB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269222 689787958 /nfs/dbraw/zinc/78/79/58/689787958.db2.gz CJTQBBMRDZOJEB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464431 689859678 /nfs/dbraw/zinc/85/96/78/689859678.db2.gz YIAIWYQBZYMXLF-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876728710 689918366 /nfs/dbraw/zinc/91/83/66/689918366.db2.gz SYGSMSOGQVWUDY-HOTGVXAUSA-N 2 1 321.852 2.237 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001034662884 689922420 /nfs/dbraw/zinc/92/24/20/689922420.db2.gz MWDKNQAUVCEDHS-BQFCYCMXSA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763172 689929690 /nfs/dbraw/zinc/92/96/90/689929690.db2.gz IOMISWWRTXLYKX-ZFWWWQNUSA-N 2 1 309.841 2.093 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769664 689931687 /nfs/dbraw/zinc/93/16/87/689931687.db2.gz XGLYBJXVVKRWCA-HZPDHXFCSA-N 2 1 321.852 2.237 20 30 DEEDMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000876933334 689976303 /nfs/dbraw/zinc/97/63/03/689976303.db2.gz MJFZOUQFXNFABE-GOSISDBHSA-N 2 1 320.396 2.151 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035226703 690065535 /nfs/dbraw/zinc/06/55/35/690065535.db2.gz KOQUOWLBCKCLTL-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226703 690065538 /nfs/dbraw/zinc/06/55/38/690065538.db2.gz KOQUOWLBCKCLTL-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226703 690065542 /nfs/dbraw/zinc/06/55/42/690065542.db2.gz KOQUOWLBCKCLTL-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732578 690163640 /nfs/dbraw/zinc/16/36/40/690163640.db2.gz DZDJDWVYFUWQHA-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036755299 690460273 /nfs/dbraw/zinc/46/02/73/690460273.db2.gz UEJPCLLRLOGEIJ-CRAIPNDOSA-N 2 1 324.428 2.365 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794617 690476529 /nfs/dbraw/zinc/47/65/29/690476529.db2.gz YDONOKGFCMMHTI-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001037863344 690626532 /nfs/dbraw/zinc/62/65/32/690626532.db2.gz XUHHGXADARLEHO-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038343275 690788829 /nfs/dbraw/zinc/78/88/29/690788829.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038343275 690788834 /nfs/dbraw/zinc/78/88/34/690788834.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038343275 690788839 /nfs/dbraw/zinc/78/88/39/690788839.db2.gz YOIYEDDKBLVAGI-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040889 691001900 /nfs/dbraw/zinc/00/19/00/691001900.db2.gz WTXPJRFQRUGIBX-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040889 691001901 /nfs/dbraw/zinc/00/19/01/691001901.db2.gz WTXPJRFQRUGIBX-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039288618 691075641 /nfs/dbraw/zinc/07/56/41/691075641.db2.gz CDFVCGBYVONUBK-ZXFUBFMLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039474252 691115013 /nfs/dbraw/zinc/11/50/13/691115013.db2.gz YUCGHAWSKLQUHJ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039474252 691115014 /nfs/dbraw/zinc/11/50/14/691115014.db2.gz YUCGHAWSKLQUHJ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039474252 691115016 /nfs/dbraw/zinc/11/50/16/691115016.db2.gz YUCGHAWSKLQUHJ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241537 691219580 /nfs/dbraw/zinc/21/95/80/691219580.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241537 691219582 /nfs/dbraw/zinc/21/95/82/691219582.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241537 691219584 /nfs/dbraw/zinc/21/95/84/691219584.db2.gz OWKBRWLNCKSQQW-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040296300 691226661 /nfs/dbraw/zinc/22/66/61/691226661.db2.gz NHZWNDNKLGJLBN-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242164 /nfs/dbraw/zinc/24/21/64/691242164.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242168 /nfs/dbraw/zinc/24/21/68/691242168.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395892 691242170 /nfs/dbraw/zinc/24/21/70/691242170.db2.gz RCFWFNRYSRUTHN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723848 691282480 /nfs/dbraw/zinc/28/24/80/691282480.db2.gz MZEFXHOBIBZBFM-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402061 691371463 /nfs/dbraw/zinc/37/14/63/691371463.db2.gz FVEOWYSJPNNZQL-ZBFHGGJFSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402061 691371465 /nfs/dbraw/zinc/37/14/65/691371465.db2.gz FVEOWYSJPNNZQL-ZBFHGGJFSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041403271 691371740 /nfs/dbraw/zinc/37/17/40/691371740.db2.gz OFHOHJKSVQOSKG-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598758 691399117 /nfs/dbraw/zinc/39/91/17/691399117.db2.gz CCPKVAGPIOYPMT-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598758 691399119 /nfs/dbraw/zinc/39/91/19/691399119.db2.gz CCPKVAGPIOYPMT-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598758 691399122 /nfs/dbraw/zinc/39/91/22/691399122.db2.gz CCPKVAGPIOYPMT-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832566 691441248 /nfs/dbraw/zinc/44/12/48/691441248.db2.gz BQLZMWGFALUZEF-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832566 691441252 /nfs/dbraw/zinc/44/12/52/691441252.db2.gz BQLZMWGFALUZEF-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042157594 691525107 /nfs/dbraw/zinc/52/51/07/691525107.db2.gz SIRZHXMQWKHEJL-WMLDXEAASA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042369417 691584194 /nfs/dbraw/zinc/58/41/94/691584194.db2.gz XTXSTBWXEPANFS-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741687 691880912 /nfs/dbraw/zinc/88/09/12/691880912.db2.gz CMLWAZOLJQSUKR-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531479 691993333 /nfs/dbraw/zinc/99/33/33/691993333.db2.gz KCCAUXYHOCFSGT-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939064 692058052 /nfs/dbraw/zinc/05/80/52/692058052.db2.gz UKPLKQHUDAPIAU-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939064 692058053 /nfs/dbraw/zinc/05/80/53/692058053.db2.gz UKPLKQHUDAPIAU-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001045939064 692058055 /nfs/dbraw/zinc/05/80/55/692058055.db2.gz UKPLKQHUDAPIAU-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945000 692059421 /nfs/dbraw/zinc/05/94/21/692059421.db2.gz LTMPZCGGGNRMOA-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045979914 692067514 /nfs/dbraw/zinc/06/75/14/692067514.db2.gz MPPVSYBALSYGGA-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979914 692067515 /nfs/dbraw/zinc/06/75/15/692067515.db2.gz MPPVSYBALSYGGA-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045979914 692067517 /nfs/dbraw/zinc/06/75/17/692067517.db2.gz MPPVSYBALSYGGA-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523440 692910899 /nfs/dbraw/zinc/91/08/99/692910899.db2.gz XWGNMEZTGBXWRW-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523440 692910901 /nfs/dbraw/zinc/91/09/01/692910901.db2.gz XWGNMEZTGBXWRW-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523440 692910903 /nfs/dbraw/zinc/91/09/03/692910903.db2.gz XWGNMEZTGBXWRW-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675583 692962617 /nfs/dbraw/zinc/96/26/17/692962617.db2.gz IDTKUXGSQTUSPP-CVEARBPZSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675583 692962620 /nfs/dbraw/zinc/96/26/20/692962620.db2.gz IDTKUXGSQTUSPP-CVEARBPZSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819749 693011568 /nfs/dbraw/zinc/01/15/68/693011568.db2.gz HUNDVRRMSWSNPV-MSOLQXFVSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686865 693232202 /nfs/dbraw/zinc/23/22/02/693232202.db2.gz FNLMVVUQODQCDD-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427167 693532187 /nfs/dbraw/zinc/53/21/87/693532187.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427167 693532189 /nfs/dbraw/zinc/53/21/89/693532189.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427167 693532194 /nfs/dbraw/zinc/53/21/94/693532194.db2.gz WNBXSBUUIDAXRR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446936 693537197 /nfs/dbraw/zinc/53/71/97/693537197.db2.gz UCOXSEMWXQWNAV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446936 693537200 /nfs/dbraw/zinc/53/72/00/693537200.db2.gz UCOXSEMWXQWNAV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446936 693537205 /nfs/dbraw/zinc/53/72/05/693537205.db2.gz UCOXSEMWXQWNAV-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052712002 693601078 /nfs/dbraw/zinc/60/10/78/693601078.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712002 693601080 /nfs/dbraw/zinc/60/10/80/693601080.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052712002 693601082 /nfs/dbraw/zinc/60/10/82/693601082.db2.gz CMGDDFGBVSDTFZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707611 1149882548 /nfs/dbraw/zinc/88/25/48/1149882548.db2.gz NPSZQYSQVNQZQU-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001357582472 1152315253 /nfs/dbraw/zinc/31/52/53/1152315253.db2.gz WTHVJRQTTYAEMX-BHYGNILZSA-N 2 1 305.466 2.145 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001380173668 1152762343 /nfs/dbraw/zinc/76/23/43/1152762343.db2.gz XRFROSZUCWEYRW-UHFFFAOYSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001381132637 1152921614 /nfs/dbraw/zinc/92/16/14/1152921614.db2.gz WGPFPLCABGYGQJ-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001381987556 1153306768 /nfs/dbraw/zinc/30/67/68/1153306768.db2.gz CMZVNBOVJUJWMK-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001381987556 1153306772 /nfs/dbraw/zinc/30/67/72/1153306772.db2.gz CMZVNBOVJUJWMK-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001381987556 1153306777 /nfs/dbraw/zinc/30/67/77/1153306777.db2.gz CMZVNBOVJUJWMK-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001382338485 1153429328 /nfs/dbraw/zinc/42/93/28/1153429328.db2.gz PCVBFOWYBFPRHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@H]12 ZINC001382338485 1153429331 /nfs/dbraw/zinc/42/93/31/1153429331.db2.gz PCVBFOWYBFPRHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001382338485 1153429334 /nfs/dbraw/zinc/42/93/34/1153429334.db2.gz PCVBFOWYBFPRHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001382338485 1153429335 /nfs/dbraw/zinc/42/93/35/1153429335.db2.gz PCVBFOWYBFPRHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001382514670 1153459488 /nfs/dbraw/zinc/45/94/88/1153459488.db2.gz DSFFHCULKLJXEX-AWEZNQCLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001390607983 1155813396 /nfs/dbraw/zinc/81/33/96/1155813396.db2.gz HNMBJEHLJZNVGE-KBPBESRZSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001392074096 1156862601 /nfs/dbraw/zinc/86/26/01/1156862601.db2.gz JBOUEZUVHWRZQN-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)CN(CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001377510732 1160446901 /nfs/dbraw/zinc/44/69/01/1160446901.db2.gz OCCJKYWCABMXRC-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001403772729 1163164122 /nfs/dbraw/zinc/16/41/22/1163164122.db2.gz QEFXLUJRXCHUNV-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001399224612 1161289266 /nfs/dbraw/zinc/28/92/66/1161289266.db2.gz LBTJESHYAFIDJJ-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001401151856 1161883763 /nfs/dbraw/zinc/88/37/63/1161883763.db2.gz IOZZLUBKKLRMMU-BBRMVZONSA-N 2 1 323.868 2.384 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001401872342 1162161538 /nfs/dbraw/zinc/16/15/38/1162161538.db2.gz ODXULKNKBXBGKY-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419810727 1168856365 /nfs/dbraw/zinc/85/63/65/1168856365.db2.gz ZLZXPSPSIGGNMI-HUUCEWRRSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420077926 1169144319 /nfs/dbraw/zinc/14/43/19/1169144319.db2.gz CKZUTEUDXAPONN-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182753 1181374940 /nfs/dbraw/zinc/37/49/40/1181374940.db2.gz CDHIOGJGWIGGRP-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182753 1181374947 /nfs/dbraw/zinc/37/49/47/1181374947.db2.gz CDHIOGJGWIGGRP-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001440432610 1181512675 /nfs/dbraw/zinc/51/26/75/1181512675.db2.gz WABCJHVTDFWAHJ-LSDHHAIUSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001440432610 1181512682 /nfs/dbraw/zinc/51/26/82/1181512682.db2.gz WABCJHVTDFWAHJ-LSDHHAIUSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001440432610 1181512689 /nfs/dbraw/zinc/51/26/89/1181512689.db2.gz WABCJHVTDFWAHJ-LSDHHAIUSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001440432610 1181512698 /nfs/dbraw/zinc/51/26/98/1181512698.db2.gz WABCJHVTDFWAHJ-LSDHHAIUSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001441096009 1181846021 /nfs/dbraw/zinc/84/60/21/1181846021.db2.gz ZLPFRXRPRXVELB-LSDHHAIUSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001441412788 1181982183 /nfs/dbraw/zinc/98/21/83/1181982183.db2.gz CHZDEENHMGDYSK-DZGCQCFKSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001447891851 1184926384 /nfs/dbraw/zinc/92/63/84/1184926384.db2.gz GHAFLMRMWZFQCI-OLZOCXBDSA-N 2 1 312.845 2.207 20 30 DEEDMP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+](C)Cc1ccccc1 ZINC001448883471 1185446430 /nfs/dbraw/zinc/44/64/30/1185446430.db2.gz ODBISIMISFMNKU-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](C)Cc1ccccc1 ZINC001448883471 1185446432 /nfs/dbraw/zinc/44/64/32/1185446432.db2.gz ODBISIMISFMNKU-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001448883471 1185446434 /nfs/dbraw/zinc/44/64/34/1185446434.db2.gz ODBISIMISFMNKU-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001448883471 1185446436 /nfs/dbraw/zinc/44/64/36/1185446436.db2.gz ODBISIMISFMNKU-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332206081 1149834673 /nfs/dbraw/zinc/83/46/73/1149834673.db2.gz MUFQDSHTHVRRBJ-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332206081 1149834677 /nfs/dbraw/zinc/83/46/77/1149834677.db2.gz MUFQDSHTHVRRBJ-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918053 790301212 /nfs/dbraw/zinc/30/12/12/790301212.db2.gz PUGCTMPRQLGGGP-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918053 790301218 /nfs/dbraw/zinc/30/12/18/790301218.db2.gz PUGCTMPRQLGGGP-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918053 790301225 /nfs/dbraw/zinc/30/12/25/790301225.db2.gz PUGCTMPRQLGGGP-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001333101326 1149998329 /nfs/dbraw/zinc/99/83/29/1149998329.db2.gz SGPLLIYWJLTRRC-INIZCTEOSA-N 2 1 316.449 2.301 20 30 DEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203780 782580054 /nfs/dbraw/zinc/58/00/54/782580054.db2.gz ROSZZLASGITWOM-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099203780 782580060 /nfs/dbraw/zinc/58/00/60/782580060.db2.gz ROSZZLASGITWOM-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309889 783041217 /nfs/dbraw/zinc/04/12/17/783041217.db2.gz GQCZLRNREZWWRG-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565436 783213053 /nfs/dbraw/zinc/21/30/53/783213053.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565436 783213058 /nfs/dbraw/zinc/21/30/58/783213058.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565436 783213064 /nfs/dbraw/zinc/21/30/64/783213064.db2.gz SAYXSWKIZWXQGE-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167233005 776786768 /nfs/dbraw/zinc/78/67/68/776786768.db2.gz XSVMFQZUPINEKB-INIZCTEOSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167425507 777019345 /nfs/dbraw/zinc/01/93/45/777019345.db2.gz GYLLULXTHGLRSG-IRXDYDNUSA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C2([NH3+])CC2)cc1 ZINC001171069946 790551514 /nfs/dbraw/zinc/55/15/14/790551514.db2.gz SNEUMAXMTAPEHL-INIZCTEOSA-N 2 1 317.433 2.273 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683316 778020935 /nfs/dbraw/zinc/02/09/35/778020935.db2.gz KABCMANTSQGEOC-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569795 779357449 /nfs/dbraw/zinc/35/74/49/779357449.db2.gz NGWRJODFODFAOY-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569795 779357453 /nfs/dbraw/zinc/35/74/53/779357453.db2.gz NGWRJODFODFAOY-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569795 779357463 /nfs/dbraw/zinc/35/74/63/779357463.db2.gz NGWRJODFODFAOY-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569796 779357608 /nfs/dbraw/zinc/35/76/08/779357608.db2.gz NGWRJODFODFAOY-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569796 779357612 /nfs/dbraw/zinc/35/76/12/779357612.db2.gz NGWRJODFODFAOY-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569796 779357617 /nfs/dbraw/zinc/35/76/17/779357617.db2.gz NGWRJODFODFAOY-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087659786 779401642 /nfs/dbraw/zinc/40/16/42/779401642.db2.gz AMRZWWJTEQYHAN-DLBZAZTESA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064293 779664769 /nfs/dbraw/zinc/66/47/69/779664769.db2.gz WKUONBHEIYCLTE-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329945 779968155 /nfs/dbraw/zinc/96/81/55/779968155.db2.gz LENMOZNSLZBKNW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153605 780279682 /nfs/dbraw/zinc/27/96/82/780279682.db2.gz OKBAXUBTKZFMII-OAHLLOKOSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324442 781218116 /nfs/dbraw/zinc/21/81/16/781218116.db2.gz SOXRBXRHHMOCCS-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947937040 783273410 /nfs/dbraw/zinc/27/34/10/783273410.db2.gz ZWYSFDOZGJWQEC-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616796 783280618 /nfs/dbraw/zinc/28/06/18/783280618.db2.gz NYUFCRYWSYPFBB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001089659377 783331144 /nfs/dbraw/zinc/33/11/44/783331144.db2.gz ZDCPYOITRKCJCW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089659377 783331148 /nfs/dbraw/zinc/33/11/48/783331148.db2.gz ZDCPYOITRKCJCW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089659377 783331156 /nfs/dbraw/zinc/33/11/56/783331156.db2.gz ZDCPYOITRKCJCW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659377 783331166 /nfs/dbraw/zinc/33/11/66/783331166.db2.gz ZDCPYOITRKCJCW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089659377 783331176 /nfs/dbraw/zinc/33/11/76/783331176.db2.gz ZDCPYOITRKCJCW-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948242489 783389029 /nfs/dbraw/zinc/38/90/29/783389029.db2.gz XFPXYAXSYGUVBX-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948242489 783389039 /nfs/dbraw/zinc/38/90/39/783389039.db2.gz XFPXYAXSYGUVBX-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948242489 783389048 /nfs/dbraw/zinc/38/90/48/783389048.db2.gz XFPXYAXSYGUVBX-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171196290 790938739 /nfs/dbraw/zinc/93/87/39/790938739.db2.gz XXYZHPHFBAITCC-HNNXBMFYSA-N 2 1 301.434 2.190 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001089734451 783399341 /nfs/dbraw/zinc/39/93/41/783399341.db2.gz QPUNSXOCNLLWHK-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734451 783399348 /nfs/dbraw/zinc/39/93/48/783399348.db2.gz QPUNSXOCNLLWHK-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734451 783399356 /nfs/dbraw/zinc/39/93/56/783399356.db2.gz QPUNSXOCNLLWHK-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734451 783399365 /nfs/dbraw/zinc/39/93/65/783399365.db2.gz QPUNSXOCNLLWHK-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647176 783548430 /nfs/dbraw/zinc/54/84/30/783548430.db2.gz FHQIOKDGZNTWST-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085309281 783634633 /nfs/dbraw/zinc/63/46/33/783634633.db2.gz HISCSRHQLCGUMZ-MWDXBVQZSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205553 783905845 /nfs/dbraw/zinc/90/58/45/783905845.db2.gz LFRSVFKDCAHSSE-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855965 784151059 /nfs/dbraw/zinc/15/10/59/784151059.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855965 784151069 /nfs/dbraw/zinc/15/10/69/784151069.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855965 784151078 /nfs/dbraw/zinc/15/10/78/784151078.db2.gz NPUQJYAPALYDOE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058872 784215546 /nfs/dbraw/zinc/21/55/46/784215546.db2.gz NJIYWJJIIAXRRY-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058872 784215553 /nfs/dbraw/zinc/21/55/53/784215553.db2.gz NJIYWJJIIAXRRY-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378116 784339148 /nfs/dbraw/zinc/33/91/48/784339148.db2.gz NTOWEZJNUAOCIV-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497084 784936183 /nfs/dbraw/zinc/93/61/83/784936183.db2.gz ALZWRVYUNMVZSI-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497084 784936187 /nfs/dbraw/zinc/93/61/87/784936187.db2.gz ALZWRVYUNMVZSI-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497084 784936188 /nfs/dbraw/zinc/93/61/88/784936188.db2.gz ALZWRVYUNMVZSI-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497084 784936192 /nfs/dbraw/zinc/93/61/92/784936192.db2.gz ALZWRVYUNMVZSI-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764316 785531623 /nfs/dbraw/zinc/53/16/23/785531623.db2.gz IGHAMINPOACPIR-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248966 791126722 /nfs/dbraw/zinc/12/67/22/791126722.db2.gz ZNLAFSQFVTZZFW-HOTGVXAUSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113346254 786538926 /nfs/dbraw/zinc/53/89/26/786538926.db2.gz SWWAYYFTOUWXID-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130614811 787443122 /nfs/dbraw/zinc/44/31/22/787443122.db2.gz FKDSVIIBPUNBCJ-UHFFFAOYSA-N 2 1 301.862 2.098 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424361 787616898 /nfs/dbraw/zinc/61/68/98/787616898.db2.gz OYADYIQSJGYIRN-UHFFFAOYSA-N 2 1 320.481 2.438 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001097318278 788058604 /nfs/dbraw/zinc/05/86/04/788058604.db2.gz OALFNBZKLLIZBW-OAGGEKHMSA-N 2 1 316.449 2.224 20 30 DEEDMP C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1cnc(C)c1)C2 ZINC001097318278 788058617 /nfs/dbraw/zinc/05/86/17/788058617.db2.gz OALFNBZKLLIZBW-OAGGEKHMSA-N 2 1 316.449 2.224 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549492 788131270 /nfs/dbraw/zinc/13/12/70/788131270.db2.gz OARILQUFEDSDRU-OIISXLGYSA-N 2 1 310.401 2.246 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937037 788231328 /nfs/dbraw/zinc/23/13/28/788231328.db2.gz FVKZDHJTQYXTGV-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186410 788311056 /nfs/dbraw/zinc/31/10/56/788311056.db2.gz UOWSBJLQZBPYJE-ZWKOTPCHSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133222342 788321283 /nfs/dbraw/zinc/32/12/83/788321283.db2.gz ODSFYGHLTSAZQI-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850958 788633127 /nfs/dbraw/zinc/63/31/27/788633127.db2.gz SHQOBLKFSASSKG-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170752240 788939472 /nfs/dbraw/zinc/93/94/72/788939472.db2.gz YRUQTEBJPPJLOX-DLBZAZTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789934 789188968 /nfs/dbraw/zinc/18/89/68/789188968.db2.gz RZJFVONNKZCBIE-BPQIPLTHSA-N 2 1 301.434 2.002 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627747 789825372 /nfs/dbraw/zinc/82/53/72/789825372.db2.gz KSYDDJJYDFXEKD-DZGCQCFKSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735993 789897925 /nfs/dbraw/zinc/89/79/25/789897925.db2.gz WAVMXOAWYDJHHH-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820598 789929135 /nfs/dbraw/zinc/92/91/35/789929135.db2.gz AJFKACFUPXSGQB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820598 789929142 /nfs/dbraw/zinc/92/91/42/789929142.db2.gz AJFKACFUPXSGQB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820598 789929148 /nfs/dbraw/zinc/92/91/48/789929148.db2.gz AJFKACFUPXSGQB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873450 789952885 /nfs/dbraw/zinc/95/28/85/789952885.db2.gz WNKMOCJKWLEGTQ-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072731552 790232874 /nfs/dbraw/zinc/23/28/74/790232874.db2.gz GIOAQWJWKVJQDY-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731552 790232876 /nfs/dbraw/zinc/23/28/76/790232876.db2.gz GIOAQWJWKVJQDY-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731552 790232879 /nfs/dbraw/zinc/23/28/79/790232879.db2.gz GIOAQWJWKVJQDY-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663162 791261653 /nfs/dbraw/zinc/26/16/53/791261653.db2.gz LLJSCHWYMVZSCW-ZQDZILKHSA-N 2 1 313.873 2.048 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001171307071 791549537 /nfs/dbraw/zinc/54/95/37/791549537.db2.gz GISLTZJFUUFYRB-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(C)C ZINC001171307071 791549543 /nfs/dbraw/zinc/54/95/43/791549543.db2.gz GISLTZJFUUFYRB-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001171307602 791559391 /nfs/dbraw/zinc/55/93/91/791559391.db2.gz JCLXFRIWWYSRBN-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC=C(C)C ZINC001171307602 791559401 /nfs/dbraw/zinc/55/94/01/791559401.db2.gz JCLXFRIWWYSRBN-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731423 /nfs/dbraw/zinc/73/14/23/791731423.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731426 /nfs/dbraw/zinc/73/14/26/791731426.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291762 791731431 /nfs/dbraw/zinc/73/14/31/791731431.db2.gz BWXNKQQAJLJSPT-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148646992 791780353 /nfs/dbraw/zinc/78/03/53/791780353.db2.gz JLMAPDMEOHJGJL-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148646992 791780356 /nfs/dbraw/zinc/78/03/56/791780356.db2.gz JLMAPDMEOHJGJL-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148646992 791780361 /nfs/dbraw/zinc/78/03/61/791780361.db2.gz JLMAPDMEOHJGJL-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148646992 791780364 /nfs/dbraw/zinc/78/03/64/791780364.db2.gz JLMAPDMEOHJGJL-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754324 791815236 /nfs/dbraw/zinc/81/52/36/791815236.db2.gz OATDAXWEYLSKOS-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754324 791815242 /nfs/dbraw/zinc/81/52/42/791815242.db2.gz OATDAXWEYLSKOS-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754324 791815243 /nfs/dbraw/zinc/81/52/43/791815243.db2.gz OATDAXWEYLSKOS-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941775 791856953 /nfs/dbraw/zinc/85/69/53/791856953.db2.gz BGESGKNTWOHDEK-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953179 791911679 /nfs/dbraw/zinc/91/16/79/791911679.db2.gz BKQOBXVVDMSDTD-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953179 791911681 /nfs/dbraw/zinc/91/16/81/791911681.db2.gz BKQOBXVVDMSDTD-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953179 791911683 /nfs/dbraw/zinc/91/16/83/791911683.db2.gz BKQOBXVVDMSDTD-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721160 792118281 /nfs/dbraw/zinc/11/82/81/792118281.db2.gz HCCVFDGNDZHETF-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224873 792143402 /nfs/dbraw/zinc/14/34/02/792143402.db2.gz KWEYCTJJBMBXFW-IAGOWNOFSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403790 792631713 /nfs/dbraw/zinc/63/17/13/792631713.db2.gz YPQMLNHJRHDTKZ-LXPRWKDFSA-N 2 1 321.509 2.415 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471067 792672413 /nfs/dbraw/zinc/67/24/13/792672413.db2.gz NFSRDIUDAZBNCG-OFLPRAFFSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362977 793134038 /nfs/dbraw/zinc/13/40/38/793134038.db2.gz LUCMVSXRIPZWBG-NUJGCVRESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400159 793144539 /nfs/dbraw/zinc/14/45/39/793144539.db2.gz JEKIEJDQJJLCJX-LMMKCTJWSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171634701 793171676 /nfs/dbraw/zinc/17/16/76/793171676.db2.gz WXHDTUATPWPDFB-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCOC1CCC([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001173321038 793677652 /nfs/dbraw/zinc/67/76/52/793677652.db2.gz VNCUUXBRCQVBDE-WZOJCFFYSA-N 2 1 321.509 2.210 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368264 794060787 /nfs/dbraw/zinc/06/07/87/794060787.db2.gz SALWNNMYWHCYPN-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368264 794060793 /nfs/dbraw/zinc/06/07/93/794060793.db2.gz SALWNNMYWHCYPN-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368264 794060802 /nfs/dbraw/zinc/06/08/02/794060802.db2.gz SALWNNMYWHCYPN-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544391 794139652 /nfs/dbraw/zinc/13/96/52/794139652.db2.gz NXMYNQFUUXZGGV-KZNAEPCWSA-N 2 1 321.509 2.060 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103755404 794213606 /nfs/dbraw/zinc/21/36/06/794213606.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103755404 794213612 /nfs/dbraw/zinc/21/36/12/794213612.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103755404 794213619 /nfs/dbraw/zinc/21/36/19/794213619.db2.gz GBYXBHQDITWZKJ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590597 794451930 /nfs/dbraw/zinc/45/19/30/794451930.db2.gz BWFDQDCUYQNNHU-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004482 794543163 /nfs/dbraw/zinc/54/31/63/794543163.db2.gz FBOCWXQMFIKTPJ-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115573876 794826402 /nfs/dbraw/zinc/82/64/02/794826402.db2.gz XBFBTGRBQQTQDQ-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591945 794831809 /nfs/dbraw/zinc/83/18/09/794831809.db2.gz LVCCGRVXGIPUNH-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115731182 794899748 /nfs/dbraw/zinc/89/97/48/794899748.db2.gz ZHAADVNMVJGVAS-UHFFFAOYSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001178468630 794931759 /nfs/dbraw/zinc/93/17/59/794931759.db2.gz VMGCYNOFTZVHPV-KRWDZBQOSA-N 2 1 307.482 2.149 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811384 795002272 /nfs/dbraw/zinc/00/22/72/795002272.db2.gz UEARESFVMZLCBD-MSOLQXFVSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546362 795135696 /nfs/dbraw/zinc/13/56/96/795135696.db2.gz MXJUEMPETKEYAY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCn1cc(CN2CCC[C@H](Cc3[nH+]ccn3C)C2)nn1 ZINC001118630129 795207940 /nfs/dbraw/zinc/20/79/40/795207940.db2.gz YMFSDNYDJLBGRC-OAHLLOKOSA-N 2 1 314.437 2.042 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001180352280 795280092 /nfs/dbraw/zinc/28/00/92/795280092.db2.gz NTXIUZKYQVBWPI-CALCHBBNSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCN1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268408 795299087 /nfs/dbraw/zinc/29/90/87/795299087.db2.gz KORKPPBEXMQGSN-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130281 795410130 /nfs/dbraw/zinc/41/01/30/795410130.db2.gz UVEANAIHCRTENI-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423229 795456731 /nfs/dbraw/zinc/45/67/31/795456731.db2.gz SEYCJLPTORCFID-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171770 796202031 /nfs/dbraw/zinc/20/20/31/796202031.db2.gz XYXPPFSJBOANTN-IRXDYDNUSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185316928 796228007 /nfs/dbraw/zinc/22/80/07/796228007.db2.gz KVCCPHQZFDPJID-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203026687 796512130 /nfs/dbraw/zinc/51/21/30/796512130.db2.gz AMBXPDVIJJNXQT-HZPDHXFCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203043780 796533448 /nfs/dbraw/zinc/53/34/48/796533448.db2.gz FGORXZBKRXRUCE-DLBZAZTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690757 796706178 /nfs/dbraw/zinc/70/61/78/796706178.db2.gz PUYGRFDYWJQPRQ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673333 796709983 /nfs/dbraw/zinc/70/99/83/796709983.db2.gz JIINLXRXJBJMGY-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420437 796756098 /nfs/dbraw/zinc/75/60/98/796756098.db2.gz UHMWYNLPDDDVJG-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083916 796934459 /nfs/dbraw/zinc/93/44/59/796934459.db2.gz HKFHCDOVZWZCEE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083916 796934462 /nfs/dbraw/zinc/93/44/62/796934462.db2.gz HKFHCDOVZWZCEE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083916 796934467 /nfs/dbraw/zinc/93/44/67/796934467.db2.gz HKFHCDOVZWZCEE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656942 797049985 /nfs/dbraw/zinc/04/99/85/797049985.db2.gz YEKUHEQUXMENRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656942 797049992 /nfs/dbraw/zinc/04/99/92/797049992.db2.gz YEKUHEQUXMENRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656942 797049998 /nfs/dbraw/zinc/04/99/98/797049998.db2.gz YEKUHEQUXMENRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152529493 797199635 /nfs/dbraw/zinc/19/96/35/797199635.db2.gz PZFSADGBBJUGNH-NVXWUHKLSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293305 797356207 /nfs/dbraw/zinc/35/62/07/797356207.db2.gz HRLXRDJEKYDFHN-CABCVRRESA-N 2 1 316.449 2.329 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814454 797402094 /nfs/dbraw/zinc/40/20/94/797402094.db2.gz GOBNUHQNZSCOML-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814454 797402096 /nfs/dbraw/zinc/40/20/96/797402096.db2.gz GOBNUHQNZSCOML-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814454 797402100 /nfs/dbraw/zinc/40/21/00/797402100.db2.gz GOBNUHQNZSCOML-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C/CC ZINC001153891213 797418626 /nfs/dbraw/zinc/41/86/26/797418626.db2.gz QXIOJPVGPUKRCK-NUQYTELCSA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CC ZINC001153891213 797418629 /nfs/dbraw/zinc/41/86/29/797418629.db2.gz QXIOJPVGPUKRCK-NUQYTELCSA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC/C=C/CC ZINC001153891213 797418630 /nfs/dbraw/zinc/41/86/30/797418630.db2.gz QXIOJPVGPUKRCK-NUQYTELCSA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC/C=C/CC ZINC001153891213 797418632 /nfs/dbraw/zinc/41/86/32/797418632.db2.gz QXIOJPVGPUKRCK-NUQYTELCSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930519 797425357 /nfs/dbraw/zinc/42/53/57/797425357.db2.gz NVCVRYVERVRQEV-KGLIPLIRSA-N 2 1 303.878 2.152 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930519 797425364 /nfs/dbraw/zinc/42/53/64/797425364.db2.gz NVCVRYVERVRQEV-KGLIPLIRSA-N 2 1 303.878 2.152 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791398 797699480 /nfs/dbraw/zinc/69/94/80/797699480.db2.gz IEIQGUUFMCRAGC-JKSUJKDBSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449883 797726123 /nfs/dbraw/zinc/72/61/23/797726123.db2.gz YODXOPSSYTYPEZ-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449883 797726126 /nfs/dbraw/zinc/72/61/26/797726126.db2.gz YODXOPSSYTYPEZ-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449883 797726129 /nfs/dbraw/zinc/72/61/29/797726129.db2.gz YODXOPSSYTYPEZ-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449883 797726132 /nfs/dbraw/zinc/72/61/32/797726132.db2.gz YODXOPSSYTYPEZ-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156307066 797970995 /nfs/dbraw/zinc/97/09/95/797970995.db2.gz ZKYIQHQZYSSDON-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156307066 797970999 /nfs/dbraw/zinc/97/09/99/797970999.db2.gz ZKYIQHQZYSSDON-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156307066 797971002 /nfs/dbraw/zinc/97/10/02/797971002.db2.gz ZKYIQHQZYSSDON-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132740 798149005 /nfs/dbraw/zinc/14/90/05/798149005.db2.gz NFBHLWKYMQHYLY-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132740 798149007 /nfs/dbraw/zinc/14/90/07/798149007.db2.gz NFBHLWKYMQHYLY-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228164 798364468 /nfs/dbraw/zinc/36/44/68/798364468.db2.gz WYGHIHLPWMZNLJ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228164 798364475 /nfs/dbraw/zinc/36/44/75/798364475.db2.gz WYGHIHLPWMZNLJ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158473384 798412760 /nfs/dbraw/zinc/41/27/60/798412760.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473384 798412767 /nfs/dbraw/zinc/41/27/67/798412767.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158473384 798412769 /nfs/dbraw/zinc/41/27/69/798412769.db2.gz KRLLUPHDTPUIMB-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646522 798443121 /nfs/dbraw/zinc/44/31/21/798443121.db2.gz PHPPAFUIHGVCJR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577746 798652550 /nfs/dbraw/zinc/65/25/50/798652550.db2.gz FSVSSFFNZLYLDI-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(CC)CC)CC1 ZINC001201093572 798711512 /nfs/dbraw/zinc/71/15/12/798711512.db2.gz DOOPJVQSRBEONK-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(CC)CC)CC1 ZINC001201093572 798711519 /nfs/dbraw/zinc/71/15/19/798711519.db2.gz DOOPJVQSRBEONK-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029086 798782628 /nfs/dbraw/zinc/78/26/28/798782628.db2.gz MMGSODXSPVGQAP-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029086 798782631 /nfs/dbraw/zinc/78/26/31/798782631.db2.gz MMGSODXSPVGQAP-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664134 798953237 /nfs/dbraw/zinc/95/32/37/798953237.db2.gz HIEOTIJYUXGJLE-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165471860 799734295 /nfs/dbraw/zinc/73/42/95/799734295.db2.gz BYVBAFOEACEXNN-QGZVFWFLSA-N 2 1 321.509 2.417 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241383 800327272 /nfs/dbraw/zinc/32/72/72/800327272.db2.gz CMISMUNWVMNWEX-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594426 800382010 /nfs/dbraw/zinc/38/20/10/800382010.db2.gz SFLWRZFXQOAGOF-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001207006924 800654367 /nfs/dbraw/zinc/65/43/67/800654367.db2.gz CKAZCICIARAHJP-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006924 800654374 /nfs/dbraw/zinc/65/43/74/800654374.db2.gz CKAZCICIARAHJP-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006924 800654378 /nfs/dbraw/zinc/65/43/78/800654378.db2.gz CKAZCICIARAHJP-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396027 800743883 /nfs/dbraw/zinc/74/38/83/800743883.db2.gz AQADEDKQIILFQN-RBUKOAKNSA-N 2 1 322.493 2.402 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164153 800855778 /nfs/dbraw/zinc/85/57/78/800855778.db2.gz LZYRQILQHFZDEX-ZJPYXAASSA-N 2 1 319.493 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073185 800906124 /nfs/dbraw/zinc/90/61/24/800906124.db2.gz DWWVEUCTSROSOO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334749 800957992 /nfs/dbraw/zinc/95/79/92/800957992.db2.gz LXHSAIPXKMWMPI-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208605900 801028995 /nfs/dbraw/zinc/02/89/95/801028995.db2.gz WUYIPJWMQKQUTR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208605900 801029001 /nfs/dbraw/zinc/02/90/01/801029001.db2.gz WUYIPJWMQKQUTR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605900 801029008 /nfs/dbraw/zinc/02/90/08/801029008.db2.gz WUYIPJWMQKQUTR-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609948 801031608 /nfs/dbraw/zinc/03/16/08/801031608.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609948 801031611 /nfs/dbraw/zinc/03/16/11/801031611.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609948 801031612 /nfs/dbraw/zinc/03/16/12/801031612.db2.gz XPQBCBMRJFTWQJ-OKZBNKHCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001209200188 801149522 /nfs/dbraw/zinc/14/95/22/801149522.db2.gz ICSTWILPZBEIPH-SFHVURJKSA-N 2 1 310.482 2.404 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565658 801220282 /nfs/dbraw/zinc/22/02/82/801220282.db2.gz GVAYBLVEQWGRRO-BRWVUGGUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725106 801264951 /nfs/dbraw/zinc/26/49/51/801264951.db2.gz HDRPUNKLALFTPA-MSOLQXFVSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725106 801264956 /nfs/dbraw/zinc/26/49/56/801264956.db2.gz HDRPUNKLALFTPA-MSOLQXFVSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221617003 802598513 /nfs/dbraw/zinc/59/85/13/802598513.db2.gz ZPNWZGZQXMYZHU-BRWVUGGUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001223410499 802787629 /nfs/dbraw/zinc/78/76/29/802787629.db2.gz BCMXOOQXGKZWPD-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226860937 803169806 /nfs/dbraw/zinc/16/98/06/803169806.db2.gz VEYGKZPABOAHMG-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(C)C ZINC001226860937 803169810 /nfs/dbraw/zinc/16/98/10/803169810.db2.gz VEYGKZPABOAHMG-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227093094 803198752 /nfs/dbraw/zinc/19/87/52/803198752.db2.gz ZZAAKWZQOCDLDD-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001227833168 803285844 /nfs/dbraw/zinc/28/58/44/803285844.db2.gz UXVJSOXBMZNVEX-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138703 803324323 /nfs/dbraw/zinc/32/43/23/803324323.db2.gz WTENMKSVPQZAOB-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228595775 803378420 /nfs/dbraw/zinc/37/84/20/803378420.db2.gz ZJXVYSFTZOBFDB-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001328684535 1148823881 /nfs/dbraw/zinc/82/38/81/1148823881.db2.gz ZNNRXIIGMYJIBA-FGTMMUONSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1cncn1C ZINC001328785009 1148834953 /nfs/dbraw/zinc/83/49/53/1148834953.db2.gz FTMAYQORFGGFMW-QGZVFWFLSA-N 2 1 318.465 2.242 20 30 DEEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CCC)CC1 ZINC001500048351 1058453081 /nfs/dbraw/zinc/45/30/81/1058453081.db2.gz IIPBWCIUYGPXQM-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403712 /nfs/dbraw/zinc/40/37/12/1059403712.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403716 /nfs/dbraw/zinc/40/37/16/1059403716.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001501243226 1059403719 /nfs/dbraw/zinc/40/37/19/1059403719.db2.gz WUVPWYNVVWPEBO-HDICACEKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001501715498 1059660904 /nfs/dbraw/zinc/66/09/04/1059660904.db2.gz JATPZLZEBFWVHT-QAQDUYKDSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001503200411 1060436949 /nfs/dbraw/zinc/43/69/49/1060436949.db2.gz KFYSGLATRSOZIO-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001479557705 1061501020 /nfs/dbraw/zinc/50/10/20/1061501020.db2.gz RFUIVKLBZNXSHV-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001479687379 1061598144 /nfs/dbraw/zinc/59/81/44/1061598144.db2.gz GARYNMJUSBPHDJ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729071 1061646948 /nfs/dbraw/zinc/64/69/48/1061646948.db2.gz HIJQQBWIQVBCEV-IKGGRYGDSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CCN(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001479737973 1061662351 /nfs/dbraw/zinc/66/23/51/1061662351.db2.gz RFMRSDMNFDCKMO-IRXDYDNUSA-N 2 1 316.449 2.170 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001479777677 1061734648 /nfs/dbraw/zinc/73/46/48/1061734648.db2.gz AMSIFDXYLSPSBX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001479777677 1061734676 /nfs/dbraw/zinc/73/46/76/1061734676.db2.gz AMSIFDXYLSPSBX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479777677 1061734700 /nfs/dbraw/zinc/73/47/00/1061734700.db2.gz AMSIFDXYLSPSBX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001480096858 1062321369 /nfs/dbraw/zinc/32/13/69/1062321369.db2.gz AICVUDVRNDSZHY-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480287653 1062590052 /nfs/dbraw/zinc/59/00/52/1062590052.db2.gz FZMDUJZHUZXVIC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480368517 1062723023 /nfs/dbraw/zinc/72/30/23/1062723023.db2.gz ZEWBRNUWXLCFLP-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001507124920 1062877464 /nfs/dbraw/zinc/87/74/64/1062877464.db2.gz FQSAZJRHLHOCJH-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507162103 1062936868 /nfs/dbraw/zinc/93/68/68/1062936868.db2.gz ONDQVLRSLGIAFJ-GDBMZVCRSA-N 2 1 323.868 2.478 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358851 1063151014 /nfs/dbraw/zinc/15/10/14/1063151014.db2.gz XXIOASWPMPEQGH-WMZOPIPTSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001480824716 1063406405 /nfs/dbraw/zinc/40/64/05/1063406405.db2.gz WUKDERJXJRNOEI-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001480824716 1063406418 /nfs/dbraw/zinc/40/64/18/1063406418.db2.gz WUKDERJXJRNOEI-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969363 1064049916 /nfs/dbraw/zinc/04/99/16/1064049916.db2.gz ZPXLKGNUWBLAIR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493969363 1064049919 /nfs/dbraw/zinc/04/99/19/1064049919.db2.gz ZPXLKGNUWBLAIR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493969363 1064049924 /nfs/dbraw/zinc/04/99/24/1064049924.db2.gz ZPXLKGNUWBLAIR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030503 1064091340 /nfs/dbraw/zinc/09/13/40/1064091340.db2.gz PMJHPZCRQOJDLD-QGZVFWFLSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136426 1064135525 /nfs/dbraw/zinc/13/55/25/1064135525.db2.gz DDAYKLLONRBFHB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494136426 1064135528 /nfs/dbraw/zinc/13/55/28/1064135528.db2.gz DDAYKLLONRBFHB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494136426 1064135531 /nfs/dbraw/zinc/13/55/31/1064135531.db2.gz DDAYKLLONRBFHB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001567455452 1064206425 /nfs/dbraw/zinc/20/64/25/1064206425.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001567455452 1064206432 /nfs/dbraw/zinc/20/64/32/1064206432.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001567455452 1064206435 /nfs/dbraw/zinc/20/64/35/1064206435.db2.gz BRKIYCLDBZCBHU-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001567455451 1064206544 /nfs/dbraw/zinc/20/65/44/1064206544.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001567455451 1064206551 /nfs/dbraw/zinc/20/65/51/1064206551.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001567455451 1064206560 /nfs/dbraw/zinc/20/65/60/1064206560.db2.gz BRKIYCLDBZCBHU-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001567628108 1064289346 /nfs/dbraw/zinc/28/93/46/1064289346.db2.gz JONBPKHJYPRDDM-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001567634826 1064296451 /nfs/dbraw/zinc/29/64/51/1064296451.db2.gz RNKFTTHFVYUOFZ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567688984 1064346139 /nfs/dbraw/zinc/34/61/39/1064346139.db2.gz OWTZVHQPLBMIMD-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567742938 1064396252 /nfs/dbraw/zinc/39/62/52/1064396252.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742938 1064396262 /nfs/dbraw/zinc/39/62/62/1064396262.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742938 1064396276 /nfs/dbraw/zinc/39/62/76/1064396276.db2.gz VODWPWJTGKKJNJ-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567742940 1064396777 /nfs/dbraw/zinc/39/67/77/1064396777.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742940 1064396787 /nfs/dbraw/zinc/39/67/87/1064396787.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742940 1064396799 /nfs/dbraw/zinc/39/67/99/1064396799.db2.gz VODWPWJTGKKJNJ-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001567752619 1064403631 /nfs/dbraw/zinc/40/36/31/1064403631.db2.gz BJZQKVSEGUXQIK-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567840801 1064455096 /nfs/dbraw/zinc/45/50/96/1064455096.db2.gz GCACWAMJLIPPKC-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494834778 1064497957 /nfs/dbraw/zinc/49/79/57/1064497957.db2.gz RPHPJBQHGJEENS-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494834778 1064497966 /nfs/dbraw/zinc/49/79/66/1064497966.db2.gz RPHPJBQHGJEENS-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001494834778 1064497973 /nfs/dbraw/zinc/49/79/73/1064497973.db2.gz RPHPJBQHGJEENS-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902244 1064559485 /nfs/dbraw/zinc/55/94/85/1064559485.db2.gz URQGLJYFOMQGOH-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902244 1064559496 /nfs/dbraw/zinc/55/94/96/1064559496.db2.gz URQGLJYFOMQGOH-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001494909501 1064566573 /nfs/dbraw/zinc/56/65/73/1064566573.db2.gz GWVDUDXSGJCNMH-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001494909501 1064566591 /nfs/dbraw/zinc/56/65/91/1064566591.db2.gz GWVDUDXSGJCNMH-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494909501 1064566609 /nfs/dbraw/zinc/56/66/09/1064566609.db2.gz GWVDUDXSGJCNMH-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@H]1C ZINC001568043481 1064614900 /nfs/dbraw/zinc/61/49/00/1064614900.db2.gz KWMVYZLQVUPTAH-SJLPKXTDSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001568294934 1064759465 /nfs/dbraw/zinc/75/94/65/1064759465.db2.gz KYFLVDGXVQBULS-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495369545 1064865458 /nfs/dbraw/zinc/86/54/58/1064865458.db2.gz GELVZRURSAFAAH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001568438724 1064873095 /nfs/dbraw/zinc/87/30/95/1064873095.db2.gz RTFPXHOWKIWVIN-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568438724 1064873070 /nfs/dbraw/zinc/87/30/70/1064873070.db2.gz RTFPXHOWKIWVIN-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001568438724 1064873079 /nfs/dbraw/zinc/87/30/79/1064873079.db2.gz RTFPXHOWKIWVIN-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001568491326 1064909085 /nfs/dbraw/zinc/90/90/85/1064909085.db2.gz OMOVJRFUCVYQLH-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001568497721 1064911248 /nfs/dbraw/zinc/91/12/48/1064911248.db2.gz NTOZWFYTHTVQMK-UHFFFAOYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001568497721 1064911253 /nfs/dbraw/zinc/91/12/53/1064911253.db2.gz NTOZWFYTHTVQMK-UHFFFAOYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925819 /nfs/dbraw/zinc/92/58/19/1064925819.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925823 /nfs/dbraw/zinc/92/58/23/1064925823.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001568513429 1064925830 /nfs/dbraw/zinc/92/58/30/1064925830.db2.gz LFQDKXKGNAUDQM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001569135710 1065312661 /nfs/dbraw/zinc/31/26/61/1065312661.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135710 1065312676 /nfs/dbraw/zinc/31/26/76/1065312676.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135710 1065312688 /nfs/dbraw/zinc/31/26/88/1065312688.db2.gz ZUGVHNVLKUCEDJ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496316110 1065404195 /nfs/dbraw/zinc/40/41/95/1065404195.db2.gz YBWSQAIVNHCFLX-QZTJIDSGSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001569321523 1065427082 /nfs/dbraw/zinc/42/70/82/1065427082.db2.gz QMCFXTKFPDPZTM-IAGOWNOFSA-N 2 1 307.482 2.310 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381605 1065474860 /nfs/dbraw/zinc/47/48/60/1065474860.db2.gz UGISBYHIAKLMRS-INIZCTEOSA-N 2 1 307.482 2.243 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001496452074 1065480920 /nfs/dbraw/zinc/48/09/20/1065480920.db2.gz RMILUHKHNVVRPN-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001496488823 1065505584 /nfs/dbraw/zinc/50/55/84/1065505584.db2.gz CKOGLXKKPXIEJH-IUODEOHRSA-N 2 1 324.856 2.161 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001569603805 1065617579 /nfs/dbraw/zinc/61/75/79/1065617579.db2.gz FYRWKBWSDFAWGW-OKZBNKHCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914425 1065819832 /nfs/dbraw/zinc/81/98/32/1065819832.db2.gz FKOQMYBGFCMVEL-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914425 1065819850 /nfs/dbraw/zinc/81/98/50/1065819850.db2.gz FKOQMYBGFCMVEL-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001570016794 1065884780 /nfs/dbraw/zinc/88/47/80/1065884780.db2.gz KCAZHGWXWWLSGW-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001497257745 1065993250 /nfs/dbraw/zinc/99/32/50/1065993250.db2.gz VTJIWACOMXOXGQ-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001570263425 1065996645 /nfs/dbraw/zinc/99/66/45/1065996645.db2.gz OGCOJENVTWZZOK-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497677861 1066233222 /nfs/dbraw/zinc/23/32/22/1066233222.db2.gz BTBVFXAKIIAIGP-TUYSUELWSA-N 2 1 311.445 2.037 20 30 DEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC001576635731 1066650265 /nfs/dbraw/zinc/65/02/65/1066650265.db2.gz DAYFEERQMZDHTD-SWKXRBFHSA-N 2 1 322.497 2.222 20 30 DEEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC001576635731 1066650268 /nfs/dbraw/zinc/65/02/68/1066650268.db2.gz DAYFEERQMZDHTD-SWKXRBFHSA-N 2 1 322.497 2.222 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498487420 1066739502 /nfs/dbraw/zinc/73/95/02/1066739502.db2.gz GHZLBVZGOYYHDQ-IAGOWNOFSA-N 2 1 321.509 2.252 20 30 DEEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001499530213 1067249178 /nfs/dbraw/zinc/24/91/78/1067249178.db2.gz FWMYQNXTLTVMKW-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066759 1067488156 /nfs/dbraw/zinc/48/81/56/1067488156.db2.gz SOFXIFMWIVNEGF-RBUKOAKNSA-N 2 1 311.429 2.291 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267182131 1078646362 /nfs/dbraw/zinc/64/63/62/1078646362.db2.gz VEOPRXAHCSALPA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267182131 1078646364 /nfs/dbraw/zinc/64/63/64/1078646364.db2.gz VEOPRXAHCSALPA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267182131 1078646367 /nfs/dbraw/zinc/64/63/67/1078646367.db2.gz VEOPRXAHCSALPA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCC1 ZINC001570716292 1068092627 /nfs/dbraw/zinc/09/26/27/1068092627.db2.gz PLVOOQDROVWCPC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCC1 ZINC001570716292 1068092640 /nfs/dbraw/zinc/09/26/40/1068092640.db2.gz PLVOOQDROVWCPC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC1CCC1 ZINC001570716292 1068092655 /nfs/dbraw/zinc/09/26/55/1068092655.db2.gz PLVOOQDROVWCPC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCC1 ZINC001570716292 1068092668 /nfs/dbraw/zinc/09/26/68/1068092668.db2.gz PLVOOQDROVWCPC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001570822422 1068129510 /nfs/dbraw/zinc/12/95/10/1068129510.db2.gz CWFUGPUBHHZWBC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822422 1068129516 /nfs/dbraw/zinc/12/95/16/1068129516.db2.gz CWFUGPUBHHZWBC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822422 1068129519 /nfs/dbraw/zinc/12/95/19/1068129519.db2.gz CWFUGPUBHHZWBC-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001571645895 1068457024 /nfs/dbraw/zinc/45/70/24/1068457024.db2.gz XSXYVEYDJVQLJZ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001571689251 1068481553 /nfs/dbraw/zinc/48/15/53/1068481553.db2.gz PSHMTMAWTMKBKC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001571689251 1068481560 /nfs/dbraw/zinc/48/15/60/1068481560.db2.gz PSHMTMAWTMKBKC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001571689251 1068481564 /nfs/dbraw/zinc/48/15/64/1068481564.db2.gz PSHMTMAWTMKBKC-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325095 1078765738 /nfs/dbraw/zinc/76/57/38/1078765738.db2.gz CEVFDIMRKWTHSJ-CRAIPNDOSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267566558 1079000561 /nfs/dbraw/zinc/00/05/61/1079000561.db2.gz GGSYRIKZIRRISN-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593987 1079109164 /nfs/dbraw/zinc/10/91/64/1079109164.db2.gz WMZUIDOLXQAKSP-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593986 1079109242 /nfs/dbraw/zinc/10/92/42/1079109242.db2.gz WMZUIDOLXQAKSP-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001483806532 1079134042 /nfs/dbraw/zinc/13/40/42/1079134042.db2.gz CSNBEBRCGNZPTJ-ALOPSCKCSA-N 2 1 316.449 2.269 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811659 1079135284 /nfs/dbraw/zinc/13/52/84/1079135284.db2.gz VWASOLSEOOIORM-BBWFWOEESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484160431 1079334285 /nfs/dbraw/zinc/33/42/85/1079334285.db2.gz FXIHHYQZQFRFQA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001565828256 1075191118 /nfs/dbraw/zinc/19/11/18/1075191118.db2.gz LNTRPBKKRKAVQW-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130999 1075235069 /nfs/dbraw/zinc/23/50/69/1075235069.db2.gz FOKAHPPWNBOJNB-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566626334 1075299971 /nfs/dbraw/zinc/29/99/71/1075299971.db2.gz JAKOTRKJJXHQMQ-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001566733650 1075329066 /nfs/dbraw/zinc/32/90/66/1075329066.db2.gz VFGONJJTKQHBDC-ZWKOTPCHSA-N 2 1 315.461 2.350 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001595791215 1077068689 /nfs/dbraw/zinc/06/86/89/1077068689.db2.gz XMUWHGUVNBBYEW-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001595791215 1077068693 /nfs/dbraw/zinc/06/86/93/1077068693.db2.gz XMUWHGUVNBBYEW-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267807163 1079508432 /nfs/dbraw/zinc/50/84/32/1079508432.db2.gz SQJZJYYKWKHUAD-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001267874438 1079562713 /nfs/dbraw/zinc/56/27/13/1079562713.db2.gz UIMGBFIXNXWWMV-SJLPKXTDSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484412054 1079597534 /nfs/dbraw/zinc/59/75/34/1079597534.db2.gz IKXWBGWPESWUED-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001267974086 1079656977 /nfs/dbraw/zinc/65/69/77/1079656977.db2.gz MIJZDTCIYSVPIY-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCC)CC1 ZINC001484716503 1079741842 /nfs/dbraw/zinc/74/18/42/1079741842.db2.gz LBHFKQUDBITCDI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCC)CC1 ZINC001484716503 1079741849 /nfs/dbraw/zinc/74/18/49/1079741849.db2.gz LBHFKQUDBITCDI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCC)CC1 ZINC001484716503 1079741853 /nfs/dbraw/zinc/74/18/53/1079741853.db2.gz LBHFKQUDBITCDI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCC)CC1 ZINC001484716503 1079741859 /nfs/dbraw/zinc/74/18/59/1079741859.db2.gz LBHFKQUDBITCDI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCC)CC1 ZINC001484716503 1079741863 /nfs/dbraw/zinc/74/18/63/1079741863.db2.gz LBHFKQUDBITCDI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484813343 1079805465 /nfs/dbraw/zinc/80/54/65/1079805465.db2.gz OCJDHNSSYYLKCB-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(C)C)CC1 ZINC001484917345 1079851916 /nfs/dbraw/zinc/85/19/16/1079851916.db2.gz DWQZJWZFHWPVTQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(C)C)CC1 ZINC001484917345 1079851919 /nfs/dbraw/zinc/85/19/19/1079851919.db2.gz DWQZJWZFHWPVTQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001268037463 1079872164 /nfs/dbraw/zinc/87/21/64/1079872164.db2.gz JCESNOGOJGNZAI-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481527205 1080001196 /nfs/dbraw/zinc/00/11/96/1080001196.db2.gz QMSQVXHXKUQDGE-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481527205 1080001208 /nfs/dbraw/zinc/00/12/08/1080001208.db2.gz QMSQVXHXKUQDGE-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1CC ZINC001656763757 1080121154 /nfs/dbraw/zinc/12/11/54/1080121154.db2.gz NTAINCYHDKDSEO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001485506830 1080267374 /nfs/dbraw/zinc/26/73/74/1080267374.db2.gz QXYYWFWJBAKKGK-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001485592896 1080320494 /nfs/dbraw/zinc/32/04/94/1080320494.db2.gz CSYRHSUEPCSJRI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485592896 1080320499 /nfs/dbraw/zinc/32/04/99/1080320499.db2.gz CSYRHSUEPCSJRI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485592896 1080320504 /nfs/dbraw/zinc/32/05/04/1080320504.db2.gz CSYRHSUEPCSJRI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001485707103 1080373118 /nfs/dbraw/zinc/37/31/18/1080373118.db2.gz SLUPBSKRDTVWBA-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268373708 1080386818 /nfs/dbraw/zinc/38/68/18/1080386818.db2.gz RKKYHOQRACPCKU-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001660833818 1080404925 /nfs/dbraw/zinc/40/49/25/1080404925.db2.gz VDLVZGRUSMUPBM-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001660833818 1080404927 /nfs/dbraw/zinc/40/49/27/1080404927.db2.gz VDLVZGRUSMUPBM-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001660833818 1080404928 /nfs/dbraw/zinc/40/49/28/1080404928.db2.gz VDLVZGRUSMUPBM-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001485759082 1080410992 /nfs/dbraw/zinc/41/09/92/1080410992.db2.gz HSWLOKBEZFMNQQ-HUUCEWRRSA-N 2 1 302.422 2.012 20 30 DEEDMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001485759082 1080410996 /nfs/dbraw/zinc/41/09/96/1080410996.db2.gz HSWLOKBEZFMNQQ-HUUCEWRRSA-N 2 1 302.422 2.012 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001485759082 1080410998 /nfs/dbraw/zinc/41/09/98/1080410998.db2.gz HSWLOKBEZFMNQQ-HUUCEWRRSA-N 2 1 302.422 2.012 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001661215798 1080457828 /nfs/dbraw/zinc/45/78/28/1080457828.db2.gz CNCPKNKVSIVVJO-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001661215798 1080457833 /nfs/dbraw/zinc/45/78/33/1080457833.db2.gz CNCPKNKVSIVVJO-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556189 1080494146 /nfs/dbraw/zinc/49/41/46/1080494146.db2.gz QUEQCOFZAHTFFB-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458212 1080522923 /nfs/dbraw/zinc/52/29/23/1080522923.db2.gz HFDRCUFZPRVERL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481975132 1080662037 /nfs/dbraw/zinc/66/20/37/1080662037.db2.gz QLYAOAKOVSZTEU-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001481999845 1080680961 /nfs/dbraw/zinc/68/09/61/1080680961.db2.gz XNYXTKWNLLZMPV-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001664457393 1080912386 /nfs/dbraw/zinc/91/23/86/1080912386.db2.gz NLVVUZOPUDKIEW-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001664574127 1080927821 /nfs/dbraw/zinc/92/78/21/1080927821.db2.gz PKXPHQMCXVSUDU-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001664876282 1080975555 /nfs/dbraw/zinc/97/55/55/1080975555.db2.gz QDADEBSQUTUHJQ-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001664876282 1080975562 /nfs/dbraw/zinc/97/55/62/1080975562.db2.gz QDADEBSQUTUHJQ-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001664876282 1080975568 /nfs/dbraw/zinc/97/55/68/1080975568.db2.gz QDADEBSQUTUHJQ-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001665200007 1080999679 /nfs/dbraw/zinc/99/96/79/1080999679.db2.gz HUPWDPIBPKHKJU-DOTOQJQBSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001665200007 1080999685 /nfs/dbraw/zinc/99/96/85/1080999685.db2.gz HUPWDPIBPKHKJU-DOTOQJQBSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001666252960 1081137220 /nfs/dbraw/zinc/13/72/20/1081137220.db2.gz QDAFQJSYFGCQCX-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666364098 1081147929 /nfs/dbraw/zinc/14/79/29/1081147929.db2.gz GFDCOUKOUJKRLI-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001666379098 1081149054 /nfs/dbraw/zinc/14/90/54/1081149054.db2.gz IKJDHCHNELFGPX-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001667426793 1081250722 /nfs/dbraw/zinc/25/07/22/1081250722.db2.gz YWQCBIXEHPDAOA-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001667426793 1081250726 /nfs/dbraw/zinc/25/07/26/1081250726.db2.gz YWQCBIXEHPDAOA-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001667426793 1081250733 /nfs/dbraw/zinc/25/07/33/1081250733.db2.gz YWQCBIXEHPDAOA-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001667584857 1081266278 /nfs/dbraw/zinc/26/62/78/1081266278.db2.gz IFOYWOCAODMSMT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001667584857 1081266282 /nfs/dbraw/zinc/26/62/82/1081266282.db2.gz IFOYWOCAODMSMT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001667584857 1081266287 /nfs/dbraw/zinc/26/62/87/1081266287.db2.gz IFOYWOCAODMSMT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667647960 1081270149 /nfs/dbraw/zinc/27/01/49/1081270149.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001667647960 1081270153 /nfs/dbraw/zinc/27/01/53/1081270153.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001667647960 1081270158 /nfs/dbraw/zinc/27/01/58/1081270158.db2.gz OYDZTBIYCZDWGT-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668863909 1081404711 /nfs/dbraw/zinc/40/47/11/1081404711.db2.gz AJAFKBGRPPONGH-RTRPANQVSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270249822 1081485929 /nfs/dbraw/zinc/48/59/29/1081485929.db2.gz LHZOTXKBUZTWBI-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCCCC)CC1 ZINC001270295969 1081496272 /nfs/dbraw/zinc/49/62/72/1081496272.db2.gz INPVCMBWINJIBZ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001671842846 1081542506 /nfs/dbraw/zinc/54/25/06/1081542506.db2.gz PNXHOBJHCIAZCR-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001674032921 1081830624 /nfs/dbraw/zinc/83/06/24/1081830624.db2.gz BTAKXULBDAHETE-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001270912042 1081834630 /nfs/dbraw/zinc/83/46/30/1081834630.db2.gz UREGEDMZABQNHH-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001674348195 1081862708 /nfs/dbraw/zinc/86/27/08/1081862708.db2.gz OZNXJQKMEKNBOO-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001674348195 1081862717 /nfs/dbraw/zinc/86/27/17/1081862717.db2.gz OZNXJQKMEKNBOO-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001674348195 1081862723 /nfs/dbraw/zinc/86/27/23/1081862723.db2.gz OZNXJQKMEKNBOO-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486391 1081880629 /nfs/dbraw/zinc/88/06/29/1081880629.db2.gz JZEMMIQIVOVUJF-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266333009 1081976908 /nfs/dbraw/zinc/97/69/08/1081976908.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266333009 1081976901 /nfs/dbraw/zinc/97/69/01/1081976901.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266333009 1081976916 /nfs/dbraw/zinc/97/69/16/1081976916.db2.gz FFBBFZLOYXXQSV-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001670595683 1082190909 /nfs/dbraw/zinc/19/09/09/1082190909.db2.gz OMRZSDNQDTWETJ-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266614586 1082214134 /nfs/dbraw/zinc/21/41/34/1082214134.db2.gz JXJCOOGVIDJJPF-BQFCYCMXSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001266662253 1082257395 /nfs/dbraw/zinc/25/73/95/1082257395.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662253 1082257402 /nfs/dbraw/zinc/25/74/02/1082257402.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662253 1082257409 /nfs/dbraw/zinc/25/74/09/1082257409.db2.gz DEKUVTIYBDAFSK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001266663268 1082257858 /nfs/dbraw/zinc/25/78/58/1082257858.db2.gz NFFCPFWZICKKIY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663268 1082257863 /nfs/dbraw/zinc/25/78/63/1082257863.db2.gz NFFCPFWZICKKIY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001266663268 1082257865 /nfs/dbraw/zinc/25/78/65/1082257865.db2.gz NFFCPFWZICKKIY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272046688 1082332819 /nfs/dbraw/zinc/33/28/19/1082332819.db2.gz YROMLMOGFQTGOA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046688 1082332826 /nfs/dbraw/zinc/33/28/26/1082332826.db2.gz YROMLMOGFQTGOA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046688 1082332831 /nfs/dbraw/zinc/33/28/31/1082332831.db2.gz YROMLMOGFQTGOA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533775 1083465958 /nfs/dbraw/zinc/46/59/58/1083465958.db2.gz GEFOJMGZPUXBTN-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276858990 1083652017 /nfs/dbraw/zinc/65/20/17/1083652017.db2.gz UYCUVANRUWSFBF-OALUTQOASA-N 2 1 312.461 2.077 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001490893796 1083832746 /nfs/dbraw/zinc/83/27/46/1083832746.db2.gz ULZITZJSMVSXMT-RBSFLKMASA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001490902004 1083875124 /nfs/dbraw/zinc/87/51/24/1083875124.db2.gz BFFVDKDLCZLRPS-QAETUUGQSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001277735178 1084120133 /nfs/dbraw/zinc/12/01/33/1084120133.db2.gz LVIWHCAFWWQTTO-ZWKOTPCHSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277780062 1084145673 /nfs/dbraw/zinc/14/56/73/1084145673.db2.gz ZXAFBESLNMEMNM-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001671736285 1084163531 /nfs/dbraw/zinc/16/35/31/1084163531.db2.gz RCVPWYUKMVEVJC-JZXOWHBKSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001670984535 1084183732 /nfs/dbraw/zinc/18/37/32/1084183732.db2.gz AVCZRNBHZQJFCL-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001670984535 1084183739 /nfs/dbraw/zinc/18/37/39/1084183739.db2.gz AVCZRNBHZQJFCL-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001670984535 1084183743 /nfs/dbraw/zinc/18/37/43/1084183743.db2.gz AVCZRNBHZQJFCL-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001491287943 1084212530 /nfs/dbraw/zinc/21/25/30/1084212530.db2.gz QGQIRGJHGJFHCU-CABCVRRESA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001491338225 1084242004 /nfs/dbraw/zinc/24/20/04/1084242004.db2.gz RNDIEIGXZYXVRK-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491338225 1084242011 /nfs/dbraw/zinc/24/20/11/1084242011.db2.gz RNDIEIGXZYXVRK-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491338225 1084242019 /nfs/dbraw/zinc/24/20/19/1084242019.db2.gz RNDIEIGXZYXVRK-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277951007 1084454281 /nfs/dbraw/zinc/45/42/81/1084454281.db2.gz BUGPCCVNVYIPJQ-GOSISDBHSA-N 2 1 306.498 2.420 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486449833 1085321600 /nfs/dbraw/zinc/32/16/00/1085321600.db2.gz RQFQIIQAGPSCSC-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961950393 1085918523 /nfs/dbraw/zinc/91/85/23/1085918523.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961950393 1085918533 /nfs/dbraw/zinc/91/85/33/1085918533.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961950393 1085918541 /nfs/dbraw/zinc/91/85/41/1085918541.db2.gz XDAAJGZZWJGUGK-XWTMOSNGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038875 1086064172 /nfs/dbraw/zinc/06/41/72/1086064172.db2.gz JUYKQRXJDNKYOR-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000963421437 1086449421 /nfs/dbraw/zinc/44/94/21/1086449421.db2.gz SVLLQGHVDRTGJP-GPANFISMSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273145121 1086867362 /nfs/dbraw/zinc/86/73/62/1086867362.db2.gz UUPOKHNUBQCFIR-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145121 1086867372 /nfs/dbraw/zinc/86/73/72/1086867372.db2.gz UUPOKHNUBQCFIR-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145121 1086867379 /nfs/dbraw/zinc/86/73/79/1086867379.db2.gz UUPOKHNUBQCFIR-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345621 1090273409 /nfs/dbraw/zinc/27/34/09/1090273409.db2.gz JEUAOTQTBJNFPF-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289078 /nfs/dbraw/zinc/28/90/78/1090289078.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289082 /nfs/dbraw/zinc/28/90/82/1090289082.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398557 1090289091 /nfs/dbraw/zinc/28/90/91/1090289091.db2.gz FONVLUWASSAVDG-KZNAEPCWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001274344922 1091195494 /nfs/dbraw/zinc/19/54/94/1091195494.db2.gz IJWKRXJXXFVENB-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459849 1091255493 /nfs/dbraw/zinc/25/54/93/1091255493.db2.gz FQLNTNUQSQSMEM-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276042252 1091470805 /nfs/dbraw/zinc/47/08/05/1091470805.db2.gz XTHWFHJGGPJAQW-HDICACEKSA-N 2 1 309.498 2.070 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001275054214 1091533438 /nfs/dbraw/zinc/53/34/38/1091533438.db2.gz HYHUFVHDHXFROQ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001276146727 1091598111 /nfs/dbraw/zinc/59/81/11/1091598111.db2.gz JAWABXBEIYLURJ-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001276201101 1091682233 /nfs/dbraw/zinc/68/22/33/1091682233.db2.gz ZWGJPSBRXAJCFB-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769129 /nfs/dbraw/zinc/76/91/29/1091769129.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769138 /nfs/dbraw/zinc/76/91/38/1091769138.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445293 1091769146 /nfs/dbraw/zinc/76/91/46/1091769146.db2.gz LJOAXWURTIISFX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001490838456 1091816778 /nfs/dbraw/zinc/81/67/78/1091816778.db2.gz ZFJJTZYNBVMEJS-QZWWFDLISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001488646986 1092657060 /nfs/dbraw/zinc/65/70/60/1092657060.db2.gz HNAAPJYMWSFXEI-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001489053724 1092911733 /nfs/dbraw/zinc/91/17/33/1092911733.db2.gz WNKZFVAGXVHARK-IKGGRYGDSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001489331235 1093022885 /nfs/dbraw/zinc/02/28/85/1093022885.db2.gz QEEPUNYCDKARGE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001489331235 1093022891 /nfs/dbraw/zinc/02/28/91/1093022891.db2.gz QEEPUNYCDKARGE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001489331235 1093022900 /nfs/dbraw/zinc/02/29/00/1093022900.db2.gz QEEPUNYCDKARGE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691742575 1138269315 /nfs/dbraw/zinc/26/93/15/1138269315.db2.gz BWOAKRQMFUIOOJ-IYBDPMFKSA-N 2 1 318.465 2.457 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278250158 1138857845 /nfs/dbraw/zinc/85/78/45/1138857845.db2.gz IPOFDFXDYKCVAT-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001318720321 1140394267 /nfs/dbraw/zinc/39/42/67/1140394267.db2.gz ROGOTMVFQURKGG-QGZVFWFLSA-N 2 1 304.438 2.067 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001319207676 1140526104 /nfs/dbraw/zinc/52/61/04/1140526104.db2.gz UKDLDOWDPUCMEX-HNNXBMFYSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001319378571 1140559611 /nfs/dbraw/zinc/55/96/11/1140559611.db2.gz DHQQCPMRPYDLBO-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCO[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001320090902 1140820508 /nfs/dbraw/zinc/82/05/08/1140820508.db2.gz FADLSQUJEUEBDY-LJQANCHMSA-N 2 1 315.461 2.215 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024325 1140849263 /nfs/dbraw/zinc/84/92/63/1140849263.db2.gz UTAHIABLYQNQOX-IAGOWNOFSA-N 2 1 300.487 2.274 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246306297 1140882739 /nfs/dbraw/zinc/88/27/39/1140882739.db2.gz VGMGAIHSHKVOCM-PBHICJAKSA-N 2 1 320.408 2.109 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCO[C@H](C)CC ZINC001246304139 1140882943 /nfs/dbraw/zinc/88/29/43/1140882943.db2.gz JKYUDEGPVUXLIW-OAGGEKHMSA-N 2 1 314.470 2.397 20 30 DEEDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361466 1140888095 /nfs/dbraw/zinc/88/80/95/1140888095.db2.gz LLPAYMWSCVQWCU-DNVCBOLYSA-N 2 1 312.461 2.253 20 30 DEEDMP N#CC1(c2ccccc2)CCC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246642991 1141019684 /nfs/dbraw/zinc/01/96/84/1141019684.db2.gz NTPUCQCJXPZIJL-SOAGJPPSSA-N 2 1 324.472 2.028 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246750638 1141049534 /nfs/dbraw/zinc/04/95/34/1141049534.db2.gz ZYIANWFSNXNCFU-WNRNVDISSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246750638 1141049544 /nfs/dbraw/zinc/04/95/44/1141049544.db2.gz ZYIANWFSNXNCFU-WNRNVDISSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001321211537 1141086742 /nfs/dbraw/zinc/08/67/42/1141086742.db2.gz ZZPIGMKLDYYHBZ-JTGQJZMRSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001252499162 1142736264 /nfs/dbraw/zinc/73/62/64/1142736264.db2.gz WXOSXYBOJHPBTO-QRQLOZEOSA-N 2 1 318.461 2.050 20 30 DEEDMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001253196198 1142852367 /nfs/dbraw/zinc/85/23/67/1142852367.db2.gz UEBXJLNQTJANSY-IBGZPJMESA-N 2 1 315.461 2.440 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254522567 1143200879 /nfs/dbraw/zinc/20/08/79/1143200879.db2.gz ORXHYADGVPGDBK-SQNIBIBYSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254522567 1143200904 /nfs/dbraw/zinc/20/09/04/1143200904.db2.gz ORXHYADGVPGDBK-SQNIBIBYSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254522567 1143200928 /nfs/dbraw/zinc/20/09/28/1143200928.db2.gz ORXHYADGVPGDBK-SQNIBIBYSA-N 2 1 308.466 2.297 20 30 DEEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001254638763 1143293553 /nfs/dbraw/zinc/29/35/53/1143293553.db2.gz QLWXXHCMKSLDDG-APWZRJJASA-N 2 1 312.461 2.216 20 30 DEEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC([NH+]2CCOCC2)CC1 ZINC001256697541 1143863043 /nfs/dbraw/zinc/86/30/43/1143863043.db2.gz FFYITVXFQVMIKF-AOLVMYGFSA-N 2 1 303.450 2.396 20 30 DEEDMP CCCCCCC[C@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258038676 1143968218 /nfs/dbraw/zinc/96/82/18/1143968218.db2.gz CHZBPCSBYQYXFA-KBPBESRZSA-N 2 1 314.474 2.130 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001263865842 1144416258 /nfs/dbraw/zinc/41/62/58/1144416258.db2.gz VYVDMSFXLCAGMY-QAETUUGQSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264030605 1144444602 /nfs/dbraw/zinc/44/46/02/1144444602.db2.gz UEDXTOUHUQRWHE-DJIMGWMZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094885 1144642071 /nfs/dbraw/zinc/64/20/71/1144642071.db2.gz KZVSCCNHXSXEGP-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233302 1144673299 /nfs/dbraw/zinc/67/32/99/1144673299.db2.gz QIPCQBDCOFVWNI-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265233302 1144673303 /nfs/dbraw/zinc/67/33/03/1144673303.db2.gz QIPCQBDCOFVWNI-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001265435683 1144703967 /nfs/dbraw/zinc/70/39/67/1144703967.db2.gz PLWFUZCSKRHKSL-VDZMMWBESA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C/CCC)C1 ZINC001265435683 1144703968 /nfs/dbraw/zinc/70/39/68/1144703968.db2.gz PLWFUZCSKRHKSL-VDZMMWBESA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265697166 1144729868 /nfs/dbraw/zinc/72/98/68/1144729868.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697166 1144729871 /nfs/dbraw/zinc/72/98/71/1144729871.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697166 1144729874 /nfs/dbraw/zinc/72/98/74/1144729874.db2.gz PCXOSJLRGMCJGI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265914775 1144756486 /nfs/dbraw/zinc/75/64/86/1144756486.db2.gz WJLBLWKSSMAKLP-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001279368055 1144821436 /nfs/dbraw/zinc/82/14/36/1144821436.db2.gz GPRBVBOJPUXGGY-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777199 1144854767 /nfs/dbraw/zinc/85/47/67/1144854767.db2.gz OCAJPFBOYWZESM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281035860 1144869453 /nfs/dbraw/zinc/86/94/53/1144869453.db2.gz DXCVQHABESVQLY-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001281969962 1144925615 /nfs/dbraw/zinc/92/56/15/1144925615.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001281969962 1144925616 /nfs/dbraw/zinc/92/56/16/1144925616.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001281969962 1144925617 /nfs/dbraw/zinc/92/56/17/1144925617.db2.gz XTLJMCKHYWWGRS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819700 1145171401 /nfs/dbraw/zinc/17/14/01/1145171401.db2.gz DPWMNJOHDALGFL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819700 1145171407 /nfs/dbraw/zinc/17/14/07/1145171407.db2.gz DPWMNJOHDALGFL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819700 1145171414 /nfs/dbraw/zinc/17/14/14/1145171414.db2.gz DPWMNJOHDALGFL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001283324814 1145362839 /nfs/dbraw/zinc/36/28/39/1145362839.db2.gz FYUMFHYZZMSIBD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001283324814 1145362845 /nfs/dbraw/zinc/36/28/45/1145362845.db2.gz FYUMFHYZZMSIBD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001283324814 1145362850 /nfs/dbraw/zinc/36/28/50/1145362850.db2.gz FYUMFHYZZMSIBD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634625 1145392054 /nfs/dbraw/zinc/39/20/54/1145392054.db2.gz JCCDTGFICPIGAH-PWIZWCRZSA-N 2 1 324.472 2.457 20 30 DEEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001364634606 1145392818 /nfs/dbraw/zinc/39/28/18/1145392818.db2.gz JCCDTGFICPIGAH-DBVUQKKJSA-N 2 1 324.472 2.457 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739107 1145527837 /nfs/dbraw/zinc/52/78/37/1145527837.db2.gz XNEPUFYUTMGPIR-AEFFLSMTSA-N 2 1 304.482 2.171 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001284058068 1145779048 /nfs/dbraw/zinc/77/90/48/1145779048.db2.gz PDJQKCGFMZIZMA-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284058068 1145779053 /nfs/dbraw/zinc/77/90/53/1145779053.db2.gz PDJQKCGFMZIZMA-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284058068 1145779060 /nfs/dbraw/zinc/77/90/60/1145779060.db2.gz PDJQKCGFMZIZMA-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccnc3C)CCC[C@H]12 ZINC001284072891 1145785490 /nfs/dbraw/zinc/78/54/90/1145785490.db2.gz XANIQIGUMZHQAL-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001284072891 1145785501 /nfs/dbraw/zinc/78/55/01/1145785501.db2.gz XANIQIGUMZHQAL-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001284072891 1145785507 /nfs/dbraw/zinc/78/55/07/1145785507.db2.gz XANIQIGUMZHQAL-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001284150272 1145808022 /nfs/dbraw/zinc/80/80/22/1145808022.db2.gz ALUMHRQEDLKICV-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491878086 1146947098 /nfs/dbraw/zinc/94/70/98/1146947098.db2.gz RHOYLPROIPQFTH-HZPDHXFCSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001366460808 1147294826 /nfs/dbraw/zinc/29/48/26/1147294826.db2.gz MSKRZOHCQLVIRX-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001316734479 1147358849 /nfs/dbraw/zinc/35/88/49/1147358849.db2.gz LUGMJRDNVBXOFL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001316734479 1147358855 /nfs/dbraw/zinc/35/88/55/1147358855.db2.gz LUGMJRDNVBXOFL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001316734479 1147358862 /nfs/dbraw/zinc/35/88/62/1147358862.db2.gz LUGMJRDNVBXOFL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317045504 1147652240 /nfs/dbraw/zinc/65/22/40/1147652240.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317045504 1147652242 /nfs/dbraw/zinc/65/22/42/1147652242.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317045504 1147652243 /nfs/dbraw/zinc/65/22/43/1147652243.db2.gz QXWGCWLTBLULRD-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317382705 1147700153 /nfs/dbraw/zinc/70/01/53/1147700153.db2.gz UJHPNIIVJABWAD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317382705 1147700155 /nfs/dbraw/zinc/70/01/55/1147700155.db2.gz UJHPNIIVJABWAD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317382705 1147700157 /nfs/dbraw/zinc/70/01/57/1147700157.db2.gz UJHPNIIVJABWAD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317673243 1147741876 /nfs/dbraw/zinc/74/18/76/1147741876.db2.gz BCKAJIUJYDKSPF-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001317686901 1147744025 /nfs/dbraw/zinc/74/40/25/1147744025.db2.gz SQUPBIRGUIJEKF-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001317686901 1147744027 /nfs/dbraw/zinc/74/40/27/1147744027.db2.gz SQUPBIRGUIJEKF-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001317686901 1147744029 /nfs/dbraw/zinc/74/40/29/1147744029.db2.gz SQUPBIRGUIJEKF-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317786476 1147752395 /nfs/dbraw/zinc/75/23/95/1147752395.db2.gz AQHKHSLEIUWAPN-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317786476 1147752397 /nfs/dbraw/zinc/75/23/97/1147752397.db2.gz AQHKHSLEIUWAPN-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317786476 1147752399 /nfs/dbraw/zinc/75/23/99/1147752399.db2.gz AQHKHSLEIUWAPN-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001325740154 1147993663 /nfs/dbraw/zinc/99/36/63/1147993663.db2.gz BFEIPOYMTPVZPQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001325740154 1147993665 /nfs/dbraw/zinc/99/36/65/1147993665.db2.gz BFEIPOYMTPVZPQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001325740154 1147993668 /nfs/dbraw/zinc/99/36/68/1147993668.db2.gz BFEIPOYMTPVZPQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001326555282 1148143615 /nfs/dbraw/zinc/14/36/15/1148143615.db2.gz PDFGUIPOPSAOLC-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NC2CC2)C1 ZINC000066243173 354705800 /nfs/dbraw/zinc/70/58/00/354705800.db2.gz RYZRQBVNQFGBEU-AWEZNQCLSA-N 2 1 300.450 2.485 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cccc(Cl)c1 ZINC000073780465 354982099 /nfs/dbraw/zinc/98/20/99/354982099.db2.gz GPGDJNIMUHTHGR-AWEZNQCLSA-N 2 1 308.857 2.299 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687375 355443988 /nfs/dbraw/zinc/44/39/88/355443988.db2.gz WDNMEJZHHHJJGL-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000592291252 357859857 /nfs/dbraw/zinc/85/98/57/357859857.db2.gz ZUGIWEBJSOJWHG-UHFFFAOYSA-N 2 1 311.433 2.397 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000598597676 359255227 /nfs/dbraw/zinc/25/52/27/359255227.db2.gz SURCOLRBPSJTRF-HYVNUMGLSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000598597676 359255229 /nfs/dbraw/zinc/25/52/29/359255229.db2.gz SURCOLRBPSJTRF-HYVNUMGLSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000598597676 359255231 /nfs/dbraw/zinc/25/52/31/359255231.db2.gz SURCOLRBPSJTRF-HYVNUMGLSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000598701923 359298042 /nfs/dbraw/zinc/29/80/42/359298042.db2.gz ZTMNYPCSTDQNBQ-GOSISDBHSA-N 2 1 315.461 2.325 20 30 DEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000598701923 359298046 /nfs/dbraw/zinc/29/80/46/359298046.db2.gz ZTMNYPCSTDQNBQ-GOSISDBHSA-N 2 1 315.461 2.325 20 30 DEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+](C)CCOC)cc1 ZINC000268840540 207006722 /nfs/dbraw/zinc/00/67/22/207006722.db2.gz UEGHSEFLYCYIEK-INIZCTEOSA-N 2 1 304.434 2.318 20 30 DEEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000121149781 195300164 /nfs/dbraw/zinc/30/01/64/195300164.db2.gz GEMASCRZEKYWOJ-ZDUSSCGKSA-N 2 1 307.463 2.144 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154180 402199789 /nfs/dbraw/zinc/19/97/89/402199789.db2.gz SCACJYIWPMXYIR-QGZVFWFLSA-N 2 1 316.449 2.313 20 30 DEEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC000104181744 402199796 /nfs/dbraw/zinc/19/97/96/402199796.db2.gz GVLPUNSTEHPSOR-GOSISDBHSA-N 2 1 314.477 2.352 20 30 DEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000191396603 402666075 /nfs/dbraw/zinc/66/60/75/402666075.db2.gz UOKOHTCIXWJRTB-UHFFFAOYSA-N 2 1 314.477 2.406 20 30 DEEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000348300492 404058484 /nfs/dbraw/zinc/05/84/84/404058484.db2.gz BDQGMVZSVLGLJM-CVEARBPZSA-N 2 1 320.481 2.039 20 30 DEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348323802 404060224 /nfs/dbraw/zinc/06/02/24/404060224.db2.gz SPLLCICPCZLJBN-SJORKVTESA-N 2 1 322.497 2.239 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000328229369 404105403 /nfs/dbraw/zinc/10/54/03/404105403.db2.gz CKSHFOWEBWNMKX-JKSUJKDBSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000328229369 404105412 /nfs/dbraw/zinc/10/54/12/404105412.db2.gz CKSHFOWEBWNMKX-JKSUJKDBSA-N 2 1 323.481 2.225 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777522 404732125 /nfs/dbraw/zinc/73/21/25/404732125.db2.gz FUUZAVSEJFAXJF-KRWDZBQOSA-N 2 1 316.445 2.439 20 30 DEEDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367102 405780756 /nfs/dbraw/zinc/78/07/56/405780756.db2.gz CXQWLDDJYHVGPU-DNVCBOLYSA-N 2 1 312.461 2.253 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000573084187 406769230 /nfs/dbraw/zinc/76/92/30/406769230.db2.gz NNLITPMYYREKQR-GOSISDBHSA-N 2 1 318.461 2.283 20 30 DEEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452264 407183085 /nfs/dbraw/zinc/18/30/85/407183085.db2.gz RFNULOBBSPJOIL-ZWKOTPCHSA-N 2 1 309.498 2.117 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000645264950 407255469 /nfs/dbraw/zinc/25/54/69/407255469.db2.gz QDRXSLLKIGGUTP-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657872344 425412615 /nfs/dbraw/zinc/41/26/15/425412615.db2.gz NCNNFCMIQCMJKQ-IXDOHACOSA-N 2 1 307.482 2.298 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655765139 425648070 /nfs/dbraw/zinc/64/80/70/425648070.db2.gz ZLYVSRJVMFSXNC-JQHSSLGASA-N 2 1 308.466 2.201 20 30 DEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377715188 278306083 /nfs/dbraw/zinc/30/60/83/278306083.db2.gz BJJZZRLFCTXNRD-APWZRJJASA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377715188 278306084 /nfs/dbraw/zinc/30/60/84/278306084.db2.gz BJJZZRLFCTXNRD-APWZRJJASA-N 2 1 312.461 2.331 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001088939205 782062096 /nfs/dbraw/zinc/06/20/96/782062096.db2.gz DBAMFDFOJMLARJ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP CN1CC[NH+]=C1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261548121 341302798 /nfs/dbraw/zinc/30/27/98/341302798.db2.gz NAVFWUFWSPENJZ-KRWDZBQOSA-N 2 1 300.450 2.180 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)N1 ZINC000261556220 341360434 /nfs/dbraw/zinc/36/04/34/341360434.db2.gz VSRMQJHQOZAURP-NVXWUHKLSA-N 2 1 300.450 2.226 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001397793056 1160511916 /nfs/dbraw/zinc/51/19/16/1160511916.db2.gz VBSQRLJNPFJCTK-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001329935532 1149018809 /nfs/dbraw/zinc/01/88/09/1149018809.db2.gz DLSXYOUOGAZHEU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329935532 1149018815 /nfs/dbraw/zinc/01/88/15/1149018815.db2.gz DLSXYOUOGAZHEU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001399375183 1161368501 /nfs/dbraw/zinc/36/85/01/1161368501.db2.gz KODNRLUGHYSRGM-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001330210461 1149071300 /nfs/dbraw/zinc/07/13/00/1149071300.db2.gz POPDXHXRNCLUJH-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP CC(C)Oc1ccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000262472775 528174761 /nfs/dbraw/zinc/17/47/61/528174761.db2.gz OLIVPFIQEGNFFH-CQSZACIVSA-N 2 1 313.405 2.412 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264078804 528249347 /nfs/dbraw/zinc/24/93/47/528249347.db2.gz GPRMUNFHYZPCML-ZDUSSCGKSA-N 2 1 320.437 2.162 20 30 DEEDMP CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1F ZINC000267458870 528413293 /nfs/dbraw/zinc/41/32/93/528413293.db2.gz UITJKJPLCAFJPI-AWEZNQCLSA-N 2 1 322.428 2.113 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261899601 529100210 /nfs/dbraw/zinc/10/02/10/529100210.db2.gz WJQPGYYNJKUZII-OLZOCXBDSA-N 2 1 302.413 2.201 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109266 529101086 /nfs/dbraw/zinc/10/10/86/529101086.db2.gz QFVPNOPMPWXZIC-AWEZNQCLSA-N 2 1 324.856 2.237 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008042047 625313673 /nfs/dbraw/zinc/31/36/73/625313673.db2.gz ALQZIZULEBGXRW-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470507 625465596 /nfs/dbraw/zinc/46/55/96/625465596.db2.gz YKINQCMEEIICOZ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969832836 622942361 /nfs/dbraw/zinc/94/23/61/622942361.db2.gz JWDUBRBUHLMMRX-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596979 625620775 /nfs/dbraw/zinc/62/07/75/625620775.db2.gz KQQHXRYMJBTCGV-LSDHHAIUSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596979 625620777 /nfs/dbraw/zinc/62/07/77/625620777.db2.gz KQQHXRYMJBTCGV-LSDHHAIUSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735424 624018379 /nfs/dbraw/zinc/01/83/79/624018379.db2.gz FDLDOTFXVVNMIA-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735424 624018384 /nfs/dbraw/zinc/01/83/84/624018384.db2.gz FDLDOTFXVVNMIA-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474026 624643102 /nfs/dbraw/zinc/64/31/02/624643102.db2.gz PNAUATNSIWBNFU-HIFRSBDPSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340380 624935106 /nfs/dbraw/zinc/93/51/06/624935106.db2.gz RWROXHGIVYSATI-SFHVURJKSA-N 2 1 315.461 2.123 20 30 DEEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751027 625034374 /nfs/dbraw/zinc/03/43/74/625034374.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751027 625034385 /nfs/dbraw/zinc/03/43/85/625034385.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751027 625034395 /nfs/dbraw/zinc/03/43/95/625034395.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751027 625034406 /nfs/dbraw/zinc/03/44/06/625034406.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751027 625034416 /nfs/dbraw/zinc/03/44/16/625034416.db2.gz AYVFVSNVHCRSBC-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761901 625043152 /nfs/dbraw/zinc/04/31/52/625043152.db2.gz LDLANFITBZWPOT-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024761901 625043161 /nfs/dbraw/zinc/04/31/61/625043161.db2.gz LDLANFITBZWPOT-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000972479154 625113793 /nfs/dbraw/zinc/11/37/93/625113793.db2.gz RYAMQONVJSVFMG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479153 625113853 /nfs/dbraw/zinc/11/38/53/625113853.db2.gz RYAMQONVJSVFMG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023453581 625274818 /nfs/dbraw/zinc/27/48/18/625274818.db2.gz BXYRLIUXFCLIKM-INIZCTEOSA-N 2 1 324.428 2.108 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436424 625763000 /nfs/dbraw/zinc/76/30/00/625763000.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436424 625763005 /nfs/dbraw/zinc/76/30/05/625763005.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436424 625763011 /nfs/dbraw/zinc/76/30/11/625763011.db2.gz CVUBSWDMPQRPKY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999198310 634513852 /nfs/dbraw/zinc/51/38/52/634513852.db2.gz BJRQLHLMVIPCEC-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999373495 634569498 /nfs/dbraw/zinc/56/94/98/634569498.db2.gz QJCJHHOVDPCBHA-KGLIPLIRSA-N 2 1 322.840 2.094 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974746728 633279163 /nfs/dbraw/zinc/27/91/63/633279163.db2.gz PTZBOKKCARBBHH-KRWDZBQOSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975058 633382206 /nfs/dbraw/zinc/38/22/06/633382206.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975058 633382207 /nfs/dbraw/zinc/38/22/07/633382207.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975058 633382208 /nfs/dbraw/zinc/38/22/08/633382208.db2.gz SCGQSSLNTPDWJP-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027461768 633829396 /nfs/dbraw/zinc/82/93/96/633829396.db2.gz PBAYONPTURQYFK-MRXNPFEDSA-N 2 1 318.465 2.426 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001027466664 633836445 /nfs/dbraw/zinc/83/64/45/633836445.db2.gz XGMFTKOMUPMANH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466664 633836453 /nfs/dbraw/zinc/83/64/53/633836453.db2.gz XGMFTKOMUPMANH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001027466664 633836462 /nfs/dbraw/zinc/83/64/62/633836462.db2.gz XGMFTKOMUPMANH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001027466664 633836469 /nfs/dbraw/zinc/83/64/69/633836469.db2.gz XGMFTKOMUPMANH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456806 633994419 /nfs/dbraw/zinc/99/44/19/633994419.db2.gz VOJXJXZCRFWJQL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456806 633994421 /nfs/dbraw/zinc/99/44/21/633994421.db2.gz VOJXJXZCRFWJQL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456806 633994425 /nfs/dbraw/zinc/99/44/25/633994425.db2.gz VOJXJXZCRFWJQL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997874088 634016393 /nfs/dbraw/zinc/01/63/93/634016393.db2.gz KBNCQIASZFLUCZ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939285 634039427 /nfs/dbraw/zinc/03/94/27/634039427.db2.gz GOXZSBBTPSFUNX-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939285 634039431 /nfs/dbraw/zinc/03/94/31/634039431.db2.gz GOXZSBBTPSFUNX-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006288 634107169 /nfs/dbraw/zinc/10/71/69/634107169.db2.gz KLEUKFLOEUOJAE-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980523174 635034312 /nfs/dbraw/zinc/03/43/12/635034312.db2.gz DVNGIFQBIVJMEE-OAHLLOKOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000374649 635162760 /nfs/dbraw/zinc/16/27/60/635162760.db2.gz WEKWFGJAIYVKNE-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683503 635275923 /nfs/dbraw/zinc/27/59/23/635275923.db2.gz ULDZXKVVEWKSSA-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683503 635275928 /nfs/dbraw/zinc/27/59/28/635275928.db2.gz ULDZXKVVEWKSSA-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000683503 635275935 /nfs/dbraw/zinc/27/59/35/635275935.db2.gz ULDZXKVVEWKSSA-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001229146 635431027 /nfs/dbraw/zinc/43/10/27/635431027.db2.gz HHYSJJUNWCASOZ-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001229146 635431031 /nfs/dbraw/zinc/43/10/31/635431031.db2.gz HHYSJJUNWCASOZ-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001229146 635431036 /nfs/dbraw/zinc/43/10/36/635431036.db2.gz HHYSJJUNWCASOZ-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981688463 635589336 /nfs/dbraw/zinc/58/93/36/635589336.db2.gz ZWVVSRCZKGXGJZ-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778379 635642336 /nfs/dbraw/zinc/64/23/36/635642336.db2.gz JSCHOCJFLZWVSI-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778379 635642341 /nfs/dbraw/zinc/64/23/41/635642341.db2.gz JSCHOCJFLZWVSI-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778379 635642343 /nfs/dbraw/zinc/64/23/43/635642343.db2.gz JSCHOCJFLZWVSI-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002809511 635802045 /nfs/dbraw/zinc/80/20/45/635802045.db2.gz HFQLATMOUWSWQS-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052381 635846031 /nfs/dbraw/zinc/84/60/31/635846031.db2.gz HUQDMZIEIHYADT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982226872 635914388 /nfs/dbraw/zinc/91/43/88/635914388.db2.gz BJCKUFYOJQKRFN-UHFFFAOYSA-N 2 1 301.434 2.082 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251703 635960327 /nfs/dbraw/zinc/96/03/27/635960327.db2.gz JWIPVOAXDCOXAT-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774858 636135290 /nfs/dbraw/zinc/13/52/90/636135290.db2.gz HVTZOXKRFAQROU-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579798 636373017 /nfs/dbraw/zinc/37/30/17/636373017.db2.gz JDLCHSVBTHLMPC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579798 636373023 /nfs/dbraw/zinc/37/30/23/636373023.db2.gz JDLCHSVBTHLMPC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579798 636373026 /nfs/dbraw/zinc/37/30/26/636373026.db2.gz JDLCHSVBTHLMPC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579798 636373039 /nfs/dbraw/zinc/37/30/39/636373039.db2.gz JDLCHSVBTHLMPC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004458815 636459753 /nfs/dbraw/zinc/45/97/53/636459753.db2.gz QWKSIFYPNHJZAM-QZTJIDSGSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004546101 636483607 /nfs/dbraw/zinc/48/36/07/636483607.db2.gz GONWTPYIQBQSEH-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546101 636483610 /nfs/dbraw/zinc/48/36/10/636483610.db2.gz GONWTPYIQBQSEH-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546101 636483612 /nfs/dbraw/zinc/48/36/12/636483612.db2.gz GONWTPYIQBQSEH-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006295996 637333594 /nfs/dbraw/zinc/33/35/94/637333594.db2.gz XBRIUBPSAHGHOS-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006295996 637333600 /nfs/dbraw/zinc/33/36/00/637333600.db2.gz XBRIUBPSAHGHOS-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP CN(C)C(=[NH+]CC(C)(C)[N@H+]1CCc2ccccc2C1)N(C)C ZINC000261969060 640659225 /nfs/dbraw/zinc/65/92/25/640659225.db2.gz CIGVNCJBZXMVPJ-UHFFFAOYSA-N 2 1 302.466 2.303 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000990026095 641323992 /nfs/dbraw/zinc/32/39/92/641323992.db2.gz MBPDEMZNBDMTBW-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000990026095 641323993 /nfs/dbraw/zinc/32/39/93/641323993.db2.gz MBPDEMZNBDMTBW-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026095 641323994 /nfs/dbraw/zinc/32/39/94/641323994.db2.gz MBPDEMZNBDMTBW-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000990026095 641323995 /nfs/dbraw/zinc/32/39/95/641323995.db2.gz MBPDEMZNBDMTBW-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785838 642070341 /nfs/dbraw/zinc/07/03/41/642070341.db2.gz AAGRTIVDIBDWMI-MTNOOBJLSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785838 642070343 /nfs/dbraw/zinc/07/03/43/642070343.db2.gz AAGRTIVDIBDWMI-MTNOOBJLSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990785838 642070344 /nfs/dbraw/zinc/07/03/44/642070344.db2.gz AAGRTIVDIBDWMI-MTNOOBJLSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000899972544 642224323 /nfs/dbraw/zinc/22/43/23/642224323.db2.gz NRSRLLBBAJAAQU-UHFFFAOYSA-N 2 1 315.461 2.147 20 30 DEEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CCC1 ZINC000903759995 643451954 /nfs/dbraw/zinc/45/19/54/643451954.db2.gz DNCDAXJINUEABW-INIZCTEOSA-N 2 1 316.453 2.238 20 30 DEEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCCC(F)(F)F)cc2)CC1 ZINC000794546799 644434312 /nfs/dbraw/zinc/43/43/12/644434312.db2.gz CEUNYEOAMJBJOC-UHFFFAOYSA-N 2 1 314.355 2.314 20 30 DEEDMP C[C@@H]1CNC(NN=C2CCC([N@@H+](C)Cc3ccccc3)CC2)=[NH+]1 ZINC000797786112 644923612 /nfs/dbraw/zinc/92/36/12/644923612.db2.gz HLEUYTZPXXEZGN-XPCCGILXSA-N 2 1 313.449 2.354 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC[C@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912506785 646090367 /nfs/dbraw/zinc/09/03/67/646090367.db2.gz BWOAZUOWZRUCII-HZPDHXFCSA-N 2 1 324.513 2.229 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(NC[C@H]2CCCO2)=[NH+]C(C)(C)C)C1 ZINC000912509174 646091297 /nfs/dbraw/zinc/09/12/97/646091297.db2.gz VTQFSXQWSBLWEY-HZPDHXFCSA-N 2 1 324.513 2.231 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151416241 646376141 /nfs/dbraw/zinc/37/61/41/646376141.db2.gz GXOLQAINDSYBNJ-QGZVFWFLSA-N 2 1 314.477 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136589 646867630 /nfs/dbraw/zinc/86/76/30/646867630.db2.gz KNWUSUUZGMDAEX-CUSZFKRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136589 646867632 /nfs/dbraw/zinc/86/76/32/646867632.db2.gz KNWUSUUZGMDAEX-CUSZFKRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136589 646867636 /nfs/dbraw/zinc/86/76/36/646867636.db2.gz KNWUSUUZGMDAEX-CUSZFKRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136593 646867891 /nfs/dbraw/zinc/86/78/91/646867891.db2.gz KNWUSUUZGMDAEX-NBOOPKSLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136593 646867892 /nfs/dbraw/zinc/86/78/92/646867892.db2.gz KNWUSUUZGMDAEX-NBOOPKSLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136593 646867893 /nfs/dbraw/zinc/86/78/93/646867893.db2.gz KNWUSUUZGMDAEX-NBOOPKSLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145250 646871367 /nfs/dbraw/zinc/87/13/67/646871367.db2.gz PRRIQBWLCPGVQU-WMZOPIPTSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000820847086 647930742 /nfs/dbraw/zinc/93/07/42/647930742.db2.gz QONJGJACVIYCQY-UHFFFAOYSA-N 2 1 312.417 2.130 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000820847086 647930745 /nfs/dbraw/zinc/93/07/45/647930745.db2.gz QONJGJACVIYCQY-UHFFFAOYSA-N 2 1 312.417 2.130 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244725 648836094 /nfs/dbraw/zinc/83/60/94/648836094.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948244725 648836096 /nfs/dbraw/zinc/83/60/96/648836096.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948244725 648836099 /nfs/dbraw/zinc/83/60/99/648836099.db2.gz IYSIAIMGCJTLDE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940738043 648935677 /nfs/dbraw/zinc/93/56/77/648935677.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738043 648935679 /nfs/dbraw/zinc/93/56/79/648935679.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738043 648935680 /nfs/dbraw/zinc/93/56/80/648935680.db2.gz VFTCBVLAHYKXER-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913704 648967388 /nfs/dbraw/zinc/96/73/88/648967388.db2.gz GBULGPUIYYMBGQ-IAGOWNOFSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224330 649025564 /nfs/dbraw/zinc/02/55/64/649025564.db2.gz UKMBHHYBUYJLMC-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224330 649025565 /nfs/dbraw/zinc/02/55/65/649025565.db2.gz UKMBHHYBUYJLMC-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942054569 649145771 /nfs/dbraw/zinc/14/57/71/649145771.db2.gz XLVZUMUUJQXHJT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943288942 649359343 /nfs/dbraw/zinc/35/93/43/649359343.db2.gz NYRXTCNXVSSUDD-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943514985 649386976 /nfs/dbraw/zinc/38/69/76/649386976.db2.gz DRZNZZNOMFUXSI-QAPCUYQASA-N 2 1 315.461 2.374 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000846370582 651327312 /nfs/dbraw/zinc/32/73/12/651327312.db2.gz UOEOTHMMOCQTAZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000846370582 651327313 /nfs/dbraw/zinc/32/73/13/651327313.db2.gz UOEOTHMMOCQTAZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CCCCC1 ZINC000846370582 651327315 /nfs/dbraw/zinc/32/73/15/651327315.db2.gz UOEOTHMMOCQTAZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CCCCC1 ZINC000846370582 651327317 /nfs/dbraw/zinc/32/73/17/651327317.db2.gz UOEOTHMMOCQTAZ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#C[C@](C)(CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854704377 651541198 /nfs/dbraw/zinc/54/11/98/651541198.db2.gz RCDWGYAZCYSRDE-LJQANCHMSA-N 2 1 319.493 2.101 20 30 DEEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000849041100 651592302 /nfs/dbraw/zinc/59/23/02/651592302.db2.gz KFDHNBLNLPJFBK-QGZVFWFLSA-N 2 1 302.466 2.426 20 30 DEEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868413 652473059 /nfs/dbraw/zinc/47/30/59/652473059.db2.gz SBKBSUJFCDBKFJ-MRXNPFEDSA-N 2 1 319.493 2.006 20 30 DEEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304743649 685258847 /nfs/dbraw/zinc/25/88/47/685258847.db2.gz DGEIXLPZECPJDH-OAHLLOKOSA-N 2 1 304.438 2.146 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741450 685259116 /nfs/dbraw/zinc/25/91/16/685259116.db2.gz CDNCQWQFILJVOU-MRXNPFEDSA-N 2 1 318.440 2.246 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000304792564 685262203 /nfs/dbraw/zinc/26/22/03/685262203.db2.gz LCKWDTWOJWNUNG-HZPDHXFCSA-N 2 1 318.465 2.151 20 30 DEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303878303 685236237 /nfs/dbraw/zinc/23/62/37/685236237.db2.gz FXOULFSJMGIGGW-GASCZTMLSA-N 2 1 312.527 2.108 20 30 DEEDMP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303886656 685237509 /nfs/dbraw/zinc/23/75/09/685237509.db2.gz KLRMILWJWJJCIF-CYBMUJFWSA-N 2 1 320.437 2.162 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(Cl)c1 ZINC000303891931 685239274 /nfs/dbraw/zinc/23/92/74/685239274.db2.gz RAWNOPLQZHDZBK-AWEZNQCLSA-N 2 1 324.856 2.107 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016982865 687749221 /nfs/dbraw/zinc/74/92/21/687749221.db2.gz MQZFBOCCOJGWIV-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930346619 694142715 /nfs/dbraw/zinc/14/27/15/694142715.db2.gz IEWPUJIHUBCZFW-SJORKVTESA-N 2 1 301.434 2.151 20 30 DEEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930346619 694142716 /nfs/dbraw/zinc/14/27/16/694142716.db2.gz IEWPUJIHUBCZFW-SJORKVTESA-N 2 1 301.434 2.151 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031229 688033494 /nfs/dbraw/zinc/03/34/94/688033494.db2.gz AMJNTHWQYAFDAT-HDICACEKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872155968 688940586 /nfs/dbraw/zinc/94/05/86/688940586.db2.gz BPKKXIQWZKDNHG-ZMSDIMECSA-N 2 1 307.482 2.297 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273331 689447469 /nfs/dbraw/zinc/44/74/69/689447469.db2.gz UANXXPKIOLDEJL-KRWDZBQOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684356 689583403 /nfs/dbraw/zinc/58/34/03/689583403.db2.gz NMWAIVQETNHUNA-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856385 689640484 /nfs/dbraw/zinc/64/04/84/689640484.db2.gz SBNRXJLIQKQIMX-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856385 689640486 /nfs/dbraw/zinc/64/04/86/689640486.db2.gz SBNRXJLIQKQIMX-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932917 689666656 /nfs/dbraw/zinc/66/66/56/689666656.db2.gz UMJXRGAPKGFYCY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932917 689666658 /nfs/dbraw/zinc/66/66/58/689666658.db2.gz UMJXRGAPKGFYCY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932917 689666660 /nfs/dbraw/zinc/66/66/60/689666660.db2.gz UMJXRGAPKGFYCY-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937990 689668379 /nfs/dbraw/zinc/66/83/79/689668379.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033937990 689668382 /nfs/dbraw/zinc/66/83/82/689668382.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033937990 689668385 /nfs/dbraw/zinc/66/83/85/689668385.db2.gz RJPHTXZSEWQQBT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250498 689781395 /nfs/dbraw/zinc/78/13/95/689781395.db2.gz RBRZNELTYIFMBP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250498 689781398 /nfs/dbraw/zinc/78/13/98/689781398.db2.gz RBRZNELTYIFMBP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250498 689781402 /nfs/dbraw/zinc/78/14/02/689781402.db2.gz RBRZNELTYIFMBP-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328818 689810712 /nfs/dbraw/zinc/81/07/12/689810712.db2.gz DUPYUSFSELJMQU-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436715 689850224 /nfs/dbraw/zinc/85/02/24/689850224.db2.gz BETULQFOZQIIIK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000876933335 689976376 /nfs/dbraw/zinc/97/63/76/689976376.db2.gz MJFZOUQFXNFABE-SFHVURJKSA-N 2 1 320.396 2.151 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035226705 690065393 /nfs/dbraw/zinc/06/53/93/690065393.db2.gz KOQUOWLBCKCLTL-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226705 690065396 /nfs/dbraw/zinc/06/53/96/690065396.db2.gz KOQUOWLBCKCLTL-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226705 690065399 /nfs/dbraw/zinc/06/53/99/690065399.db2.gz KOQUOWLBCKCLTL-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710645 690158018 /nfs/dbraw/zinc/15/80/18/690158018.db2.gz OJHSEMJKBVSVCO-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710503 690158025 /nfs/dbraw/zinc/15/80/25/690158025.db2.gz MFGXLYBLMMBUBM-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035724854 690161662 /nfs/dbraw/zinc/16/16/62/690161662.db2.gz AXTUECMXRCQYIO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[C@H]1[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCCC1(C)C ZINC000878515818 690429474 /nfs/dbraw/zinc/42/94/74/690429474.db2.gz IOCKLKRWESPXNA-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762299 690463558 /nfs/dbraw/zinc/46/35/58/690463558.db2.gz IDPRIXVVOLNQSK-DOTOQJQBSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773547 690469808 /nfs/dbraw/zinc/46/98/08/690469808.db2.gz PHSFXJWLODCWDS-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810152 690481365 /nfs/dbraw/zinc/48/13/65/690481365.db2.gz WPVTVSPMVBWZNO-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)CC1CC[NH+](C)CC1 ZINC000879702982 690709974 /nfs/dbraw/zinc/70/99/74/690709974.db2.gz AVQMLJMZSZTDLK-UHFFFAOYSA-N 2 1 322.497 2.048 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038779835 690924654 /nfs/dbraw/zinc/92/46/54/690924654.db2.gz KQJWRAIXBLWIOC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038779835 690924658 /nfs/dbraw/zinc/92/46/58/690924658.db2.gz KQJWRAIXBLWIOC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038779835 690924661 /nfs/dbraw/zinc/92/46/61/690924661.db2.gz KQJWRAIXBLWIOC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173384 691038973 /nfs/dbraw/zinc/03/89/73/691038973.db2.gz VMNQKKFGHABXCQ-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241504 691065897 /nfs/dbraw/zinc/06/58/97/691065897.db2.gz BSSIHMYJYZQIGE-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241504 691065899 /nfs/dbraw/zinc/06/58/99/691065899.db2.gz BSSIHMYJYZQIGE-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039298432 691076688 /nfs/dbraw/zinc/07/66/88/691076688.db2.gz WOSOGQNGFKSVNG-XYTVBORESA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039307766 691078372 /nfs/dbraw/zinc/07/83/72/691078372.db2.gz YBZIJIWQQYKDJX-XYTVBORESA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039311464 691078710 /nfs/dbraw/zinc/07/87/10/691078710.db2.gz GCESQCFYYMYNRZ-ALOPSCKCSA-N 2 1 316.449 2.269 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406465 691100437 /nfs/dbraw/zinc/10/04/37/691100437.db2.gz VCQLGTJOCXDPTP-AEFFLSMTSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424192 691103446 /nfs/dbraw/zinc/10/34/46/691103446.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424192 691103448 /nfs/dbraw/zinc/10/34/48/691103448.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424192 691103450 /nfs/dbraw/zinc/10/34/50/691103450.db2.gz FOFXDXKGUCDGHJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428651 691104161 /nfs/dbraw/zinc/10/41/61/691104161.db2.gz XWJQSJHRIRNWHC-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201689 691212927 /nfs/dbraw/zinc/21/29/27/691212927.db2.gz NGLFISZTVDZIBQ-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201689 691212930 /nfs/dbraw/zinc/21/29/30/691212930.db2.gz NGLFISZTVDZIBQ-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201689 691212932 /nfs/dbraw/zinc/21/29/32/691212932.db2.gz NGLFISZTVDZIBQ-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230806 691216606 /nfs/dbraw/zinc/21/66/06/691216606.db2.gz GBFYTXKXSUMWCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230806 691216609 /nfs/dbraw/zinc/21/66/09/691216609.db2.gz GBFYTXKXSUMWCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230806 691216612 /nfs/dbraw/zinc/21/66/12/691216612.db2.gz GBFYTXKXSUMWCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241714 691219228 /nfs/dbraw/zinc/21/92/28/691219228.db2.gz RPLFHQKQFFKDFN-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282643 691225585 /nfs/dbraw/zinc/22/55/85/691225585.db2.gz XTVPSPGCUCFOFK-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040493266 691256072 /nfs/dbraw/zinc/25/60/72/691256072.db2.gz JFISKPRXGXGSCG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040493266 691256074 /nfs/dbraw/zinc/25/60/74/691256074.db2.gz JFISKPRXGXGSCG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040493266 691256077 /nfs/dbraw/zinc/25/60/77/691256077.db2.gz JFISKPRXGXGSCG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041356860 691366650 /nfs/dbraw/zinc/36/66/50/691366650.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356860 691366652 /nfs/dbraw/zinc/36/66/52/691366652.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356860 691366654 /nfs/dbraw/zinc/36/66/54/691366654.db2.gz CJWCFOMVKMEZBU-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041692809 691410775 /nfs/dbraw/zinc/41/07/75/691410775.db2.gz OFHOHJKSVQOSKG-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042134274 691517075 /nfs/dbraw/zinc/51/70/75/691517075.db2.gz OEMTXMKCNQHYBA-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132744 691517627 /nfs/dbraw/zinc/51/76/27/691517627.db2.gz HUYGMEIJHJKDTJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042154870 691524663 /nfs/dbraw/zinc/52/46/63/691524663.db2.gz AVWVFNBWUKCGCC-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216151 691538024 /nfs/dbraw/zinc/53/80/24/691538024.db2.gz MKXDCZLDRTWVRK-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234953 691542959 /nfs/dbraw/zinc/54/29/59/691542959.db2.gz PVBZUDKORXIUEC-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234953 691542962 /nfs/dbraw/zinc/54/29/62/691542962.db2.gz PVBZUDKORXIUEC-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234953 691542965 /nfs/dbraw/zinc/54/29/65/691542965.db2.gz PVBZUDKORXIUEC-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256775 691550456 /nfs/dbraw/zinc/55/04/56/691550456.db2.gz ZMMNDJOWDOVDDP-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438921 691981144 /nfs/dbraw/zinc/98/11/44/691981144.db2.gz WZZMULRJCXIRHC-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921418 692051471 /nfs/dbraw/zinc/05/14/71/692051471.db2.gz LEKRBPCOIFEONM-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921418 692051475 /nfs/dbraw/zinc/05/14/75/692051475.db2.gz LEKRBPCOIFEONM-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921418 692051479 /nfs/dbraw/zinc/05/14/79/692051479.db2.gz LEKRBPCOIFEONM-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369132 692168302 /nfs/dbraw/zinc/16/83/02/692168302.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369132 692168303 /nfs/dbraw/zinc/16/83/03/692168303.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369132 692168304 /nfs/dbraw/zinc/16/83/04/692168304.db2.gz POROFRDAGIQUHM-FUHWJXTLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739596 692280268 /nfs/dbraw/zinc/28/02/68/692280268.db2.gz QKMHCMJYOWNNPV-GOSISDBHSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761654 692290159 /nfs/dbraw/zinc/29/01/59/692290159.db2.gz ZFPADZXHXQSUNE-LJQANCHMSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172462 692779447 /nfs/dbraw/zinc/77/94/47/692779447.db2.gz WWIQKTJILDNDTL-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232366 692795783 /nfs/dbraw/zinc/79/57/83/692795783.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232366 692795785 /nfs/dbraw/zinc/79/57/85/692795785.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232366 692795787 /nfs/dbraw/zinc/79/57/87/692795787.db2.gz UEQUERMTDORLHC-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464585 692890182 /nfs/dbraw/zinc/89/01/82/692890182.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464585 692890185 /nfs/dbraw/zinc/89/01/85/692890185.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464585 692890188 /nfs/dbraw/zinc/89/01/88/692890188.db2.gz NWGROOJXYNQLTB-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572764 692926456 /nfs/dbraw/zinc/92/64/56/692926456.db2.gz OFDZTRLFHHZDDU-ZWKOTPCHSA-N 2 1 322.412 2.037 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572575 692926545 /nfs/dbraw/zinc/92/65/45/692926545.db2.gz MFWGUEQOENTORA-ROUUACIJSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593723 692934869 /nfs/dbraw/zinc/93/48/69/692934869.db2.gz GYHVZOJDJICJHZ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593723 692934871 /nfs/dbraw/zinc/93/48/71/692934871.db2.gz GYHVZOJDJICJHZ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693871 692966931 /nfs/dbraw/zinc/96/69/31/692966931.db2.gz PLDFEVMMCDXMEE-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846078 693019784 /nfs/dbraw/zinc/01/97/84/693019784.db2.gz FRSSGCMYYHCZAK-IRXDYDNUSA-N 2 1 314.433 2.013 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846078 693019789 /nfs/dbraw/zinc/01/97/89/693019789.db2.gz FRSSGCMYYHCZAK-IRXDYDNUSA-N 2 1 314.433 2.013 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139755 693118838 /nfs/dbraw/zinc/11/88/38/693118838.db2.gz GCROMPRKNSPWJP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139755 693118842 /nfs/dbraw/zinc/11/88/42/693118842.db2.gz GCROMPRKNSPWJP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139755 693118845 /nfs/dbraw/zinc/11/88/45/693118845.db2.gz GCROMPRKNSPWJP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663396 693227604 /nfs/dbraw/zinc/22/76/04/693227604.db2.gz SRTBKDZLOFMDGH-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427166 693531823 /nfs/dbraw/zinc/53/18/23/693531823.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427166 693531824 /nfs/dbraw/zinc/53/18/24/693531824.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052427166 693531825 /nfs/dbraw/zinc/53/18/25/693531825.db2.gz WNBXSBUUIDAXRR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052499341 693550709 /nfs/dbraw/zinc/55/07/09/693550709.db2.gz UBABXUXEUZVPGE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499341 693550712 /nfs/dbraw/zinc/55/07/12/693550712.db2.gz UBABXUXEUZVPGE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499341 693550717 /nfs/dbraw/zinc/55/07/17/693550717.db2.gz UBABXUXEUZVPGE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)CC2)CC1 ZINC001052954315 693655792 /nfs/dbraw/zinc/65/57/92/693655792.db2.gz MUEWSBXSKIZAIC-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCC1 ZINC001380859544 1152867484 /nfs/dbraw/zinc/86/74/84/1152867484.db2.gz PRGKSBAHUJKRCF-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001371691267 1155928125 /nfs/dbraw/zinc/92/81/25/1155928125.db2.gz OVBVZYZSSQVAQN-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001371691267 1155928131 /nfs/dbraw/zinc/92/81/31/1155928131.db2.gz OVBVZYZSSQVAQN-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001371691267 1155928146 /nfs/dbraw/zinc/92/81/46/1155928146.db2.gz OVBVZYZSSQVAQN-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001371691267 1155928150 /nfs/dbraw/zinc/92/81/50/1155928150.db2.gz OVBVZYZSSQVAQN-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001374394215 1157837588 /nfs/dbraw/zinc/83/75/88/1157837588.db2.gz GVUJSKYKIDXYTJ-WFASDCNBSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001397793056 1160511901 /nfs/dbraw/zinc/51/19/01/1160511901.db2.gz VBSQRLJNPFJCTK-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001400075941 1161647624 /nfs/dbraw/zinc/64/76/24/1161647624.db2.gz BEYWWLUNMRTHTP-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001406176812 1164493717 /nfs/dbraw/zinc/49/37/17/1164493717.db2.gz FNMSPAAVPRNGCW-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001406176812 1164493722 /nfs/dbraw/zinc/49/37/22/1164493722.db2.gz FNMSPAAVPRNGCW-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001406176812 1164493725 /nfs/dbraw/zinc/49/37/25/1164493725.db2.gz FNMSPAAVPRNGCW-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001419236742 1168335366 /nfs/dbraw/zinc/33/53/66/1168335366.db2.gz BUXFDMBOXKANJO-CYBMUJFWSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419810725 1168856073 /nfs/dbraw/zinc/85/60/73/1168856073.db2.gz ZLZXPSPSIGGNMI-GJZGRUSLSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001421432303 1171794535 /nfs/dbraw/zinc/79/45/35/1171794535.db2.gz NRDPCMSEZMCSIG-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001422061076 1172264898 /nfs/dbraw/zinc/26/48/98/1172264898.db2.gz PKVJYXBMSDYWMA-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP CC[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC001434529223 1178784531 /nfs/dbraw/zinc/78/45/31/1178784531.db2.gz UQIFOYIPOFNBIO-KRWDZBQOSA-N 2 1 314.433 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001439766097 1181227006 /nfs/dbraw/zinc/22/70/06/1181227006.db2.gz UHTXKUYGODVMMG-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001440877283 1181740007 /nfs/dbraw/zinc/74/00/07/1181740007.db2.gz OGJZIXWCIHEDSD-CHWSQXEVSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001442220542 1182375153 /nfs/dbraw/zinc/37/51/53/1182375153.db2.gz OTKRUXLCEIMFBI-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001442220542 1182375156 /nfs/dbraw/zinc/37/51/56/1182375156.db2.gz OTKRUXLCEIMFBI-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001442220542 1182375158 /nfs/dbraw/zinc/37/51/58/1182375158.db2.gz OTKRUXLCEIMFBI-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001442220542 1182375164 /nfs/dbraw/zinc/37/51/64/1182375164.db2.gz OTKRUXLCEIMFBI-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001442929510 1182802099 /nfs/dbraw/zinc/80/20/99/1182802099.db2.gz DINWDCKSVXAZKN-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001442929510 1182802100 /nfs/dbraw/zinc/80/21/00/1182802100.db2.gz DINWDCKSVXAZKN-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001442929510 1182802103 /nfs/dbraw/zinc/80/21/03/1182802103.db2.gz DINWDCKSVXAZKN-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001442929510 1182802105 /nfs/dbraw/zinc/80/21/05/1182802105.db2.gz DINWDCKSVXAZKN-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121245416 782275230 /nfs/dbraw/zinc/27/52/30/782275230.db2.gz FQFHTFGBPYLQJC-UHFFFAOYSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332217563 1149836068 /nfs/dbraw/zinc/83/60/68/1149836068.db2.gz IHRRNEIQDYLNKI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257139 782385578 /nfs/dbraw/zinc/38/55/78/782385578.db2.gz VGAFUOOZANDJQI-IRXDYDNUSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248246 782568412 /nfs/dbraw/zinc/56/84/12/782568412.db2.gz LUCOJXDXVDUDIK-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249519 782570267 /nfs/dbraw/zinc/57/02/67/782570267.db2.gz JLPFVDOLPDTFBG-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001333398522 1150045406 /nfs/dbraw/zinc/04/54/06/1150045406.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001333398522 1150045409 /nfs/dbraw/zinc/04/54/09/1150045409.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001333398522 1150045414 /nfs/dbraw/zinc/04/54/14/1150045414.db2.gz AHJQIHNFERVFHO-DLBZAZTESA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840652 782982327 /nfs/dbraw/zinc/98/23/27/782982327.db2.gz YUCRKNSJTSSLHG-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389789 783063615 /nfs/dbraw/zinc/06/36/15/783063615.db2.gz VXLZGBLECKYPNN-OWCLPIDISA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389789 783063618 /nfs/dbraw/zinc/06/36/18/783063618.db2.gz VXLZGBLECKYPNN-OWCLPIDISA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389789 783063623 /nfs/dbraw/zinc/06/36/23/783063623.db2.gz VXLZGBLECKYPNN-OWCLPIDISA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471406 783146418 /nfs/dbraw/zinc/14/64/18/783146418.db2.gz BTTDIYCMBBJVQT-GOEBONIOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947494542 783153078 /nfs/dbraw/zinc/15/30/78/783153078.db2.gz ZBRYDXMFEQHOPE-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565439 783213827 /nfs/dbraw/zinc/21/38/27/783213827.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565439 783213833 /nfs/dbraw/zinc/21/38/33/783213833.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565439 783213840 /nfs/dbraw/zinc/21/38/40/783213840.db2.gz SAYXSWKIZWXQGE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048800 790416812 /nfs/dbraw/zinc/41/68/12/790416812.db2.gz JOTCBNZFQVBNMN-OAHLLOKOSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048800 790416815 /nfs/dbraw/zinc/41/68/15/790416815.db2.gz JOTCBNZFQVBNMN-OAHLLOKOSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048800 790416816 /nfs/dbraw/zinc/41/68/16/790416816.db2.gz JOTCBNZFQVBNMN-OAHLLOKOSA-N 2 1 316.449 2.089 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050039 790417975 /nfs/dbraw/zinc/41/79/75/790417975.db2.gz HEBKWNOKVWPPGJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050039 790417980 /nfs/dbraw/zinc/41/79/80/790417980.db2.gz HEBKWNOKVWPPGJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050039 790417985 /nfs/dbraw/zinc/41/79/85/790417985.db2.gz HEBKWNOKVWPPGJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265037 776860805 /nfs/dbraw/zinc/86/08/05/776860805.db2.gz QFWOEWJCTYUBLL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2cnc(C[NH3+])cc2=N)cc1 ZINC001167362267 776952181 /nfs/dbraw/zinc/95/21/81/776952181.db2.gz RKYYASFJYBJIPS-KRWDZBQOSA-N 2 1 309.417 2.133 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2cnc(C[NH3+])cc2=N)cc1 ZINC001167362267 776952183 /nfs/dbraw/zinc/95/21/83/776952183.db2.gz RKYYASFJYBJIPS-KRWDZBQOSA-N 2 1 309.417 2.133 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536189 777180963 /nfs/dbraw/zinc/18/09/63/777180963.db2.gz OEEPPNNOKKBNLG-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599510 777389620 /nfs/dbraw/zinc/38/96/20/777389620.db2.gz ZTSWCPHESVXURS-CGZBRXJRSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104681992 778020408 /nfs/dbraw/zinc/02/04/08/778020408.db2.gz WISLGNKVKXAJPH-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167736718 778232455 /nfs/dbraw/zinc/23/24/55/778232455.db2.gz HPDMNGPUDBBLKD-INIZCTEOSA-N 2 1 307.482 2.171 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171121536 790693230 /nfs/dbraw/zinc/69/32/30/790693230.db2.gz UTLBTGYURLMHGY-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699693 779414468 /nfs/dbraw/zinc/41/44/68/779414468.db2.gz HDZNNABCZUVJMA-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699693 779414471 /nfs/dbraw/zinc/41/44/71/779414471.db2.gz HDZNNABCZUVJMA-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087699693 779414476 /nfs/dbraw/zinc/41/44/76/779414476.db2.gz HDZNNABCZUVJMA-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970827 779584990 /nfs/dbraw/zinc/58/49/90/779584990.db2.gz RGYZBLGGWIDGAL-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970827 779584994 /nfs/dbraw/zinc/58/49/94/779584994.db2.gz RGYZBLGGWIDGAL-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970827 779584997 /nfs/dbraw/zinc/58/49/97/779584997.db2.gz RGYZBLGGWIDGAL-ZJPYXAASSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081703 779685242 /nfs/dbraw/zinc/68/52/42/779685242.db2.gz AGNNFGOYOWPJNG-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081703 779685245 /nfs/dbraw/zinc/68/52/45/779685245.db2.gz AGNNFGOYOWPJNG-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081703 779685248 /nfs/dbraw/zinc/68/52/48/779685248.db2.gz AGNNFGOYOWPJNG-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101589313 780462072 /nfs/dbraw/zinc/46/20/72/780462072.db2.gz HOBKGGHHLNNBEO-MRXNPFEDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622278 780662705 /nfs/dbraw/zinc/66/27/05/780662705.db2.gz OKMZMNATOSXVQD-PVAVHDDUSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622278 780662713 /nfs/dbraw/zinc/66/27/13/780662713.db2.gz OKMZMNATOSXVQD-PVAVHDDUSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622278 780662719 /nfs/dbraw/zinc/66/27/19/780662719.db2.gz OKMZMNATOSXVQD-PVAVHDDUSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161883 781152130 /nfs/dbraw/zinc/15/21/30/781152130.db2.gz VCSYFHPXSBAPKD-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161883 781152135 /nfs/dbraw/zinc/15/21/35/781152135.db2.gz VCSYFHPXSBAPKD-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161883 781152139 /nfs/dbraw/zinc/15/21/39/781152139.db2.gz VCSYFHPXSBAPKD-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152607 /nfs/dbraw/zinc/15/26/07/781152607.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152609 /nfs/dbraw/zinc/15/26/09/781152609.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161974 781152612 /nfs/dbraw/zinc/15/26/12/781152612.db2.gz XMBYMUMUZQAQSO-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076398981 781249909 /nfs/dbraw/zinc/24/99/09/781249909.db2.gz QHRYKGAKSQUKBZ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732156 783395466 /nfs/dbraw/zinc/39/54/66/783395466.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732156 783395468 /nfs/dbraw/zinc/39/54/68/783395468.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732156 783395475 /nfs/dbraw/zinc/39/54/75/783395475.db2.gz NQYJTLTYASZEDD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639042 783915217 /nfs/dbraw/zinc/91/52/17/783915217.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639042 783915225 /nfs/dbraw/zinc/91/52/25/783915225.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639042 783915233 /nfs/dbraw/zinc/91/52/33/783915233.db2.gz GVXAQWPPHWBXAV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639815 783917102 /nfs/dbraw/zinc/91/71/02/783917102.db2.gz WPRCLXSGEYARBF-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085639815 783917107 /nfs/dbraw/zinc/91/71/07/783917107.db2.gz WPRCLXSGEYARBF-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639815 783917111 /nfs/dbraw/zinc/91/71/11/783917111.db2.gz WPRCLXSGEYARBF-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639815 783917117 /nfs/dbraw/zinc/91/71/17/783917117.db2.gz WPRCLXSGEYARBF-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460565 784399920 /nfs/dbraw/zinc/39/99/20/784399920.db2.gz WRPZOTAYGZZRLQ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086175238 784465224 /nfs/dbraw/zinc/46/52/24/784465224.db2.gz MQQCUKNDQFTLBW-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086175807 784465405 /nfs/dbraw/zinc/46/54/05/784465405.db2.gz MNKROHHBLPGNLN-SOLBZPMBSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681594 784538333 /nfs/dbraw/zinc/53/83/33/784538333.db2.gz KJFYIVPTHISITG-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000968915516 784648443 /nfs/dbraw/zinc/64/84/43/784648443.db2.gz LVWLIZUAMONQPK-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936856 784659638 /nfs/dbraw/zinc/65/96/38/784659638.db2.gz SHZKVVOLJMFAOR-QGZVFWFLSA-N 2 1 324.428 2.332 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968991000 784683811 /nfs/dbraw/zinc/68/38/11/784683811.db2.gz SZDOUNVJFCBLIP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968991000 784683819 /nfs/dbraw/zinc/68/38/19/784683819.db2.gz SZDOUNVJFCBLIP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCCCCC ZINC001155877609 784762642 /nfs/dbraw/zinc/76/26/42/784762642.db2.gz AEQVMEAYWVREIM-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877609 784762646 /nfs/dbraw/zinc/76/26/46/784762646.db2.gz AEQVMEAYWVREIM-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877609 784762651 /nfs/dbraw/zinc/76/26/51/784762651.db2.gz AEQVMEAYWVREIM-QGZVFWFLSA-N 2 1 309.498 2.348 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237063 791083091 /nfs/dbraw/zinc/08/30/91/791083091.db2.gz OKNCCSBQZDTEFT-QZTJIDSGSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008727929 785288154 /nfs/dbraw/zinc/28/81/54/785288154.db2.gz NYYQCTKSMQWFFL-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008727929 785288159 /nfs/dbraw/zinc/28/81/59/785288159.db2.gz NYYQCTKSMQWFFL-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109858148 786086743 /nfs/dbraw/zinc/08/67/43/786086743.db2.gz WQGPMETVAZKPNV-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109858148 786086750 /nfs/dbraw/zinc/08/67/50/786086750.db2.gz WQGPMETVAZKPNV-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109858148 786086755 /nfs/dbraw/zinc/08/67/55/786086755.db2.gz WQGPMETVAZKPNV-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112837805 786250135 /nfs/dbraw/zinc/25/01/35/786250135.db2.gz WGPSEJNBOWZHLH-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438470 786586487 /nfs/dbraw/zinc/58/64/87/786586487.db2.gz TWJWRULODADVGA-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014438470 786586493 /nfs/dbraw/zinc/58/64/93/786586493.db2.gz TWJWRULODADVGA-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014438470 786586497 /nfs/dbraw/zinc/58/64/97/786586497.db2.gz TWJWRULODADVGA-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113433262 786591878 /nfs/dbraw/zinc/59/18/78/786591878.db2.gz BQUHJKUWKBZSJS-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP C[N@@H+](CCO)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376127 786938806 /nfs/dbraw/zinc/93/88/06/786938806.db2.gz JWSWIGYJTFTHGH-UHFFFAOYSA-N 2 1 315.461 2.294 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434930 787689469 /nfs/dbraw/zinc/68/94/69/787689469.db2.gz PNNNXWDLXBAQNZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)CC[C@H]1C ZINC001132354740 788035334 /nfs/dbraw/zinc/03/53/34/788035334.db2.gz OYLSLXRKADYAFH-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132354740 788035342 /nfs/dbraw/zinc/03/53/42/788035342.db2.gz OYLSLXRKADYAFH-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519028 788106928 /nfs/dbraw/zinc/10/69/28/788106928.db2.gz RNYOREUJFBIEJL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524092 788112944 /nfs/dbraw/zinc/11/29/44/788112944.db2.gz CZOIMPBUVHZMCK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580776 788139463 /nfs/dbraw/zinc/13/94/63/788139463.db2.gz KLKOKCHEMVOVLX-ZJPYXAASSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795564 788197265 /nfs/dbraw/zinc/19/72/65/788197265.db2.gz VAIRCWSJZRTWAU-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263582 788339327 /nfs/dbraw/zinc/33/93/27/788339327.db2.gz XUZSAUAPLAMUMI-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314587 788366709 /nfs/dbraw/zinc/36/67/09/788366709.db2.gz OSWFTKYJNHBZAW-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086712280 788610035 /nfs/dbraw/zinc/61/00/35/788610035.db2.gz YISOCNVWXVPASX-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627749 789825593 /nfs/dbraw/zinc/82/55/93/789825593.db2.gz KSYDDJJYDFXEKD-UKRRQHHQSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583454 791576351 /nfs/dbraw/zinc/57/63/51/791576351.db2.gz QIDDOVRRDNUTCE-BRWVUGGUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001147583454 791576356 /nfs/dbraw/zinc/57/63/56/791576356.db2.gz QIDDOVRRDNUTCE-BRWVUGGUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583454 791576366 /nfs/dbraw/zinc/57/63/66/791576366.db2.gz QIDDOVRRDNUTCE-BRWVUGGUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147725071 791606998 /nfs/dbraw/zinc/60/69/98/791606998.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147725071 791607000 /nfs/dbraw/zinc/60/70/00/791607000.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001147725071 791607003 /nfs/dbraw/zinc/60/70/03/791607003.db2.gz RIMJEXCCHQQEBO-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001098463967 791634286 /nfs/dbraw/zinc/63/42/86/791634286.db2.gz JGBKWNXGDBLIEH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098463967 791634289 /nfs/dbraw/zinc/63/42/89/791634289.db2.gz JGBKWNXGDBLIEH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098463967 791634295 /nfs/dbraw/zinc/63/42/95/791634295.db2.gz JGBKWNXGDBLIEH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148285353 791729291 /nfs/dbraw/zinc/72/92/91/791729291.db2.gz PZDSXHJXHIMVFD-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315876 791737403 /nfs/dbraw/zinc/73/74/03/791737403.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315876 791737406 /nfs/dbraw/zinc/73/74/06/791737406.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315876 791737409 /nfs/dbraw/zinc/73/74/09/791737409.db2.gz YTXBSYODAZVNNP-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748080 791799658 /nfs/dbraw/zinc/79/96/58/791799658.db2.gz HKHXAKXHAAWYBA-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148748080 791799660 /nfs/dbraw/zinc/79/96/60/791799660.db2.gz HKHXAKXHAAWYBA-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093214 792089454 /nfs/dbraw/zinc/08/94/54/792089454.db2.gz XWXKFBPQGUIFFY-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093214 792089467 /nfs/dbraw/zinc/08/94/67/792089467.db2.gz XWXKFBPQGUIFFY-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144185 792114419 /nfs/dbraw/zinc/11/44/19/792114419.db2.gz BGDAOSCNZIVYGK-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144185 792114428 /nfs/dbraw/zinc/11/44/28/792114428.db2.gz BGDAOSCNZIVYGK-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099553708 792239143 /nfs/dbraw/zinc/23/91/43/792239143.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553708 792239150 /nfs/dbraw/zinc/23/91/50/792239150.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553708 792239160 /nfs/dbraw/zinc/23/91/60/792239160.db2.gz VRAPZZXNQCDTMT-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351977 793132218 /nfs/dbraw/zinc/13/22/18/793132218.db2.gz QUCPIPNTIKIVMM-JZXOWHBKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171812427 793221940 /nfs/dbraw/zinc/22/19/40/793221940.db2.gz PPGRJTXTVYRQRV-ZDUSSCGKSA-N 2 1 312.845 2.209 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480080 793627686 /nfs/dbraw/zinc/62/76/86/793627686.db2.gz VVMXKNZTHRIYAA-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578219 793662012 /nfs/dbraw/zinc/66/20/12/793662012.db2.gz QXKDSTFLPIIJRN-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578219 793662017 /nfs/dbraw/zinc/66/20/17/793662017.db2.gz QXKDSTFLPIIJRN-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578219 793662025 /nfs/dbraw/zinc/66/20/25/793662025.db2.gz QXKDSTFLPIIJRN-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102581086 793664103 /nfs/dbraw/zinc/66/41/03/793664103.db2.gz YUJLRWXRPUGDNP-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102581086 793664110 /nfs/dbraw/zinc/66/41/10/793664110.db2.gz YUJLRWXRPUGDNP-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103147906 793958154 /nfs/dbraw/zinc/95/81/54/793958154.db2.gz GCZCMDSKHFWYKA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380132 794064171 /nfs/dbraw/zinc/06/41/71/794064171.db2.gz GEOQUGUYQZWAJR-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176024939 794334621 /nfs/dbraw/zinc/33/46/21/794334621.db2.gz UXBSSSMGIHTMKQ-AWEZNQCLSA-N 2 1 303.878 2.345 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359845 794612694 /nfs/dbraw/zinc/61/26/94/794612694.db2.gz OMOCWIMHCUHSIX-NTDBWNAOSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177265991 794628082 /nfs/dbraw/zinc/62/80/82/794628082.db2.gz BLJKWYJKESYROR-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177415634 794666211 /nfs/dbraw/zinc/66/62/11/794666211.db2.gz GKWQRCZUNCHUIO-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115299690 794727072 /nfs/dbraw/zinc/72/70/72/794727072.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 2 1 309.498 2.343 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115299690 794727077 /nfs/dbraw/zinc/72/70/77/794727077.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 2 1 309.498 2.343 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115299690 794727082 /nfs/dbraw/zinc/72/70/82/794727082.db2.gz DDUKZPZINATWRV-VQFNDLOPSA-N 2 1 309.498 2.343 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115573676 794825981 /nfs/dbraw/zinc/82/59/81/794825981.db2.gz STGBFMPPXOLHOD-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178890511 795019932 /nfs/dbraw/zinc/01/99/32/795019932.db2.gz HIJWYZGYSBXBEM-JYJNAYRXSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178889971 795020583 /nfs/dbraw/zinc/02/05/83/795020583.db2.gz CRQDZPPCZXWISK-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178915349 795029917 /nfs/dbraw/zinc/02/99/17/795029917.db2.gz HEPVGGZZZKCLMD-KRWDZBQOSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788392 795176220 /nfs/dbraw/zinc/17/62/20/795176220.db2.gz YJGUWXWNMZKIHS-MSOLQXFVSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122177906 795732896 /nfs/dbraw/zinc/73/28/96/795732896.db2.gz MSKJHAPUBJAPDG-UHFFFAOYSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165110 795824683 /nfs/dbraw/zinc/82/46/83/795824683.db2.gz NHFJSRQYAIMLLG-ZHALLVOQSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001183228598 795828982 /nfs/dbraw/zinc/82/89/82/795828982.db2.gz MSTZOAHFMCDVSZ-CZUORRHYSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809434 796130371 /nfs/dbraw/zinc/13/03/71/796130371.db2.gz GNEXUVBXGJRKNR-DOMZBBRYSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185682986 796303548 /nfs/dbraw/zinc/30/35/48/796303548.db2.gz VLGLYTLSFICNJZ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185675988 796308101 /nfs/dbraw/zinc/30/81/01/796308101.db2.gz GEFMIXRUORCCQO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067772 796352593 /nfs/dbraw/zinc/35/25/93/796352593.db2.gz VZYSHOKSFMODKA-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605536 796427335 /nfs/dbraw/zinc/42/73/35/796427335.db2.gz OYXKREGOIXLKBR-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203036669 796521131 /nfs/dbraw/zinc/52/11/31/796521131.db2.gz PYDYXZXKFTURRI-IAGOWNOFSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443960 796998409 /nfs/dbraw/zinc/99/84/09/796998409.db2.gz MBISYNSBSVSQDW-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCC)C1 ZINC001190724868 797063667 /nfs/dbraw/zinc/06/36/67/797063667.db2.gz MOENGKZAWFSZIA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001190724868 797063675 /nfs/dbraw/zinc/06/36/75/797063675.db2.gz MOENGKZAWFSZIA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCC)C1 ZINC001190724868 797063682 /nfs/dbraw/zinc/06/36/82/797063682.db2.gz MOENGKZAWFSZIA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCC)C1 ZINC001190724868 797063689 /nfs/dbraw/zinc/06/36/89/797063689.db2.gz MOENGKZAWFSZIA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153802232 797399287 /nfs/dbraw/zinc/39/92/87/797399287.db2.gz FYUSBCANWURTBL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153802232 797399294 /nfs/dbraw/zinc/39/92/94/797399294.db2.gz FYUSBCANWURTBL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802232 797399301 /nfs/dbraw/zinc/39/93/01/797399301.db2.gz FYUSBCANWURTBL-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818818 797403817 /nfs/dbraw/zinc/40/38/17/797403817.db2.gz BSVUHBFJKYKZQX-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818818 797403820 /nfs/dbraw/zinc/40/38/20/797403820.db2.gz BSVUHBFJKYKZQX-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818818 797403825 /nfs/dbraw/zinc/40/38/25/797403825.db2.gz BSVUHBFJKYKZQX-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112685 797466650 /nfs/dbraw/zinc/46/66/50/797466650.db2.gz NMMYBAYPDRXAOY-CQSZACIVSA-N 2 1 322.453 2.143 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112685 797466655 /nfs/dbraw/zinc/46/66/55/797466655.db2.gz NMMYBAYPDRXAOY-CQSZACIVSA-N 2 1 322.453 2.143 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196155737 798015128 /nfs/dbraw/zinc/01/51/28/798015128.db2.gz RLRFNKOMWBNWKC-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2nccn21 ZINC001158217239 798361891 /nfs/dbraw/zinc/36/18/91/798361891.db2.gz IVMRKVCETIBJRJ-OAHLLOKOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228314 798364226 /nfs/dbraw/zinc/36/42/26/798364226.db2.gz ZGHXIVTXLHDFHO-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491630 798415788 /nfs/dbraw/zinc/41/57/88/798415788.db2.gz VBVATEIDKAOMII-MSOLQXFVSA-N 2 1 321.509 2.443 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491377 798416127 /nfs/dbraw/zinc/41/61/27/798416127.db2.gz PWOANGFHILFYMI-MSOLQXFVSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617199 798713134 /nfs/dbraw/zinc/71/31/34/798713134.db2.gz GTCJJDGGBBLVBQ-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214779858 798813046 /nfs/dbraw/zinc/81/30/46/798813046.db2.gz BBUGWNZMRSZUAL-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161925264 798970090 /nfs/dbraw/zinc/97/00/90/798970090.db2.gz ZBZLLIDLCJLPQG-HOTGVXAUSA-N 2 1 305.466 2.184 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930739 798970474 /nfs/dbraw/zinc/97/04/74/798970474.db2.gz IDMDURCTSFVXGU-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952657 798977665 /nfs/dbraw/zinc/97/76/65/798977665.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952657 798977668 /nfs/dbraw/zinc/97/76/68/798977668.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952657 798977671 /nfs/dbraw/zinc/97/76/71/798977671.db2.gz HXPQMQUCPZSKTQ-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110718811 798990435 /nfs/dbraw/zinc/99/04/35/798990435.db2.gz FMAKUNVEWNLYRA-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110718811 798990440 /nfs/dbraw/zinc/99/04/40/798990440.db2.gz FMAKUNVEWNLYRA-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718811 798990443 /nfs/dbraw/zinc/99/04/43/798990443.db2.gz FMAKUNVEWNLYRA-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718811 798990446 /nfs/dbraw/zinc/99/04/46/798990446.db2.gz FMAKUNVEWNLYRA-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488454 799148101 /nfs/dbraw/zinc/14/81/01/799148101.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488454 799148103 /nfs/dbraw/zinc/14/81/03/799148103.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488454 799148105 /nfs/dbraw/zinc/14/81/05/799148105.db2.gz NQUOVJBQXRHDPI-WCVJEAGWSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981448 799808229 /nfs/dbraw/zinc/80/82/29/799808229.db2.gz QKIKVTRDHWIQJB-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633572 800096095 /nfs/dbraw/zinc/09/60/95/800096095.db2.gz ZFHZBQIWRJILKA-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641229 800098503 /nfs/dbraw/zinc/09/85/03/800098503.db2.gz PQWSCCSHPBSDEL-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1OC ZINC001205266716 800333230 /nfs/dbraw/zinc/33/32/30/800333230.db2.gz WPGDUWIFCYVPGL-GOSISDBHSA-N 2 1 302.418 2.411 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003824 800456081 /nfs/dbraw/zinc/45/60/81/800456081.db2.gz MWWXTVGBENIMJF-QWHCGFSZSA-N 2 1 304.463 2.482 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099658 800690165 /nfs/dbraw/zinc/69/01/65/800690165.db2.gz QQWZDFOROGOWIV-KURKYZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281834 800721885 /nfs/dbraw/zinc/72/18/85/800721885.db2.gz HSQCCYUSLXCLDZ-AEFFLSMTSA-N 2 1 310.482 2.400 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684022 800806888 /nfs/dbraw/zinc/80/68/88/800806888.db2.gz JSEUJEWQYUMTLX-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073959 800906719 /nfs/dbraw/zinc/90/67/19/800906719.db2.gz QYYLQAKLOVPXFJ-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279258 800945082 /nfs/dbraw/zinc/94/50/82/800945082.db2.gz LTCTYHPVRSIVEG-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609826 801031233 /nfs/dbraw/zinc/03/12/33/801031233.db2.gz NFRDJYXVQQSYMB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609826 801031237 /nfs/dbraw/zinc/03/12/37/801031237.db2.gz NFRDJYXVQQSYMB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609826 801031241 /nfs/dbraw/zinc/03/12/41/801031241.db2.gz NFRDJYXVQQSYMB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609821 801031960 /nfs/dbraw/zinc/03/19/60/801031960.db2.gz NFRDJYXVQQSYMB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609821 801031967 /nfs/dbraw/zinc/03/19/67/801031967.db2.gz NFRDJYXVQQSYMB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609821 801031974 /nfs/dbraw/zinc/03/19/74/801031974.db2.gz NFRDJYXVQQSYMB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCC[N@@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001209200187 801148996 /nfs/dbraw/zinc/14/89/96/801148996.db2.gz ICSTWILPZBEIPH-GOSISDBHSA-N 2 1 310.482 2.404 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610443 801435394 /nfs/dbraw/zinc/43/53/94/801435394.db2.gz AZIMRXHSMKCMIT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374404 801557379 /nfs/dbraw/zinc/55/73/79/801557379.db2.gz GSQCHFXPEKWIJF-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374404 801557383 /nfs/dbraw/zinc/55/73/83/801557383.db2.gz GSQCHFXPEKWIJF-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168380 802941888 /nfs/dbraw/zinc/94/18/88/802941888.db2.gz VXSYVOBORCFFEZ-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC=C ZINC001226860989 803169470 /nfs/dbraw/zinc/16/94/70/803169470.db2.gz XVSFMEPZXHEESL-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC=C ZINC001226860989 803169482 /nfs/dbraw/zinc/16/94/82/803169482.db2.gz XVSFMEPZXHEESL-KURKYZTESA-N 2 1 317.477 2.067 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001227381533 803235885 /nfs/dbraw/zinc/23/58/85/803235885.db2.gz VODPUXDFZJFPJA-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464159 803242642 /nfs/dbraw/zinc/24/26/42/803242642.db2.gz DXYYFLTUJACSPW-HNNXBMFYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228603665 803379493 /nfs/dbraw/zinc/37/94/93/803379493.db2.gz RFPBBLBSNMAOHR-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001330900422 1149328222 /nfs/dbraw/zinc/32/82/22/1149328222.db2.gz OJBDRMBDLRJRQE-SJORKVTESA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370316032 1149526252 /nfs/dbraw/zinc/52/62/52/1149526252.db2.gz CMOSJYITXXFZNF-GJZGRUSLSA-N 2 1 315.889 2.250 20 30 DEEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001327252412 1148405868 /nfs/dbraw/zinc/40/58/68/1148405868.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001327252412 1148405876 /nfs/dbraw/zinc/40/58/76/1148405876.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001327252412 1148405881 /nfs/dbraw/zinc/40/58/81/1148405881.db2.gz OXDQLTCNGHZGTQ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001467727669 1059690678 /nfs/dbraw/zinc/69/06/78/1059690678.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001467727669 1059690692 /nfs/dbraw/zinc/69/06/92/1059690692.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001467727669 1059690700 /nfs/dbraw/zinc/69/07/00/1059690700.db2.gz OSDLOWNGXPUHQV-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502125897 1059962684 /nfs/dbraw/zinc/96/26/84/1059962684.db2.gz MNXXTFDIEKCYOP-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001505473811 1060643258 /nfs/dbraw/zinc/64/32/58/1060643258.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473811 1060643264 /nfs/dbraw/zinc/64/32/64/1060643264.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473811 1060643268 /nfs/dbraw/zinc/64/32/68/1060643268.db2.gz YQRZAKBHKFYSPV-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001479642038 1061555907 /nfs/dbraw/zinc/55/59/07/1061555907.db2.gz YDBAUZFJNPXEKO-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001479642038 1061555921 /nfs/dbraw/zinc/55/59/21/1061555921.db2.gz YDBAUZFJNPXEKO-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1CC ZINC001479642038 1061555935 /nfs/dbraw/zinc/55/59/35/1061555935.db2.gz YDBAUZFJNPXEKO-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001506176799 1061712816 /nfs/dbraw/zinc/71/28/16/1061712816.db2.gz IDNAVZXYTGPTHQ-ZWKOTPCHSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001479777679 1061742878 /nfs/dbraw/zinc/74/28/78/1061742878.db2.gz AMSIFDXYLSPSBX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001479777679 1061742892 /nfs/dbraw/zinc/74/28/92/1061742892.db2.gz AMSIFDXYLSPSBX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479777679 1061742906 /nfs/dbraw/zinc/74/29/06/1061742906.db2.gz AMSIFDXYLSPSBX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001480403188 1062808464 /nfs/dbraw/zinc/80/84/64/1062808464.db2.gz OVHLFPUJHLLIRS-FHERZECASA-N 2 1 316.449 2.047 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508020132 1063498653 /nfs/dbraw/zinc/49/86/53/1063498653.db2.gz FNSZEDUTLBRYER-IRXDYDNUSA-N 2 1 321.509 2.393 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001493209815 1063641138 /nfs/dbraw/zinc/64/11/38/1063641138.db2.gz COHXSEQKZVBTCM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493209815 1063641146 /nfs/dbraw/zinc/64/11/46/1063641146.db2.gz COHXSEQKZVBTCM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493209815 1063641154 /nfs/dbraw/zinc/64/11/54/1063641154.db2.gz COHXSEQKZVBTCM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001493850107 1063991268 /nfs/dbraw/zinc/99/12/68/1063991268.db2.gz OPXBFUULXRQLFK-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001494180007 1064159793 /nfs/dbraw/zinc/15/97/93/1064159793.db2.gz WETQANGNJXEQFW-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001567659342 1064321970 /nfs/dbraw/zinc/32/19/70/1064321970.db2.gz CVUZJSVUNJNIMX-KBAYOESNSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701233 1064358024 /nfs/dbraw/zinc/35/80/24/1064358024.db2.gz FINCYHYEJADSCL-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567732026 1064384284 /nfs/dbraw/zinc/38/42/84/1064384284.db2.gz URAKVBRAEHYLIK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001567732026 1064384299 /nfs/dbraw/zinc/38/42/99/1064384299.db2.gz URAKVBRAEHYLIK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001567732026 1064384313 /nfs/dbraw/zinc/38/43/13/1064384313.db2.gz URAKVBRAEHYLIK-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567730342 1064384372 /nfs/dbraw/zinc/38/43/72/1064384372.db2.gz ZRSORANSXVWUOS-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567730342 1064384380 /nfs/dbraw/zinc/38/43/80/1064384380.db2.gz ZRSORANSXVWUOS-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567730342 1064384393 /nfs/dbraw/zinc/38/43/93/1064384393.db2.gz ZRSORANSXVWUOS-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001568076133 1064635291 /nfs/dbraw/zinc/63/52/91/1064635291.db2.gz LTTPRZLFEKHUQW-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001568090280 1064640423 /nfs/dbraw/zinc/64/04/23/1064640423.db2.gz BRLNWUYFJBWBHH-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925011 /nfs/dbraw/zinc/92/50/11/1064925011.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925017 /nfs/dbraw/zinc/92/50/17/1064925017.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001568513430 1064925027 /nfs/dbraw/zinc/92/50/27/1064925027.db2.gz LFQDKXKGNAUDQM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001495698011 1065059976 /nfs/dbraw/zinc/05/99/76/1065059976.db2.gz XQWLWAOJGLAEQS-HIFRSBDPSA-N 2 1 315.889 2.201 20 30 DEEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569203161 1065363322 /nfs/dbraw/zinc/36/33/22/1065363322.db2.gz OCBLNFAHUOLLTQ-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496749296 1065687981 /nfs/dbraw/zinc/68/79/81/1065687981.db2.gz BUFPXPZZGXLAPK-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001569860548 1065773224 /nfs/dbraw/zinc/77/32/24/1065773224.db2.gz WCAPJAZNLFWCCL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001569860548 1065773240 /nfs/dbraw/zinc/77/32/40/1065773240.db2.gz WCAPJAZNLFWCCL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001569860548 1065773255 /nfs/dbraw/zinc/77/32/55/1065773255.db2.gz WCAPJAZNLFWCCL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570005141 1065875250 /nfs/dbraw/zinc/87/52/50/1065875250.db2.gz MEGHQKLCNUFAQP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001570184939 1065959582 /nfs/dbraw/zinc/95/95/82/1065959582.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)CC1 ZINC001570184939 1065959595 /nfs/dbraw/zinc/95/95/95/1065959595.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 2 1 321.509 2.493 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)CC1 ZINC001570184939 1065959607 /nfs/dbraw/zinc/95/96/07/1065959607.db2.gz BAKCQUYLKQITKM-GOSISDBHSA-N 2 1 321.509 2.493 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001497400782 1066073542 /nfs/dbraw/zinc/07/35/42/1066073542.db2.gz KVGARTWMFJGLSM-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001570505267 1066099915 /nfs/dbraw/zinc/09/99/15/1066099915.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001570505267 1066099922 /nfs/dbraw/zinc/09/99/22/1066099922.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001570505267 1066099930 /nfs/dbraw/zinc/09/99/30/1066099930.db2.gz UFCRRNQXZJVWBN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001570515251 1066101803 /nfs/dbraw/zinc/10/18/03/1066101803.db2.gz MVVSNISTJYRRMJ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001498894707 1066944377 /nfs/dbraw/zinc/94/43/77/1066944377.db2.gz VHJWRLGZVOJQSN-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267132756 1078605166 /nfs/dbraw/zinc/60/51/66/1078605166.db2.gz SCFYJLIPZYNJSV-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001267151829 1078615943 /nfs/dbraw/zinc/61/59/43/1078615943.db2.gz VOXXRSQEPIZTPD-AEFFLSMTSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001570550703 1068000865 /nfs/dbraw/zinc/00/08/65/1068000865.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550703 1068000879 /nfs/dbraw/zinc/00/08/79/1068000879.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550703 1068000892 /nfs/dbraw/zinc/00/08/92/1068000892.db2.gz DCCFGUNGHOQASU-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001570550704 1068001400 /nfs/dbraw/zinc/00/14/00/1068001400.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550704 1068001409 /nfs/dbraw/zinc/00/14/09/1068001409.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550704 1068001427 /nfs/dbraw/zinc/00/14/27/1068001427.db2.gz DCCFGUNGHOQASU-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001570680541 1068065746 /nfs/dbraw/zinc/06/57/46/1068065746.db2.gz GMTJHWJTAVPTCM-OAHLLOKOSA-N 2 1 318.465 2.014 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001422061091 1078644711 /nfs/dbraw/zinc/64/47/11/1078644711.db2.gz PKVJYXBMSDYWMA-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001571017120 1068173524 /nfs/dbraw/zinc/17/35/24/1068173524.db2.gz YFBCZWYXGPRILU-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001571017120 1068173529 /nfs/dbraw/zinc/17/35/29/1068173529.db2.gz YFBCZWYXGPRILU-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001571017120 1068173532 /nfs/dbraw/zinc/17/35/32/1068173532.db2.gz YFBCZWYXGPRILU-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571326723 1068222417 /nfs/dbraw/zinc/22/24/17/1068222417.db2.gz ZXVCXMIRTRCSPJ-GJZGRUSLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469389 1068321303 /nfs/dbraw/zinc/32/13/03/1068321303.db2.gz PBTTUKMGDQCNAA-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469389 1068321322 /nfs/dbraw/zinc/32/13/22/1068321322.db2.gz PBTTUKMGDQCNAA-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001571503704 1068361888 /nfs/dbraw/zinc/36/18/88/1068361888.db2.gz UUMCILLNHIJJLV-JENIJYKNSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001571505728 1068362950 /nfs/dbraw/zinc/36/29/50/1068362950.db2.gz VTXSLRJDEQDACC-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571505728 1068362963 /nfs/dbraw/zinc/36/29/63/1068362963.db2.gz VTXSLRJDEQDACC-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571505728 1068362978 /nfs/dbraw/zinc/36/29/78/1068362978.db2.gz VTXSLRJDEQDACC-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001571505730 1068364396 /nfs/dbraw/zinc/36/43/96/1068364396.db2.gz VTXSLRJDEQDACC-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571505730 1068364405 /nfs/dbraw/zinc/36/44/05/1068364405.db2.gz VTXSLRJDEQDACC-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001571505730 1068364413 /nfs/dbraw/zinc/36/44/13/1068364413.db2.gz VTXSLRJDEQDACC-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273206 1078719414 /nfs/dbraw/zinc/71/94/14/1078719414.db2.gz CLMHTOMOFQPOLC-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001571701966 1068491147 /nfs/dbraw/zinc/49/11/47/1068491147.db2.gz CODNWGMDIYBBRH-KRWDZBQOSA-N 2 1 319.424 2.202 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001272440341 1078876867 /nfs/dbraw/zinc/87/68/67/1078876867.db2.gz LDEJCSCCUWBAIC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001542326522 1072456191 /nfs/dbraw/zinc/45/61/91/1072456191.db2.gz GMTFLERZEFVUPH-RDJZCZTQSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001267509295 1078939105 /nfs/dbraw/zinc/93/91/05/1078939105.db2.gz QDENEKCGYPDYFQ-MRXNPFEDSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001267509295 1078939108 /nfs/dbraw/zinc/93/91/08/1078939108.db2.gz QDENEKCGYPDYFQ-MRXNPFEDSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267548167 1078978721 /nfs/dbraw/zinc/97/87/21/1078978721.db2.gz ZQCRVRUOVHWOHO-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267548167 1078978727 /nfs/dbraw/zinc/97/87/27/1078978727.db2.gz ZQCRVRUOVHWOHO-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267564639 1078998286 /nfs/dbraw/zinc/99/82/86/1078998286.db2.gz UGLHDVCIYXADQU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267564639 1078998295 /nfs/dbraw/zinc/99/82/95/1078998295.db2.gz UGLHDVCIYXADQU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267564639 1078998297 /nfs/dbraw/zinc/99/82/97/1078998297.db2.gz UGLHDVCIYXADQU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566750 1079001741 /nfs/dbraw/zinc/00/17/41/1079001741.db2.gz GNMZPYWLRILLAW-HNNXBMFYSA-N 2 1 304.438 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267583121 1079083134 /nfs/dbraw/zinc/08/31/34/1079083134.db2.gz KEJJEBLDQXTREW-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267588155 1079097097 /nfs/dbraw/zinc/09/70/97/1079097097.db2.gz URAKVBRAEHYLIK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848581 1079149991 /nfs/dbraw/zinc/14/99/91/1079149991.db2.gz UOKHAYJBRKPDCK-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001483882443 1079170192 /nfs/dbraw/zinc/17/01/92/1079170192.db2.gz BERQQEQULZUYRP-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001483882443 1079170199 /nfs/dbraw/zinc/17/01/99/1079170199.db2.gz BERQQEQULZUYRP-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001329342362 1148886360 /nfs/dbraw/zinc/88/63/60/1148886360.db2.gz XKIXZELOGAGCFF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001483985383 1079226038 /nfs/dbraw/zinc/22/60/38/1079226038.db2.gz VIDRNMUIHHLGMX-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001484022778 1079248272 /nfs/dbraw/zinc/24/82/72/1079248272.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484022778 1079248277 /nfs/dbraw/zinc/24/82/77/1079248277.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484022778 1079248279 /nfs/dbraw/zinc/24/82/79/1079248279.db2.gz OSGBCJOLEDJYFP-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267618706 1079278717 /nfs/dbraw/zinc/27/87/17/1079278717.db2.gz WCRMEDGTZDMQGV-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267688474 1079375626 /nfs/dbraw/zinc/37/56/26/1079375626.db2.gz LOXGRUWVJUSPPI-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001565868983 1075201585 /nfs/dbraw/zinc/20/15/85/1075201585.db2.gz SRAUZBJPOGGXIQ-SHTZXODSSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001566598748 1075293461 /nfs/dbraw/zinc/29/34/61/1075293461.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001566598748 1075293463 /nfs/dbraw/zinc/29/34/63/1075293463.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001566598748 1075293465 /nfs/dbraw/zinc/29/34/65/1075293465.db2.gz ZLRWCPYKMSDGTF-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCC)C1 ZINC001566895983 1075376733 /nfs/dbraw/zinc/37/67/33/1075376733.db2.gz UEVBKEDVCOIZPB-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCCC)C1 ZINC001566895983 1075376737 /nfs/dbraw/zinc/37/67/37/1075376737.db2.gz UEVBKEDVCOIZPB-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001566972907 1075405893 /nfs/dbraw/zinc/40/58/93/1075405893.db2.gz WADFBHTXBUSADV-YTGMWSOZSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566972907 1075405897 /nfs/dbraw/zinc/40/58/97/1075405897.db2.gz WADFBHTXBUSADV-YTGMWSOZSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001566972907 1075405905 /nfs/dbraw/zinc/40/59/05/1075405905.db2.gz WADFBHTXBUSADV-YTGMWSOZSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054442 1075424068 /nfs/dbraw/zinc/42/40/68/1075424068.db2.gz RLELFCMBXCORKT-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267764805 1079468547 /nfs/dbraw/zinc/46/85/47/1079468547.db2.gz ZSZLFOPBMOGTRB-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267764803 1079468660 /nfs/dbraw/zinc/46/86/60/1079468660.db2.gz ZSZLFOPBMOGTRB-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267912481 1079596892 /nfs/dbraw/zinc/59/68/92/1079596892.db2.gz RXKKUPANMLCDCT-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335263 1079730503 /nfs/dbraw/zinc/73/05/03/1079730503.db2.gz SZDGSGXYNMLGIK-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268082318 1080036562 /nfs/dbraw/zinc/03/65/62/1080036562.db2.gz VWSPWUUVMQKKHP-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001268138440 1080106772 /nfs/dbraw/zinc/10/67/72/1080106772.db2.gz QTSQNNVJJKDLJQ-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001661142344 1080447106 /nfs/dbraw/zinc/44/71/06/1080447106.db2.gz JPSVIDAXAQTTGO-IRXDYDNUSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485815572 1080496769 /nfs/dbraw/zinc/49/67/69/1080496769.db2.gz LYZYXTBNSPCLGG-SJORKVTESA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268455010 1080498954 /nfs/dbraw/zinc/49/89/54/1080498954.db2.gz ATGIOCDNYDSOLX-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661895364 1080541387 /nfs/dbraw/zinc/54/13/87/1080541387.db2.gz DLVRXCGPDBXZRS-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001661925319 1080545624 /nfs/dbraw/zinc/54/56/24/1080545624.db2.gz DCHJIEQBXHSCHL-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481975130 1080662217 /nfs/dbraw/zinc/66/22/17/1080662217.db2.gz QLYAOAKOVSZTEU-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001662866949 1080669114 /nfs/dbraw/zinc/66/91/14/1080669114.db2.gz CHTQODOKBRWSMN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001662866949 1080669116 /nfs/dbraw/zinc/66/91/16/1080669116.db2.gz CHTQODOKBRWSMN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001664760812 1080957281 /nfs/dbraw/zinc/95/72/81/1080957281.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001664760812 1080957285 /nfs/dbraw/zinc/95/72/85/1080957285.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001664760812 1080957290 /nfs/dbraw/zinc/95/72/90/1080957290.db2.gz ZGLHDGHUMRYESH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664807006 1080963543 /nfs/dbraw/zinc/96/35/43/1080963543.db2.gz PKEKPOLHHFNCBO-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001664876283 1080974721 /nfs/dbraw/zinc/97/47/21/1080974721.db2.gz QDADEBSQUTUHJQ-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001664876283 1080974728 /nfs/dbraw/zinc/97/47/28/1080974728.db2.gz QDADEBSQUTUHJQ-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001664876283 1080974735 /nfs/dbraw/zinc/97/47/35/1080974735.db2.gz QDADEBSQUTUHJQ-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001665567199 1081040608 /nfs/dbraw/zinc/04/06/08/1081040608.db2.gz OOWNQMCZAMAJBE-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001665567199 1081040615 /nfs/dbraw/zinc/04/06/15/1081040615.db2.gz OOWNQMCZAMAJBE-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001665567199 1081040622 /nfs/dbraw/zinc/04/06/22/1081040622.db2.gz OOWNQMCZAMAJBE-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269071616 1081109095 /nfs/dbraw/zinc/10/90/95/1081109095.db2.gz NDXLTXSXJFXCEG-SJLPKXTDSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001666054812 1081116406 /nfs/dbraw/zinc/11/64/06/1081116406.db2.gz FNQMFSYDKDYTOU-MAUKXSAKSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001666297959 1081141201 /nfs/dbraw/zinc/14/12/01/1081141201.db2.gz DJIKSJMFZZXZQV-QAQDUYKDSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001667498151 1081258741 /nfs/dbraw/zinc/25/87/41/1081258741.db2.gz IORSDEWXCSBIGJ-DLBZAZTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001671901618 1081547911 /nfs/dbraw/zinc/54/79/11/1081547911.db2.gz PVRDFEZZFWQIPI-GOSISDBHSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001672315325 1081582327 /nfs/dbraw/zinc/58/23/27/1081582327.db2.gz KENUHARKEBJPOA-HOTGVXAUSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001270749125 1081624217 /nfs/dbraw/zinc/62/42/17/1081624217.db2.gz LFBUFYQXLNRHIC-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001673625179 1081786003 /nfs/dbraw/zinc/78/60/03/1081786003.db2.gz LWBSGFHFCLULAQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001674154785 1081849399 /nfs/dbraw/zinc/84/93/99/1081849399.db2.gz MLKPVRIGFNHZBR-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001674154785 1081849401 /nfs/dbraw/zinc/84/94/01/1081849401.db2.gz MLKPVRIGFNHZBR-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001674154785 1081849405 /nfs/dbraw/zinc/84/94/05/1081849405.db2.gz MLKPVRIGFNHZBR-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001674154785 1081849408 /nfs/dbraw/zinc/84/94/08/1081849408.db2.gz MLKPVRIGFNHZBR-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001674224345 1081851854 /nfs/dbraw/zinc/85/18/54/1081851854.db2.gz MSYMBGJRCGZTBW-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001674393047 1081865929 /nfs/dbraw/zinc/86/59/29/1081865929.db2.gz LKLSCYARBOQCAJ-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674506644 1081885208 /nfs/dbraw/zinc/88/52/08/1081885208.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506644 1081885213 /nfs/dbraw/zinc/88/52/13/1081885213.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506644 1081885219 /nfs/dbraw/zinc/88/52/19/1081885219.db2.gz YWLPVFNHILNLDP-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001482537579 1082183996 /nfs/dbraw/zinc/18/39/96/1082183996.db2.gz DXZIWTCSFKLHJL-KRWDZBQOSA-N 2 1 321.509 2.393 20 30 DEEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001482571708 1082253459 /nfs/dbraw/zinc/25/34/59/1082253459.db2.gz NXEKSDYANUMCDY-QZTJIDSGSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643658 1083554991 /nfs/dbraw/zinc/55/49/91/1083554991.db2.gz QCAGBLYURRTWCS-IEBWSBKVSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001276718405 1083567625 /nfs/dbraw/zinc/56/76/25/1083567625.db2.gz SVOJETDKBUTTCN-TVFCKZIOSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001493222082 1083575678 /nfs/dbraw/zinc/57/56/78/1083575678.db2.gz DHLHADDJEFNHPU-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001493222082 1083575669 /nfs/dbraw/zinc/57/56/69/1083575669.db2.gz DHLHADDJEFNHPU-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276839592 1083639694 /nfs/dbraw/zinc/63/96/94/1083639694.db2.gz KQEMCDAZUDDWKU-KSZLIROESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001276839507 1083640163 /nfs/dbraw/zinc/64/01/63/1083640163.db2.gz JPUQZFVSWHEPKU-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001276983539 1083717046 /nfs/dbraw/zinc/71/70/46/1083717046.db2.gz MXKCGYMKKNEBLL-BRWVUGGUSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835507 1083770525 /nfs/dbraw/zinc/77/05/25/1083770525.db2.gz XIPJDMLBFVZWJM-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835507 1083770532 /nfs/dbraw/zinc/77/05/32/1083770532.db2.gz XIPJDMLBFVZWJM-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001277393293 1083941544 /nfs/dbraw/zinc/94/15/44/1083941544.db2.gz IMUVIXRZNLZNJJ-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001277592273 1084048891 /nfs/dbraw/zinc/04/88/91/1084048891.db2.gz XZHUYLDDCCQHBB-IAGOWNOFSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491122396 1084088275 /nfs/dbraw/zinc/08/82/75/1084088275.db2.gz IYNRXUHMPAEQMD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001670918632 1084140779 /nfs/dbraw/zinc/14/07/79/1084140779.db2.gz KVCRMSXAHBKYEL-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001670918632 1084140782 /nfs/dbraw/zinc/14/07/82/1084140782.db2.gz KVCRMSXAHBKYEL-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001670918632 1084140789 /nfs/dbraw/zinc/14/07/89/1084140789.db2.gz KVCRMSXAHBKYEL-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298501 1084220350 /nfs/dbraw/zinc/22/03/50/1084220350.db2.gz CFFFVYLZPDUJDS-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298501 1084220355 /nfs/dbraw/zinc/22/03/55/1084220355.db2.gz CFFFVYLZPDUJDS-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001671044053 1084229656 /nfs/dbraw/zinc/22/96/56/1084229656.db2.gz AMUQSBMDTCLUAY-SFHVURJKSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235339808 1084395345 /nfs/dbraw/zinc/39/53/45/1084395345.db2.gz YXZXEVGXDSNLLJ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001235339808 1084395356 /nfs/dbraw/zinc/39/53/56/1084395356.db2.gz YXZXEVGXDSNLLJ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](CCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277945250 1084430035 /nfs/dbraw/zinc/43/00/35/1084430035.db2.gz SYUVEHIEPWSVGQ-CALCHBBNSA-N 2 1 315.465 2.176 20 30 DEEDMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](CCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277945250 1084430039 /nfs/dbraw/zinc/43/00/39/1084430039.db2.gz SYUVEHIEPWSVGQ-CALCHBBNSA-N 2 1 315.465 2.176 20 30 DEEDMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](CCCC#N)C[C@H]3CC2)n(C)n1 ZINC001277945250 1084430043 /nfs/dbraw/zinc/43/00/43/1084430043.db2.gz SYUVEHIEPWSVGQ-CALCHBBNSA-N 2 1 315.465 2.176 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001486409692 1085279814 /nfs/dbraw/zinc/27/98/14/1085279814.db2.gz IQTXTVHQDXHKCG-GOEBONIOSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001486413018 1085283011 /nfs/dbraw/zinc/28/30/11/1085283011.db2.gz YIIZNLWUZFVMEX-JYJNAYRXSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001486520239 1085402649 /nfs/dbraw/zinc/40/26/49/1085402649.db2.gz IVSQNRGLCBIPIR-DOTOQJQBSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486520239 1085402651 /nfs/dbraw/zinc/40/26/51/1085402651.db2.gz IVSQNRGLCBIPIR-DOTOQJQBSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486520239 1085402656 /nfs/dbraw/zinc/40/26/56/1085402656.db2.gz IVSQNRGLCBIPIR-DOTOQJQBSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960723651 1085427492 /nfs/dbraw/zinc/42/74/92/1085427492.db2.gz QYFIEEQFCRURRS-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960723651 1085427494 /nfs/dbraw/zinc/42/74/94/1085427494.db2.gz QYFIEEQFCRURRS-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960723651 1085427497 /nfs/dbraw/zinc/42/74/97/1085427497.db2.gz QYFIEEQFCRURRS-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273029972 1086037915 /nfs/dbraw/zinc/03/79/15/1086037915.db2.gz HSWIEFRVWAECKP-GOSISDBHSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957278430 1088138792 /nfs/dbraw/zinc/13/87/92/1088138792.db2.gz JPRAAKJKNWQIGM-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345979 1088841577 /nfs/dbraw/zinc/84/15/77/1088841577.db2.gz HXSYFYYYRDXRPE-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345979 1088841602 /nfs/dbraw/zinc/84/16/02/1088841602.db2.gz HXSYFYYYRDXRPE-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828940 1088901282 /nfs/dbraw/zinc/90/12/82/1088901282.db2.gz NJDWOCWFXNDPON-TWMKSMIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554614 1089060908 /nfs/dbraw/zinc/06/09/08/1089060908.db2.gz XXKQFMGYYLPMBM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521739 1090316868 /nfs/dbraw/zinc/31/68/68/1090316868.db2.gz VMBIFNQLOWVJAC-RHSMWYFYSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274267309 1091159075 /nfs/dbraw/zinc/15/90/75/1091159075.db2.gz DBUPGWQEERWHAE-GOSISDBHSA-N 2 1 310.401 2.173 20 30 DEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001274886071 1091457539 /nfs/dbraw/zinc/45/75/39/1091457539.db2.gz ZHLMRQIQKYUCKC-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001273447357 1091767559 /nfs/dbraw/zinc/76/75/59/1091767559.db2.gz WNGYAMIJGGRWTM-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001490838455 1091816849 /nfs/dbraw/zinc/81/68/49/1091816849.db2.gz ZFJJTZYNBVMEJS-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833294 1091961489 /nfs/dbraw/zinc/96/14/89/1091961489.db2.gz PBQGUEXXDGUEFV-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273848052 1092310276 /nfs/dbraw/zinc/31/02/76/1092310276.db2.gz GBSRIMSXKVOZST-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275928558 1092324808 /nfs/dbraw/zinc/32/48/08/1092324808.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928558 1092324819 /nfs/dbraw/zinc/32/48/19/1092324819.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001275928558 1092324832 /nfs/dbraw/zinc/32/48/32/1092324832.db2.gz OCIGKKRDIVAGMZ-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C#CCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001275975513 1092415418 /nfs/dbraw/zinc/41/54/18/1092415418.db2.gz HNIJCLBEZGXLQL-UHFFFAOYSA-N 2 1 313.445 2.489 20 30 DEEDMP C#CCCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275975718 1092416278 /nfs/dbraw/zinc/41/62/78/1092416278.db2.gz LRONHEVDOQFPSA-SFHVURJKSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275975718 1092416282 /nfs/dbraw/zinc/41/62/82/1092416282.db2.gz LRONHEVDOQFPSA-SFHVURJKSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCCC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275975718 1092416288 /nfs/dbraw/zinc/41/62/88/1092416288.db2.gz LRONHEVDOQFPSA-SFHVURJKSA-N 2 1 300.450 2.084 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488689264 1092687415 /nfs/dbraw/zinc/68/74/15/1092687415.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488689264 1092687423 /nfs/dbraw/zinc/68/74/23/1092687423.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488689264 1092687426 /nfs/dbraw/zinc/68/74/26/1092687426.db2.gz KVZZWQBIVMJJDT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001488974784 1092858996 /nfs/dbraw/zinc/85/89/96/1092858996.db2.gz KEABZVHEXFNVHM-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001489309117 1093010848 /nfs/dbraw/zinc/01/08/48/1093010848.db2.gz KEPZZLNDAIZUGO-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001489309117 1093010853 /nfs/dbraw/zinc/01/08/53/1093010853.db2.gz KEPZZLNDAIZUGO-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001489309117 1093010856 /nfs/dbraw/zinc/01/08/56/1093010856.db2.gz KEPZZLNDAIZUGO-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493163224 1093277733 /nfs/dbraw/zinc/27/77/33/1093277733.db2.gz UDRXZVDKGINXNZ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001490387065 1093339002 /nfs/dbraw/zinc/33/90/02/1093339002.db2.gz DUIAREHPWOENGV-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001490387065 1093339012 /nfs/dbraw/zinc/33/90/12/1093339012.db2.gz DUIAREHPWOENGV-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C[NH+]1CCN(c2cc(C[NH+]3CCC(S)CC3)ccc2F)CC1 ZINC001236973568 1138472344 /nfs/dbraw/zinc/47/23/44/1138472344.db2.gz MAMIJAZGOXFPAN-UHFFFAOYSA-N 2 1 323.481 2.472 20 30 DEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001316668721 1140308814 /nfs/dbraw/zinc/30/88/14/1140308814.db2.gz KFDPMOKVTSWPQS-QGZVFWFLSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318838056 1140431283 /nfs/dbraw/zinc/43/12/83/1140431283.db2.gz SUFIZCGVYGMDDS-QGZVFWFLSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001319659350 1140648112 /nfs/dbraw/zinc/64/81/12/1140648112.db2.gz JSBNYNQETOWJKN-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001319876087 1140792062 /nfs/dbraw/zinc/79/20/62/1140792062.db2.gz GRWACKQGYBTSBF-SFHVURJKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001320047927 1140816329 /nfs/dbraw/zinc/81/63/29/1140816329.db2.gz LFMQKBYNQKVNPR-ULQDDVLXSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320047927 1140816330 /nfs/dbraw/zinc/81/63/30/1140816330.db2.gz LFMQKBYNQKVNPR-ULQDDVLXSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320047927 1140816332 /nfs/dbraw/zinc/81/63/32/1140816332.db2.gz LFMQKBYNQKVNPR-ULQDDVLXSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(OCC)CC1 ZINC001246308864 1140883060 /nfs/dbraw/zinc/88/30/60/1140883060.db2.gz SKQJMDBVCNQQEW-GPANFISMSA-N 2 1 312.454 2.151 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769784 1141053747 /nfs/dbraw/zinc/05/37/47/1141053747.db2.gz RLBUMXWUBWZYQS-ZFHLEULCSA-N 2 1 306.450 2.096 20 30 DEEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587580 1142883077 /nfs/dbraw/zinc/88/30/77/1142883077.db2.gz DLVRIWQQYDNKFJ-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587580 1142883079 /nfs/dbraw/zinc/88/30/79/1142883079.db2.gz DLVRIWQQYDNKFJ-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587580 1142883080 /nfs/dbraw/zinc/88/30/80/1142883080.db2.gz DLVRIWQQYDNKFJ-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C#C[C@@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254039442 1143031570 /nfs/dbraw/zinc/03/15/70/1143031570.db2.gz GRDMRFDKRRSMDJ-GOSISDBHSA-N 2 1 312.457 2.359 20 30 DEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254517329 1143177445 /nfs/dbraw/zinc/17/74/45/1143177445.db2.gz UPCRPEXNGXKYNB-INIZCTEOSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@H+](C)CC1)CC2 ZINC001254517330 1143177634 /nfs/dbraw/zinc/17/76/34/1143177634.db2.gz UPCRPEXNGXKYNB-MRXNPFEDSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894276 1143737784 /nfs/dbraw/zinc/73/77/84/1143737784.db2.gz VWAOWSCDCMJLCL-RYQLBKOJSA-N 2 1 305.466 2.004 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](C)CC1)CC2 ZINC001256205236 1143835624 /nfs/dbraw/zinc/83/56/24/1143835624.db2.gz RLNCEPWCMDEDAN-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](C)CC1)CC2 ZINC001256205236 1143835626 /nfs/dbraw/zinc/83/56/26/1143835626.db2.gz RLNCEPWCMDEDAN-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001278929866 1143842796 /nfs/dbraw/zinc/84/27/96/1143842796.db2.gz NGMYFUANXVNIEF-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001278929866 1143842798 /nfs/dbraw/zinc/84/27/98/1143842798.db2.gz NGMYFUANXVNIEF-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001278929866 1143842799 /nfs/dbraw/zinc/84/27/99/1143842799.db2.gz NGMYFUANXVNIEF-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373060 1144518536 /nfs/dbraw/zinc/51/85/36/1144518536.db2.gz QWOXHEZFEADPQK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001264393545 1144527133 /nfs/dbraw/zinc/52/71/33/1144527133.db2.gz CAAYYGIRTNHWPJ-BBWFWOEESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001264393545 1144527138 /nfs/dbraw/zinc/52/71/38/1144527138.db2.gz CAAYYGIRTNHWPJ-BBWFWOEESA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001264497321 1144547566 /nfs/dbraw/zinc/54/75/66/1144547566.db2.gz QZJCBRGTPKZUHR-INIZCTEOSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001264755370 1144607611 /nfs/dbraw/zinc/60/76/11/1144607611.db2.gz OMXXYXYPVJZHPS-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264986585 1144619999 /nfs/dbraw/zinc/61/99/99/1144619999.db2.gz PYDFYLLDKGYGJW-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264986585 1144620003 /nfs/dbraw/zinc/62/00/03/1144620003.db2.gz PYDFYLLDKGYGJW-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001265087257 1144640648 /nfs/dbraw/zinc/64/06/48/1144640648.db2.gz XHBOSQBWXLZHBB-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235248 1144674014 /nfs/dbraw/zinc/67/40/14/1144674014.db2.gz LLLHKVLCMBPIPW-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235248 1144674020 /nfs/dbraw/zinc/67/40/20/1144674020.db2.gz LLLHKVLCMBPIPW-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266112903 1144806723 /nfs/dbraw/zinc/80/67/23/1144806723.db2.gz CKSAZDYPKGBDJL-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001266150183 1144809963 /nfs/dbraw/zinc/80/99/63/1144809963.db2.gz URXPRLBIANSKOR-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576886 1144824990 /nfs/dbraw/zinc/82/49/90/1144824990.db2.gz QHRDCERTCGBMCU-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576886 1144824992 /nfs/dbraw/zinc/82/49/92/1144824992.db2.gz QHRDCERTCGBMCU-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576227 1144825006 /nfs/dbraw/zinc/82/50/06/1144825006.db2.gz LTPJQLHKZPHMDL-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001279576227 1144825007 /nfs/dbraw/zinc/82/50/07/1144825007.db2.gz LTPJQLHKZPHMDL-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001279576227 1144825008 /nfs/dbraw/zinc/82/50/08/1144825008.db2.gz LTPJQLHKZPHMDL-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559636 1144897308 /nfs/dbraw/zinc/89/73/08/1144897308.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559636 1144897310 /nfs/dbraw/zinc/89/73/10/1144897310.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559636 1144897311 /nfs/dbraw/zinc/89/73/11/1144897311.db2.gz XYXCFRFOZFXZCS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001282992818 1145228543 /nfs/dbraw/zinc/22/85/43/1145228543.db2.gz PMEGNURZOLRPLJ-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154453 1147102234 /nfs/dbraw/zinc/10/22/34/1147102234.db2.gz NJROWAOCNINLME-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001366246314 1147156898 /nfs/dbraw/zinc/15/68/98/1147156898.db2.gz HMPODEDNYDMFFR-UHFFFAOYSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501855 1147535596 /nfs/dbraw/zinc/53/55/96/1147535596.db2.gz MHCVNLCDBNWMFZ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317501855 1147535600 /nfs/dbraw/zinc/53/56/00/1147535600.db2.gz MHCVNLCDBNWMFZ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317501855 1147535603 /nfs/dbraw/zinc/53/56/03/1147535603.db2.gz MHCVNLCDBNWMFZ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317042770 1147581360 /nfs/dbraw/zinc/58/13/60/1147581360.db2.gz GQVHRVLKVOHGIC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317042770 1147581366 /nfs/dbraw/zinc/58/13/66/1147581366.db2.gz GQVHRVLKVOHGIC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001316799628 1147601611 /nfs/dbraw/zinc/60/16/11/1147601611.db2.gz GWZMLANMPKQTHD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947330 1147636964 /nfs/dbraw/zinc/63/69/64/1147636964.db2.gz KEZIBXPYQQKHFQ-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317045972 1147652584 /nfs/dbraw/zinc/65/25/84/1147652584.db2.gz UBGCBYWAIFYGBN-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317045972 1147652585 /nfs/dbraw/zinc/65/25/85/1147652585.db2.gz UBGCBYWAIFYGBN-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206979 1147677071 /nfs/dbraw/zinc/67/70/71/1147677071.db2.gz HTAGOVRDCGDNIU-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317301793 1147687999 /nfs/dbraw/zinc/68/79/99/1147687999.db2.gz ATWOUQSKQPMXRU-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317407845 1147702284 /nfs/dbraw/zinc/70/22/84/1147702284.db2.gz ZGPJJMQGWCTIFM-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317450874 1147710584 /nfs/dbraw/zinc/71/05/84/1147710584.db2.gz YLCMFHNJRSLOFR-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317450874 1147710586 /nfs/dbraw/zinc/71/05/86/1147710586.db2.gz YLCMFHNJRSLOFR-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001317450874 1147710588 /nfs/dbraw/zinc/71/05/88/1147710588.db2.gz YLCMFHNJRSLOFR-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317791142 1147752817 /nfs/dbraw/zinc/75/28/17/1147752817.db2.gz ZQTMUWLYIACPLK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317791142 1147752819 /nfs/dbraw/zinc/75/28/19/1147752819.db2.gz ZQTMUWLYIACPLK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317791142 1147752821 /nfs/dbraw/zinc/75/28/21/1147752821.db2.gz ZQTMUWLYIACPLK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001318129363 1147779414 /nfs/dbraw/zinc/77/94/14/1147779414.db2.gz OJKJMZKCDCVOMF-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204930 1147796601 /nfs/dbraw/zinc/79/66/01/1147796601.db2.gz VVBRGFRCSJDBRQ-IKGGRYGDSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324786793 1147844552 /nfs/dbraw/zinc/84/45/52/1147844552.db2.gz ALDWTOSGMNBVQC-SFHVURJKSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001324970615 1147862728 /nfs/dbraw/zinc/86/27/28/1147862728.db2.gz AQDJIRIURNWMRX-QGZVFWFLSA-N 2 1 304.438 2.137 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718777 358324576 /nfs/dbraw/zinc/32/45/76/358324576.db2.gz TZVZMMNUVZEFLV-FQEVSTJZSA-N 2 1 323.440 2.183 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718777 358324579 /nfs/dbraw/zinc/32/45/79/358324579.db2.gz TZVZMMNUVZEFLV-FQEVSTJZSA-N 2 1 323.440 2.183 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000187678275 200142948 /nfs/dbraw/zinc/14/29/48/200142948.db2.gz VOBSICUXFPAQJU-LPHOPBHVSA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000602556085 360431107 /nfs/dbraw/zinc/43/11/07/360431107.db2.gz QJWKMLSTDMQEKA-NZSAHSFTSA-N 2 1 315.461 2.399 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000602556085 360431112 /nfs/dbraw/zinc/43/11/12/360431112.db2.gz QJWKMLSTDMQEKA-NZSAHSFTSA-N 2 1 315.461 2.399 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000619508227 363815569 /nfs/dbraw/zinc/81/55/69/363815569.db2.gz VRTINICRXSUSDE-PKOBYXMFSA-N 2 1 313.445 2.372 20 30 DEEDMP CN(CC[N@H+](C)Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC000192134697 145071817 /nfs/dbraw/zinc/07/18/17/145071817.db2.gz UKZKSCZKXWRROA-UHFFFAOYSA-N 2 1 318.440 2.155 20 30 DEEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC000192134697 145071818 /nfs/dbraw/zinc/07/18/18/145071818.db2.gz UKZKSCZKXWRROA-UHFFFAOYSA-N 2 1 318.440 2.155 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155828 402199271 /nfs/dbraw/zinc/19/92/71/402199271.db2.gz JLDKXLVPXXHUPT-QGZVFWFLSA-N 2 1 318.465 2.489 20 30 DEEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159019457 402316201 /nfs/dbraw/zinc/31/62/01/402316201.db2.gz KSBGAYURDBFNOE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP COc1ccccc1[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000262653271 402729164 /nfs/dbraw/zinc/72/91/64/402729164.db2.gz KXZFAYJVEJENBL-MRXNPFEDSA-N 2 1 316.449 2.113 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N(C)C2CC2)cc1F ZINC000273347916 402996716 /nfs/dbraw/zinc/99/67/16/402996716.db2.gz PFQDQAICVSOMNS-UHFFFAOYSA-N 2 1 301.369 2.229 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280674429 403025972 /nfs/dbraw/zinc/02/59/72/403025972.db2.gz YUJNZAWMRDZTJY-RBSFLKMASA-N 2 1 318.440 2.460 20 30 DEEDMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C#N ZINC000278017656 403280076 /nfs/dbraw/zinc/28/00/76/403280076.db2.gz WGEDIHVFXVZWHJ-HNNXBMFYSA-N 2 1 317.433 2.157 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(CC#N)cc1 ZINC000342724046 403322870 /nfs/dbraw/zinc/32/28/70/403322870.db2.gz DFFUGWGLOJTWMF-CEXWTWQISA-N 2 1 313.445 2.436 20 30 DEEDMP C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070487 403750817 /nfs/dbraw/zinc/75/08/17/403750817.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070487 403750820 /nfs/dbraw/zinc/75/08/20/403750820.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070487 403750823 /nfs/dbraw/zinc/75/08/23/403750823.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070487 403750825 /nfs/dbraw/zinc/75/08/25/403750825.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070487 403750829 /nfs/dbraw/zinc/75/08/29/403750829.db2.gz RZVPJWRHBHYGKJ-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000330145764 404565587 /nfs/dbraw/zinc/56/55/87/404565587.db2.gz SLMBPQSIXFSOTA-IMJJTQAJSA-N 2 1 302.422 2.337 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000330145764 404565592 /nfs/dbraw/zinc/56/55/92/404565592.db2.gz SLMBPQSIXFSOTA-IMJJTQAJSA-N 2 1 302.422 2.337 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759680 406237545 /nfs/dbraw/zinc/23/75/45/406237545.db2.gz GIOIXYNVUZFCBO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000569837435 406310781 /nfs/dbraw/zinc/31/07/81/406310781.db2.gz PVHMRXXNCVVPLZ-SFHVURJKSA-N 2 1 318.461 2.229 20 30 DEEDMP C#CCN1CCC[C@@H]1COC(=O)c1ccc(-n2ccnc2)cc1 ZINC000490914259 406506386 /nfs/dbraw/zinc/50/63/86/406506386.db2.gz GVTQQPOTAITLRX-QGZVFWFLSA-N 2 1 309.369 2.127 20 30 DEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)C1 ZINC000262662408 225280185 /nfs/dbraw/zinc/28/01/85/225280185.db2.gz NHSBKZPFRUJBGP-HNNXBMFYSA-N 2 1 300.450 2.310 20 30 DEEDMP COc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+]2CCCCC2)cc1 ZINC000262683669 225281415 /nfs/dbraw/zinc/28/14/15/225281415.db2.gz XKNXHTNWQQMTDV-QGZVFWFLSA-N 2 1 316.449 2.113 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328260209 1148756332 /nfs/dbraw/zinc/75/63/32/1148756332.db2.gz RUKIPJARYYJYBU-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655765142 425648083 /nfs/dbraw/zinc/64/80/83/425648083.db2.gz ZLYVSRJVMFSXNC-SZMVWBNQSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662682177 425712921 /nfs/dbraw/zinc/71/29/21/425712921.db2.gz HPPZTJSCXNVUBC-AEFFLSMTSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088984832 782100848 /nfs/dbraw/zinc/10/08/48/782100848.db2.gz XAZUEGVEVUREKF-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088984832 782100850 /nfs/dbraw/zinc/10/08/50/782100850.db2.gz XAZUEGVEVUREKF-ZBFHGGJFSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001329939506 1149020018 /nfs/dbraw/zinc/02/00/18/1149020018.db2.gz UCPRSZUIQHFDIY-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1Cl ZINC000262427139 533988649 /nfs/dbraw/zinc/98/86/49/533988649.db2.gz CXLJSCWPJPEIJP-UHFFFAOYSA-N 2 1 308.813 2.337 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1Cl ZINC000262427139 533988660 /nfs/dbraw/zinc/98/86/60/533988660.db2.gz CXLJSCWPJPEIJP-UHFFFAOYSA-N 2 1 308.813 2.337 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001401707380 1162085433 /nfs/dbraw/zinc/08/54/33/1162085433.db2.gz ZXCKXXCWLORFHC-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001401832095 1162148258 /nfs/dbraw/zinc/14/82/58/1162148258.db2.gz USPAOCSCFUQWMM-LSDHHAIUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001378889054 1152480115 /nfs/dbraw/zinc/48/01/15/1152480115.db2.gz BXNRLJNAPLQYHH-BIQWYFBQSA-N 2 1 313.873 2.096 20 30 DEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267433930 528942055 /nfs/dbraw/zinc/94/20/55/528942055.db2.gz NJJJQKLNNHMDAF-UHFFFAOYSA-N 2 1 300.406 2.336 20 30 DEEDMP CCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267433930 528942059 /nfs/dbraw/zinc/94/20/59/528942059.db2.gz NJJJQKLNNHMDAF-UHFFFAOYSA-N 2 1 300.406 2.336 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123950 529100316 /nfs/dbraw/zinc/10/03/16/529100316.db2.gz MIAUENJAJRMVRT-KGLIPLIRSA-N 2 1 318.490 2.265 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090636 529349986 /nfs/dbraw/zinc/34/99/86/529349986.db2.gz KVYYNEDHVRDJLU-WBVHZDCISA-N 2 1 302.466 2.254 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001368812446 1148682111 /nfs/dbraw/zinc/68/21/11/1148682111.db2.gz XVQCAGATZLQHTD-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294575 625328945 /nfs/dbraw/zinc/32/89/45/625328945.db2.gz KXLPSJPZLPOLIU-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294575 625328947 /nfs/dbraw/zinc/32/89/47/625328947.db2.gz KXLPSJPZLPOLIU-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947684974 625439457 /nfs/dbraw/zinc/43/94/57/625439457.db2.gz KNWYJWONILLIJM-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514405 625493802 /nfs/dbraw/zinc/49/38/02/625493802.db2.gz AZXJQAMPGWLZSZ-HUUCEWRRSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156186 622594859 /nfs/dbraw/zinc/59/48/59/622594859.db2.gz LVLDEYGKHCJVHB-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156186 622594863 /nfs/dbraw/zinc/59/48/63/622594863.db2.gz LVLDEYGKHCJVHB-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602199 625624873 /nfs/dbraw/zinc/62/48/73/625624873.db2.gz ZFZVLHVBJGUNJG-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971828865 624619531 /nfs/dbraw/zinc/61/95/31/624619531.db2.gz OKCKBAPRFMUPLN-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828865 624619532 /nfs/dbraw/zinc/61/95/32/624619532.db2.gz OKCKBAPRFMUPLN-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828865 624619533 /nfs/dbraw/zinc/61/95/33/624619533.db2.gz OKCKBAPRFMUPLN-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506897 624927909 /nfs/dbraw/zinc/92/79/09/624927909.db2.gz UDJIOKRTTQGBJY-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023372424 625242533 /nfs/dbraw/zinc/24/25/33/625242533.db2.gz SJEIHQGEYOAXGK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023372424 625242536 /nfs/dbraw/zinc/24/25/36/625242536.db2.gz SJEIHQGEYOAXGK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023372424 625242538 /nfs/dbraw/zinc/24/25/38/625242538.db2.gz SJEIHQGEYOAXGK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027693685 634448022 /nfs/dbraw/zinc/44/80/22/634448022.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027693685 634448024 /nfs/dbraw/zinc/44/80/24/634448024.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027693685 634448026 /nfs/dbraw/zinc/44/80/26/634448026.db2.gz GKEUVCPEZVKOBZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649488 633208497 /nfs/dbraw/zinc/20/84/97/633208497.db2.gz GVVKJKSLMIXKTJ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649488 633208500 /nfs/dbraw/zinc/20/85/00/633208500.db2.gz GVVKJKSLMIXKTJ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649488 633208506 /nfs/dbraw/zinc/20/85/06/633208506.db2.gz GVVKJKSLMIXKTJ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974654076 633212058 /nfs/dbraw/zinc/21/20/58/633212058.db2.gz GZBZYXPMLFIIGF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654076 633212063 /nfs/dbraw/zinc/21/20/63/633212063.db2.gz GZBZYXPMLFIIGF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654076 633212066 /nfs/dbraw/zinc/21/20/66/633212066.db2.gz GZBZYXPMLFIIGF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1(C)C ZINC000996507591 633269404 /nfs/dbraw/zinc/26/94/04/633269404.db2.gz QFKXUMCZNDGXGV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000996901884 633518194 /nfs/dbraw/zinc/51/81/94/633518194.db2.gz BPANRELUUXOTER-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997126895 633613221 /nfs/dbraw/zinc/61/32/21/633613221.db2.gz GHLOSZJHPIVIET-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001027433188 633775811 /nfs/dbraw/zinc/77/58/11/633775811.db2.gz UOGQPMKOGMXWMH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433188 633775814 /nfs/dbraw/zinc/77/58/14/633775814.db2.gz UOGQPMKOGMXWMH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001027433188 633775820 /nfs/dbraw/zinc/77/58/20/633775820.db2.gz UOGQPMKOGMXWMH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939286 634039104 /nfs/dbraw/zinc/03/91/04/634039104.db2.gz GOXZSBBTPSFUNX-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939286 634039109 /nfs/dbraw/zinc/03/91/09/634039109.db2.gz GOXZSBBTPSFUNX-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977638377 634087609 /nfs/dbraw/zinc/08/76/09/634087609.db2.gz ITPNIICFXQHJAS-KRWDZBQOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980186464 634884131 /nfs/dbraw/zinc/88/41/31/634884131.db2.gz DGWRRGQPQIVYEG-OKZBNKHCSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001027944338 635031403 /nfs/dbraw/zinc/03/14/03/635031403.db2.gz VMEWECWUXVIWFV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000779583 635308645 /nfs/dbraw/zinc/30/86/45/635308645.db2.gz YLWCEAAXKGEOCE-SFHVURJKSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000779580 635309105 /nfs/dbraw/zinc/30/91/05/635309105.db2.gz YLWCEAAXKGEOCE-GOSISDBHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000841064 635310604 /nfs/dbraw/zinc/31/06/04/635310604.db2.gz KFUXZYDSMDGJTQ-UHFFFAOYSA-N 2 1 317.477 2.187 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000873914 635323444 /nfs/dbraw/zinc/32/34/44/635323444.db2.gz BZRMEBDTSNJGMB-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332260 635438873 /nfs/dbraw/zinc/43/88/73/635438873.db2.gz UTNSGNHNTKGLRV-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332260 635438879 /nfs/dbraw/zinc/43/88/79/635438879.db2.gz UTNSGNHNTKGLRV-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332260 635438881 /nfs/dbraw/zinc/43/88/81/635438881.db2.gz UTNSGNHNTKGLRV-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332260 635438886 /nfs/dbraw/zinc/43/88/86/635438886.db2.gz UTNSGNHNTKGLRV-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245100 635440258 /nfs/dbraw/zinc/44/02/58/635440258.db2.gz MCHIRNUNQMXOCB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001245100 635440262 /nfs/dbraw/zinc/44/02/62/635440262.db2.gz MCHIRNUNQMXOCB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001245100 635440266 /nfs/dbraw/zinc/44/02/66/635440266.db2.gz MCHIRNUNQMXOCB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981369152 635455947 /nfs/dbraw/zinc/45/59/47/635455947.db2.gz DEVZZOKDOSDOIM-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000981369152 635455950 /nfs/dbraw/zinc/45/59/50/635455950.db2.gz DEVZZOKDOSDOIM-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000981369152 635455953 /nfs/dbraw/zinc/45/59/53/635455953.db2.gz DEVZZOKDOSDOIM-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367763 635479322 /nfs/dbraw/zinc/47/93/22/635479322.db2.gz COFSJJJCNXOYGB-QZTJIDSGSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479018 635516253 /nfs/dbraw/zinc/51/62/53/635516253.db2.gz IJHLSVBWYSHASH-MRXNPFEDSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001923967 635577675 /nfs/dbraw/zinc/57/76/75/635577675.db2.gz JKRZEDZCYKMZGE-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922752 635577803 /nfs/dbraw/zinc/57/78/03/635577803.db2.gz AJQXGBVNHFKGKF-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812660 635666852 /nfs/dbraw/zinc/66/68/52/635666852.db2.gz SBWSPXYLRJPOSK-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981825837 635672554 /nfs/dbraw/zinc/67/25/54/635672554.db2.gz QITHMLGOIVDBES-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001002956696 635860106 /nfs/dbraw/zinc/86/01/06/635860106.db2.gz ZVEDIFBWUBYRPL-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001002956696 635860109 /nfs/dbraw/zinc/86/01/09/635860109.db2.gz ZVEDIFBWUBYRPL-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163804 635890145 /nfs/dbraw/zinc/89/01/45/635890145.db2.gz SWOSPDYVIDUGLY-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028335096 636135941 /nfs/dbraw/zinc/13/59/41/636135941.db2.gz NQNLGRXBTGEGHL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335096 636135944 /nfs/dbraw/zinc/13/59/44/636135944.db2.gz NQNLGRXBTGEGHL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335096 636135946 /nfs/dbraw/zinc/13/59/46/636135946.db2.gz NQNLGRXBTGEGHL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982558050 636265270 /nfs/dbraw/zinc/26/52/70/636265270.db2.gz YDBGVMUJKZZHTD-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537249 636329701 /nfs/dbraw/zinc/32/97/01/636329701.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537249 636329704 /nfs/dbraw/zinc/32/97/04/636329704.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537249 636329706 /nfs/dbraw/zinc/32/97/06/636329706.db2.gz KOXMBPNIQGPCOC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004375752 636403760 /nfs/dbraw/zinc/40/37/60/636403760.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004375752 636403762 /nfs/dbraw/zinc/40/37/62/636403762.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004375752 636403766 /nfs/dbraw/zinc/40/37/66/636403766.db2.gz SKGWIZZQONCFIF-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005645815 636804908 /nfs/dbraw/zinc/80/49/08/636804908.db2.gz WNCRHHMQUVPCBV-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919364 636853808 /nfs/dbraw/zinc/85/38/08/636853808.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919364 636853811 /nfs/dbraw/zinc/85/38/11/636853811.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919364 636853813 /nfs/dbraw/zinc/85/38/13/636853813.db2.gz UOOHWMZEERBNAF-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003024 636944426 /nfs/dbraw/zinc/94/44/26/636944426.db2.gz GYVOYWVMZHAWCH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[NH+](C)C ZINC000895296583 637901030 /nfs/dbraw/zinc/90/10/30/637901030.db2.gz PQBXGBJWTOXAOE-CQSZACIVSA-N 2 1 311.433 2.389 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985429274 639395114 /nfs/dbraw/zinc/39/51/14/639395114.db2.gz NZEBDBFJVMOSSI-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985429274 639395122 /nfs/dbraw/zinc/39/51/22/639395122.db2.gz NZEBDBFJVMOSSI-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985429274 639395126 /nfs/dbraw/zinc/39/51/26/639395126.db2.gz NZEBDBFJVMOSSI-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000986956117 640024200 /nfs/dbraw/zinc/02/42/00/640024200.db2.gz JUEYZZHTDUFHEG-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411823 640539882 /nfs/dbraw/zinc/53/98/82/640539882.db2.gz CGFASUZQPZSCLY-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411823 640539886 /nfs/dbraw/zinc/53/98/86/640539886.db2.gz CGFASUZQPZSCLY-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411823 640539891 /nfs/dbraw/zinc/53/98/91/640539891.db2.gz CGFASUZQPZSCLY-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000763411823 640539897 /nfs/dbraw/zinc/53/98/97/640539897.db2.gz CGFASUZQPZSCLY-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000327956081 640883152 /nfs/dbraw/zinc/88/31/52/640883152.db2.gz BHOYVWTUYMDDRX-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000327956081 640883154 /nfs/dbraw/zinc/88/31/54/640883154.db2.gz BHOYVWTUYMDDRX-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900473210 642377551 /nfs/dbraw/zinc/37/75/51/642377551.db2.gz CICXREJOZMAHSB-UHFFFAOYSA-N 2 1 324.428 2.072 20 30 DEEDMP C=CCCC[N@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000902669295 643109297 /nfs/dbraw/zinc/10/92/97/643109297.db2.gz JWGKNLKWVVOUDU-QGZVFWFLSA-N 2 1 307.438 2.149 20 30 DEEDMP C[C@]1(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCC[NH2+]C1 ZINC000904388392 643650598 /nfs/dbraw/zinc/65/05/98/643650598.db2.gz ILFDWZNLOXFZDV-AEFFLSMTSA-N 2 1 313.449 2.219 20 30 DEEDMP CC#CCN1CC[C@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@@H]12 ZINC000991380900 646040791 /nfs/dbraw/zinc/04/07/91/646040791.db2.gz AOICXLKDKUAWSZ-IEBWSBKVSA-N 2 1 322.412 2.313 20 30 DEEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809573033 646239890 /nfs/dbraw/zinc/23/98/90/646239890.db2.gz BZTNAEKFSWZXLQ-GOSISDBHSA-N 2 1 301.434 2.105 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991621242 646548600 /nfs/dbraw/zinc/54/86/00/646548600.db2.gz HJCFKMLALZHUHP-PKOBYXMFSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948760330 646610783 /nfs/dbraw/zinc/61/07/83/646610783.db2.gz ZAPHEDNZCZLZDY-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948760330 646610785 /nfs/dbraw/zinc/61/07/85/646610785.db2.gz ZAPHEDNZCZLZDY-QGZVFWFLSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC000992446232 647012628 /nfs/dbraw/zinc/01/26/28/647012628.db2.gz MEMJMEIDCXPUID-FUHWJXTLSA-N 2 1 316.449 2.340 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000815651747 647038158 /nfs/dbraw/zinc/03/81/58/647038158.db2.gz CAUDSDVBIDTFFR-KRWDZBQOSA-N 2 1 302.418 2.469 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000815651747 647038165 /nfs/dbraw/zinc/03/81/65/647038165.db2.gz CAUDSDVBIDTFFR-KRWDZBQOSA-N 2 1 302.418 2.469 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993487089 647685358 /nfs/dbraw/zinc/68/53/58/647685358.db2.gz FHQNCIILCWRWGH-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805988 647747416 /nfs/dbraw/zinc/74/74/16/647747416.db2.gz NXQMILFXXUDXDL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805988 647747417 /nfs/dbraw/zinc/74/74/17/647747417.db2.gz NXQMILFXXUDXDL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805988 647747421 /nfs/dbraw/zinc/74/74/21/647747421.db2.gz NXQMILFXXUDXDL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994119863 647789357 /nfs/dbraw/zinc/78/93/57/647789357.db2.gz GGCSUYOLVHAEDX-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714387 647885704 /nfs/dbraw/zinc/88/57/04/647885704.db2.gz YFRVXEHKEPORQU-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC)CC1(C)C ZINC000940807402 648945898 /nfs/dbraw/zinc/94/58/98/648945898.db2.gz NRNYWCFUQYFXMF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCC)CC1(C)C ZINC000940807402 648945900 /nfs/dbraw/zinc/94/59/00/648945900.db2.gz NRNYWCFUQYFXMF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)CC1(C)C ZINC000940807402 648945903 /nfs/dbraw/zinc/94/59/03/648945903.db2.gz NRNYWCFUQYFXMF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC)CC1(C)C ZINC000940807402 648945906 /nfs/dbraw/zinc/94/59/06/648945906.db2.gz NRNYWCFUQYFXMF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221357 649024524 /nfs/dbraw/zinc/02/45/24/649024524.db2.gz RPBSPSXHAAPEQX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948426451 649193294 /nfs/dbraw/zinc/19/32/94/649193294.db2.gz YERTXDKURFBRKS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948426451 649193296 /nfs/dbraw/zinc/19/32/96/649193296.db2.gz YERTXDKURFBRKS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948426451 649193297 /nfs/dbraw/zinc/19/32/97/649193297.db2.gz YERTXDKURFBRKS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582076 649253705 /nfs/dbraw/zinc/25/37/05/649253705.db2.gz ROXXCCVDEHITSN-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988989 651572948 /nfs/dbraw/zinc/57/29/48/651572948.db2.gz RHNNMXJRZWWCAB-CQSZACIVSA-N 2 1 319.840 2.310 20 30 DEEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304742577 685258825 /nfs/dbraw/zinc/25/88/25/685258825.db2.gz CQAONGAWROEWPU-HOTGVXAUSA-N 2 1 312.502 2.074 20 30 DEEDMP CCC(CC)c1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)on1 ZINC000304804850 685261803 /nfs/dbraw/zinc/26/18/03/685261803.db2.gz QUVNLIGKAGNZEE-CQSZACIVSA-N 2 1 321.469 2.467 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133625 693858221 /nfs/dbraw/zinc/85/82/21/693858221.db2.gz HJAPJJKROILPGD-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133625 693858226 /nfs/dbraw/zinc/85/82/26/693858226.db2.gz HJAPJJKROILPGD-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133625 693858230 /nfs/dbraw/zinc/85/82/30/693858230.db2.gz HJAPJJKROILPGD-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227126 693891614 /nfs/dbraw/zinc/89/16/14/693891614.db2.gz DTGDTKDKWYUESX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227126 693891619 /nfs/dbraw/zinc/89/16/19/693891619.db2.gz DTGDTKDKWYUESX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227126 693891625 /nfs/dbraw/zinc/89/16/25/693891625.db2.gz DTGDTKDKWYUESX-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241216 693895565 /nfs/dbraw/zinc/89/55/65/693895565.db2.gz NHHKAXNNQBAYJE-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241216 693895569 /nfs/dbraw/zinc/89/55/69/693895569.db2.gz NHHKAXNNQBAYJE-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCSCC1)c1ccccc1 ZINC000303787156 685235510 /nfs/dbraw/zinc/23/55/10/685235510.db2.gz SEUKQFIHHBWEHR-MRXNPFEDSA-N 2 1 320.506 2.433 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N1CCSCC1)C(C)C ZINC000303897912 685239289 /nfs/dbraw/zinc/23/92/89/685239289.db2.gz QUWNPNQGOSBTBB-HNNXBMFYSA-N 2 1 310.511 2.049 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000303908630 685239762 /nfs/dbraw/zinc/23/97/62/685239762.db2.gz XRUGFBLLYNIYMZ-MRXNPFEDSA-N 2 1 314.477 2.481 20 30 DEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303985558 685242460 /nfs/dbraw/zinc/24/24/60/685242460.db2.gz SZYPUXVVAFQRDI-CYBMUJFWSA-N 2 1 320.437 2.305 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651651 687674636 /nfs/dbraw/zinc/67/46/36/687674636.db2.gz JRRLNSQDVDUKSP-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985945 687749617 /nfs/dbraw/zinc/74/96/17/687749617.db2.gz NDQORFFLEMPQRX-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987650 687750338 /nfs/dbraw/zinc/75/03/38/687750338.db2.gz YFESGQZNOQDYSQ-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000867967233 687854099 /nfs/dbraw/zinc/85/40/99/687854099.db2.gz ZOUXYNUSDLYRHE-GOSISDBHSA-N 2 1 320.396 2.103 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550292 687910835 /nfs/dbraw/zinc/91/08/35/687910835.db2.gz WWIKHUDPNRARGQ-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550292 687910838 /nfs/dbraw/zinc/91/08/38/687910838.db2.gz WWIKHUDPNRARGQ-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550292 687910842 /nfs/dbraw/zinc/91/08/42/687910842.db2.gz WWIKHUDPNRARGQ-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017705776 687942426 /nfs/dbraw/zinc/94/24/26/687942426.db2.gz GIXADUNNMFYDTE-CALCHBBNSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156647 688475814 /nfs/dbraw/zinc/47/58/14/688475814.db2.gz VBBVKGYTHBPEDT-ULQDDVLXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730564 688986799 /nfs/dbraw/zinc/98/67/99/688986799.db2.gz REYNVZJBCYDROZ-SFHVURJKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001032433219 689149290 /nfs/dbraw/zinc/14/92/90/689149290.db2.gz LVZALCFDHUEGNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001032433219 689149293 /nfs/dbraw/zinc/14/92/93/689149293.db2.gz LVZALCFDHUEGNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001032433219 689149294 /nfs/dbraw/zinc/14/92/94/689149294.db2.gz LVZALCFDHUEGNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC(C)(C)CCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000873151982 689171638 /nfs/dbraw/zinc/17/16/38/689171638.db2.gz UOLLQICRYFXICS-UHFFFAOYSA-N 2 1 317.481 2.310 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800237 689263706 /nfs/dbraw/zinc/26/37/06/689263706.db2.gz BZLLGKPGPIHVIA-IRXDYDNUSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359457 689475821 /nfs/dbraw/zinc/47/58/21/689475821.db2.gz ZOVCXHXPOZVRHJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359457 689475826 /nfs/dbraw/zinc/47/58/26/689475826.db2.gz ZOVCXHXPOZVRHJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359457 689475829 /nfs/dbraw/zinc/47/58/29/689475829.db2.gz ZOVCXHXPOZVRHJ-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585850 689552527 /nfs/dbraw/zinc/55/25/27/689552527.db2.gz ODKMLKAQMJSKDB-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585850 689552528 /nfs/dbraw/zinc/55/25/28/689552528.db2.gz ODKMLKAQMJSKDB-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699610 689588422 /nfs/dbraw/zinc/58/84/22/689588422.db2.gz ONNIHTNSCVRUPY-HNNXBMFYSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835583 689632014 /nfs/dbraw/zinc/63/20/14/689632014.db2.gz ZYJMHEWEGSDEHE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033835583 689632018 /nfs/dbraw/zinc/63/20/18/689632018.db2.gz ZYJMHEWEGSDEHE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033835583 689632020 /nfs/dbraw/zinc/63/20/20/689632020.db2.gz ZYJMHEWEGSDEHE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897629 689654338 /nfs/dbraw/zinc/65/43/38/689654338.db2.gz MSZBLRVCHVGQGF-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932918 689666408 /nfs/dbraw/zinc/66/64/08/689666408.db2.gz UMJXRGAPKGFYCY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932918 689666409 /nfs/dbraw/zinc/66/64/09/689666409.db2.gz UMJXRGAPKGFYCY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932918 689666410 /nfs/dbraw/zinc/66/64/10/689666410.db2.gz UMJXRGAPKGFYCY-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214179 689765297 /nfs/dbraw/zinc/76/52/97/689765297.db2.gz IDUVAJTYICYNJY-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214179 689765302 /nfs/dbraw/zinc/76/53/02/689765302.db2.gz IDUVAJTYICYNJY-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214179 689765305 /nfs/dbraw/zinc/76/53/05/689765305.db2.gz IDUVAJTYICYNJY-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214179 689765309 /nfs/dbraw/zinc/76/53/09/689765309.db2.gz IDUVAJTYICYNJY-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724860 689916955 /nfs/dbraw/zinc/91/69/55/689916955.db2.gz ARBIPFFIXPZVEI-VNHYZAJKSA-N 2 1 315.889 2.331 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000876876702 689961443 /nfs/dbraw/zinc/96/14/43/689961443.db2.gz IWDXPMCSBSRGGK-AWEZNQCLSA-N 2 1 301.862 2.179 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202499 690058868 /nfs/dbraw/zinc/05/88/68/690058868.db2.gz WARYPXGSRONCNO-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035226202 690065467 /nfs/dbraw/zinc/06/54/67/690065467.db2.gz DVJDSYUFJWJUSI-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035226202 690065469 /nfs/dbraw/zinc/06/54/69/690065469.db2.gz DVJDSYUFJWJUSI-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035226202 690065471 /nfs/dbraw/zinc/06/54/71/690065471.db2.gz DVJDSYUFJWJUSI-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035798910 690178730 /nfs/dbraw/zinc/17/87/30/690178730.db2.gz RUPXWVULBBFHRJ-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036184560 690284405 /nfs/dbraw/zinc/28/44/05/690284405.db2.gz YSRUXKMKKKUWHX-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716531 690443601 /nfs/dbraw/zinc/44/36/01/690443601.db2.gz HLEIMENLWLUHAZ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763182 690464137 /nfs/dbraw/zinc/46/41/37/690464137.db2.gz WPKLRWXNAZWZIW-WMZOPIPTSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896811 690519624 /nfs/dbraw/zinc/51/96/24/690519624.db2.gz UTXZJRGSQGEGFD-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896811 690519626 /nfs/dbraw/zinc/51/96/26/690519626.db2.gz UTXZJRGSQGEGFD-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262508 690854422 /nfs/dbraw/zinc/85/44/22/690854422.db2.gz NEZGSCJMTSOFSW-DNVCBOLYSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038624902 690878626 /nfs/dbraw/zinc/87/86/26/690878626.db2.gz OWZSKTVQRGWZBF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038624902 690878628 /nfs/dbraw/zinc/87/86/28/690878628.db2.gz OWZSKTVQRGWZBF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038624902 690878630 /nfs/dbraw/zinc/87/86/30/690878630.db2.gz OWZSKTVQRGWZBF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039046705 691002249 /nfs/dbraw/zinc/00/22/49/691002249.db2.gz AYICZAUMRANIHB-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039046705 691002252 /nfs/dbraw/zinc/00/22/52/691002252.db2.gz AYICZAUMRANIHB-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163417 691036946 /nfs/dbraw/zinc/03/69/46/691036946.db2.gz CPMQTBTVJZDCAG-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163417 691036949 /nfs/dbraw/zinc/03/69/49/691036949.db2.gz CPMQTBTVJZDCAG-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163417 691036953 /nfs/dbraw/zinc/03/69/53/691036953.db2.gz CPMQTBTVJZDCAG-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386358 691094626 /nfs/dbraw/zinc/09/46/26/691094626.db2.gz LBLMPDIBSLKFDM-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390202 691095329 /nfs/dbraw/zinc/09/53/29/691095329.db2.gz ZZVLAMWUBZYZSS-IKGGRYGDSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001039435459 691105648 /nfs/dbraw/zinc/10/56/48/691105648.db2.gz MFHSERGYHHNQCY-QLFBSQMISA-N 2 1 314.433 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040527112 691262066 /nfs/dbraw/zinc/26/20/66/691262066.db2.gz FSTGPRHGIWNCKH-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040527112 691262070 /nfs/dbraw/zinc/26/20/70/691262070.db2.gz FSTGPRHGIWNCKH-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040527112 691262074 /nfs/dbraw/zinc/26/20/74/691262074.db2.gz FSTGPRHGIWNCKH-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040946919 691299650 /nfs/dbraw/zinc/29/96/50/691299650.db2.gz KBXSFFWQJWPGJV-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445376 691376791 /nfs/dbraw/zinc/37/67/91/691376791.db2.gz KHXFBGJTOBANGJ-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288892 691559358 /nfs/dbraw/zinc/55/93/58/691559358.db2.gz WIZWOEZZGPJEKH-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042369419 691583764 /nfs/dbraw/zinc/58/37/64/691583764.db2.gz XTXSTBWXEPANFS-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001042920688 691660274 /nfs/dbraw/zinc/66/02/74/691660274.db2.gz DUGBFRLEGUXFSC-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741685 691880689 /nfs/dbraw/zinc/88/06/89/691880689.db2.gz CMLWAZOLJQSUKR-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046314730 692149174 /nfs/dbraw/zinc/14/91/74/692149174.db2.gz NUBDDBHLTNYCQQ-GOSISDBHSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886672741 692155582 /nfs/dbraw/zinc/15/55/82/692155582.db2.gz UNFFMESNGDVQAL-UHFFFAOYSA-N 2 1 316.449 2.407 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561670 692223891 /nfs/dbraw/zinc/22/38/91/692223891.db2.gz JAOBVZDQFAIFNJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561670 692223893 /nfs/dbraw/zinc/22/38/93/692223893.db2.gz JAOBVZDQFAIFNJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561670 692223897 /nfs/dbraw/zinc/22/38/97/692223897.db2.gz JAOBVZDQFAIFNJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939933 692728508 /nfs/dbraw/zinc/72/85/08/692728508.db2.gz YYEATXYAWPXNPH-CALCHBBNSA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146932 692774275 /nfs/dbraw/zinc/77/42/75/692774275.db2.gz MJMHYERDHFYHGU-HDICACEKSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482254 692896584 /nfs/dbraw/zinc/89/65/84/692896584.db2.gz LMYPYNVWFDTQRV-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482254 692896590 /nfs/dbraw/zinc/89/65/90/692896590.db2.gz LMYPYNVWFDTQRV-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482254 692896595 /nfs/dbraw/zinc/89/65/95/692896595.db2.gz LMYPYNVWFDTQRV-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595040 692935567 /nfs/dbraw/zinc/93/55/67/692935567.db2.gz RJANZZREHNCGPR-QZTJIDSGSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724867 692976531 /nfs/dbraw/zinc/97/65/31/692976531.db2.gz UGBMZRPPGWZTLW-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724867 692976535 /nfs/dbraw/zinc/97/65/35/692976535.db2.gz UGBMZRPPGWZTLW-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724867 692976537 /nfs/dbraw/zinc/97/65/37/692976537.db2.gz UGBMZRPPGWZTLW-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919240 693047241 /nfs/dbraw/zinc/04/72/41/693047241.db2.gz OFXJAUUMUUFSLA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919240 693047243 /nfs/dbraw/zinc/04/72/43/693047243.db2.gz OFXJAUUMUUFSLA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919240 693047245 /nfs/dbraw/zinc/04/72/45/693047245.db2.gz OFXJAUUMUUFSLA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052391614 693522356 /nfs/dbraw/zinc/52/23/56/693522356.db2.gz QQFOHBXIIKCTFZ-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052391614 693522359 /nfs/dbraw/zinc/52/23/59/693522359.db2.gz QQFOHBXIIKCTFZ-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052391614 693522363 /nfs/dbraw/zinc/52/23/63/693522363.db2.gz QQFOHBXIIKCTFZ-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425940 693531801 /nfs/dbraw/zinc/53/18/01/693531801.db2.gz HQQXFGGEJJQSHF-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425940 693531799 /nfs/dbraw/zinc/53/17/99/693531799.db2.gz HQQXFGGEJJQSHF-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425940 693531802 /nfs/dbraw/zinc/53/18/02/693531802.db2.gz HQQXFGGEJJQSHF-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590748 693573643 /nfs/dbraw/zinc/57/36/43/693573643.db2.gz FZYDAGGYPOFXLO-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052866016 693636891 /nfs/dbraw/zinc/63/68/91/693636891.db2.gz UDFDZTCVHWZCSC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052866016 693636892 /nfs/dbraw/zinc/63/68/92/693636892.db2.gz UDFDZTCVHWZCSC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052866016 693636894 /nfs/dbraw/zinc/63/68/94/693636894.db2.gz UDFDZTCVHWZCSC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107165 782192870 /nfs/dbraw/zinc/19/28/70/782192870.db2.gz WKHOVNAWANTUSX-CVEARBPZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001402384603 1162339523 /nfs/dbraw/zinc/33/95/23/1162339523.db2.gz UPHUULNUAFHRCB-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001381736206 1153199722 /nfs/dbraw/zinc/19/97/22/1153199722.db2.gz YFUCAYKGDQJEEK-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001393787031 1157979381 /nfs/dbraw/zinc/97/93/81/1157979381.db2.gz LODTXAQDLLZRNO-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001393787031 1157979396 /nfs/dbraw/zinc/97/93/96/1157979396.db2.gz LODTXAQDLLZRNO-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001393787031 1157979409 /nfs/dbraw/zinc/97/94/09/1157979409.db2.gz LODTXAQDLLZRNO-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001393787031 1157979417 /nfs/dbraw/zinc/97/94/17/1157979417.db2.gz LODTXAQDLLZRNO-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001393788899 1157983514 /nfs/dbraw/zinc/98/35/14/1157983514.db2.gz QDTLPYVAVDXGFE-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001393788899 1157983525 /nfs/dbraw/zinc/98/35/25/1157983525.db2.gz QDTLPYVAVDXGFE-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001393788899 1157983538 /nfs/dbraw/zinc/98/35/38/1157983538.db2.gz QDTLPYVAVDXGFE-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001393788899 1157983547 /nfs/dbraw/zinc/98/35/47/1157983547.db2.gz QDTLPYVAVDXGFE-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001397197439 1160048365 /nfs/dbraw/zinc/04/83/65/1160048365.db2.gz VUYOKDWRUOKLHV-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001397197439 1160048376 /nfs/dbraw/zinc/04/83/76/1160048376.db2.gz VUYOKDWRUOKLHV-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001397197439 1160048386 /nfs/dbraw/zinc/04/83/86/1160048386.db2.gz VUYOKDWRUOKLHV-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001397197439 1160048396 /nfs/dbraw/zinc/04/83/96/1160048396.db2.gz VUYOKDWRUOKLHV-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001377510733 1160438974 /nfs/dbraw/zinc/43/89/74/1160438974.db2.gz OCCJKYWCABMXRC-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001377510733 1160438985 /nfs/dbraw/zinc/43/89/85/1160438985.db2.gz OCCJKYWCABMXRC-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001377510733 1160438990 /nfs/dbraw/zinc/43/89/90/1160438990.db2.gz OCCJKYWCABMXRC-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001377510733 1160438997 /nfs/dbraw/zinc/43/89/97/1160438997.db2.gz OCCJKYWCABMXRC-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001400170307 1161675531 /nfs/dbraw/zinc/67/55/31/1161675531.db2.gz USXUISWUYMQEPE-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400170307 1161675532 /nfs/dbraw/zinc/67/55/32/1161675532.db2.gz USXUISWUYMQEPE-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400170307 1161675533 /nfs/dbraw/zinc/67/55/33/1161675533.db2.gz USXUISWUYMQEPE-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001407126520 1164994254 /nfs/dbraw/zinc/99/42/54/1164994254.db2.gz LWCXVPPTEYPGPB-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001407126520 1164994245 /nfs/dbraw/zinc/99/42/45/1164994245.db2.gz LWCXVPPTEYPGPB-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418139943 1167434852 /nfs/dbraw/zinc/43/48/52/1167434852.db2.gz UEQMAYWCSVMURH-LSDHHAIUSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418139943 1167434855 /nfs/dbraw/zinc/43/48/55/1167434855.db2.gz UEQMAYWCSVMURH-LSDHHAIUSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418139942 1167435186 /nfs/dbraw/zinc/43/51/86/1167435186.db2.gz UEQMAYWCSVMURH-HUUCEWRRSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001418139942 1167435188 /nfs/dbraw/zinc/43/51/88/1167435188.db2.gz UEQMAYWCSVMURH-HUUCEWRRSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001419330402 1168405949 /nfs/dbraw/zinc/40/59/49/1168405949.db2.gz BMVVCXOJQJOGBX-OAHLLOKOSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001419330402 1168405953 /nfs/dbraw/zinc/40/59/53/1168405953.db2.gz BMVVCXOJQJOGBX-OAHLLOKOSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001419330402 1168405956 /nfs/dbraw/zinc/40/59/56/1168405956.db2.gz BMVVCXOJQJOGBX-OAHLLOKOSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001419828265 1168863540 /nfs/dbraw/zinc/86/35/40/1168863540.db2.gz UDJIJDMWJDKBHG-UKRRQHHQSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001421886266 1172089768 /nfs/dbraw/zinc/08/97/68/1172089768.db2.gz GNGIUPBKACQMEA-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013474 1173015825 /nfs/dbraw/zinc/01/58/25/1173015825.db2.gz ZEMLXFYFOOGZQY-CABCVRRESA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001423531390 1173390997 /nfs/dbraw/zinc/39/09/97/1173390997.db2.gz AQZNDGUPIQVJRP-HNNXBMFYSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001438422449 1180409787 /nfs/dbraw/zinc/40/97/87/1180409787.db2.gz SMRRZKCTUCYUML-INIZCTEOSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438730883 1180800101 /nfs/dbraw/zinc/80/01/01/1180800101.db2.gz FQBNSBAHEWQOMS-HIFRSBDPSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440523776 1181579914 /nfs/dbraw/zinc/57/99/14/1181579914.db2.gz YBAJYZGSLAYJHJ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001440523776 1181579916 /nfs/dbraw/zinc/57/99/16/1181579916.db2.gz YBAJYZGSLAYJHJ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001440840327 1181720742 /nfs/dbraw/zinc/72/07/42/1181720742.db2.gz DHGJACVLKRHPEV-QWHCGFSZSA-N 2 1 312.845 2.242 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001441761686 1182150693 /nfs/dbraw/zinc/15/06/93/1182150693.db2.gz UVWKWBXJMYXUNR-UHFFFAOYSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332206082 1149834887 /nfs/dbraw/zinc/83/48/87/1149834887.db2.gz MUFQDSHTHVRRBJ-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332206082 1149834888 /nfs/dbraw/zinc/83/48/88/1149834888.db2.gz MUFQDSHTHVRRBJ-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323228 782650461 /nfs/dbraw/zinc/65/04/61/782650461.db2.gz ZKJBULUDINGCCR-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229217 782731252 /nfs/dbraw/zinc/73/12/52/782731252.db2.gz HSDUSSNCDFQPKV-DLBZAZTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089429935 783099833 /nfs/dbraw/zinc/09/98/33/783099833.db2.gz GBHWISLUSDSHAA-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493459 783159965 /nfs/dbraw/zinc/15/99/65/783159965.db2.gz XBEFTUNHICGCHD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493459 783159970 /nfs/dbraw/zinc/15/99/70/783159970.db2.gz XBEFTUNHICGCHD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493459 783159978 /nfs/dbraw/zinc/15/99/78/783159978.db2.gz XBEFTUNHICGCHD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565437 783213785 /nfs/dbraw/zinc/21/37/85/783213785.db2.gz SAYXSWKIZWXQGE-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565437 783213789 /nfs/dbraw/zinc/21/37/89/783213789.db2.gz SAYXSWKIZWXQGE-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565437 783213792 /nfs/dbraw/zinc/21/37/92/783213792.db2.gz SAYXSWKIZWXQGE-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726285 783214411 /nfs/dbraw/zinc/21/44/11/783214411.db2.gz LPZCQKZAUNNFDV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726285 783214417 /nfs/dbraw/zinc/21/44/17/783214417.db2.gz LPZCQKZAUNNFDV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726285 783214422 /nfs/dbraw/zinc/21/44/22/783214422.db2.gz LPZCQKZAUNNFDV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100420530 776686271 /nfs/dbraw/zinc/68/62/71/776686271.db2.gz LOXCIQUOZBNCOQ-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114989852 777259099 /nfs/dbraw/zinc/25/90/99/777259099.db2.gz VYLQLVRGYCWZJD-MLHJIOFPSA-N 2 1 321.509 2.365 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114982966 778740453 /nfs/dbraw/zinc/74/04/53/778740453.db2.gz ZPCAGWJJVKHUPY-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982966 778740457 /nfs/dbraw/zinc/74/04/57/778740457.db2.gz ZPCAGWJJVKHUPY-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982966 778740461 /nfs/dbraw/zinc/74/04/61/778740461.db2.gz ZPCAGWJJVKHUPY-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696755 779413172 /nfs/dbraw/zinc/41/31/72/779413172.db2.gz LHHURRZRCDLVKU-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696755 779413174 /nfs/dbraw/zinc/41/31/74/779413174.db2.gz LHHURRZRCDLVKU-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696755 779413175 /nfs/dbraw/zinc/41/31/75/779413175.db2.gz LHHURRZRCDLVKU-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971991 779582703 /nfs/dbraw/zinc/58/27/03/779582703.db2.gz DPWZNBQYHDNVNT-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971991 779582707 /nfs/dbraw/zinc/58/27/07/779582707.db2.gz DPWZNBQYHDNVNT-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971991 779582710 /nfs/dbraw/zinc/58/27/10/779582710.db2.gz DPWZNBQYHDNVNT-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106364 779704161 /nfs/dbraw/zinc/70/41/61/779704161.db2.gz XLWXDQOIZBWMBK-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106364 779704163 /nfs/dbraw/zinc/70/41/63/779704163.db2.gz XLWXDQOIZBWMBK-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106364 779704165 /nfs/dbraw/zinc/70/41/65/779704165.db2.gz XLWXDQOIZBWMBK-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985511309 779881734 /nfs/dbraw/zinc/88/17/34/779881734.db2.gz RFWPFNUGABFNCJ-UHFFFAOYSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559106 779909490 /nfs/dbraw/zinc/90/94/90/779909490.db2.gz QLKZGLVLVYXAQI-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088653883 780690165 /nfs/dbraw/zinc/69/01/65/780690165.db2.gz MLAXYOIAORDAGO-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001089639427 783308898 /nfs/dbraw/zinc/30/88/98/783308898.db2.gz VYARCZIWPTXDAJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639427 783308908 /nfs/dbraw/zinc/30/89/08/783308908.db2.gz VYARCZIWPTXDAJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639427 783308915 /nfs/dbraw/zinc/30/89/15/783308915.db2.gz VYARCZIWPTXDAJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639427 783308924 /nfs/dbraw/zinc/30/89/24/783308924.db2.gz VYARCZIWPTXDAJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621242 783533394 /nfs/dbraw/zinc/53/33/94/783533394.db2.gz NAVHNCICGRLFPZ-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621242 783533400 /nfs/dbraw/zinc/53/34/00/783533400.db2.gz NAVHNCICGRLFPZ-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085306884 783633691 /nfs/dbraw/zinc/63/36/91/783633691.db2.gz VMYKRWAJXROMLK-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205554 783905043 /nfs/dbraw/zinc/90/50/43/783905043.db2.gz LFRSVFKDCAHSSE-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379544 784339720 /nfs/dbraw/zinc/33/97/20/784339720.db2.gz YSXUBEAQMMERIO-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379544 784339746 /nfs/dbraw/zinc/33/97/46/784339746.db2.gz YSXUBEAQMMERIO-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681597 784538152 /nfs/dbraw/zinc/53/81/52/784538152.db2.gz KJFYIVPTHISITG-YJBOKZPZSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968857082 784621209 /nfs/dbraw/zinc/62/12/09/784621209.db2.gz SLTOKWYLGGMSMK-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919977 784650882 /nfs/dbraw/zinc/65/08/82/784650882.db2.gz NCUHCPGKWITDIS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919977 784650885 /nfs/dbraw/zinc/65/08/85/784650885.db2.gz NCUHCPGKWITDIS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919977 784650889 /nfs/dbraw/zinc/65/08/89/784650889.db2.gz NCUHCPGKWITDIS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919977 784650893 /nfs/dbraw/zinc/65/08/93/784650893.db2.gz NCUHCPGKWITDIS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500167 784938103 /nfs/dbraw/zinc/93/81/03/784938103.db2.gz RAQBTQKNKWTSIP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500167 784938107 /nfs/dbraw/zinc/93/81/07/784938107.db2.gz RAQBTQKNKWTSIP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500167 784938114 /nfs/dbraw/zinc/93/81/14/784938114.db2.gz RAQBTQKNKWTSIP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166793 785402193 /nfs/dbraw/zinc/40/21/93/785402193.db2.gz HAIYPQNFWIBJKZ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166793 785402198 /nfs/dbraw/zinc/40/21/98/785402198.db2.gz HAIYPQNFWIBJKZ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112837808 786249868 /nfs/dbraw/zinc/24/98/68/786249868.db2.gz WGPSEJNBOWZHLH-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965251 786332899 /nfs/dbraw/zinc/33/28/99/786332899.db2.gz GRAUPLBHCFDBAO-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113348627 786539691 /nfs/dbraw/zinc/53/96/91/786539691.db2.gz VVGONRSSULEMHR-IRXDYDNUSA-N 2 1 309.498 2.299 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014606046 786657280 /nfs/dbraw/zinc/65/72/80/786657280.db2.gz FQNWCBZMMNLPBA-CQSZACIVSA-N 2 1 307.463 2.190 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014606046 786657282 /nfs/dbraw/zinc/65/72/82/786657282.db2.gz FQNWCBZMMNLPBA-CQSZACIVSA-N 2 1 307.463 2.190 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060037 786881051 /nfs/dbraw/zinc/88/10/51/786881051.db2.gz RMFQHMGBEQIZTM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060037 786881061 /nfs/dbraw/zinc/88/10/61/786881061.db2.gz RMFQHMGBEQIZTM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060037 786881071 /nfs/dbraw/zinc/88/10/71/786881071.db2.gz RMFQHMGBEQIZTM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304572 787206234 /nfs/dbraw/zinc/20/62/34/787206234.db2.gz UHJJSMXIXSMUEK-OIPACUDHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304572 787206239 /nfs/dbraw/zinc/20/62/39/787206239.db2.gz UHJJSMXIXSMUEK-OIPACUDHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265117 787995527 /nfs/dbraw/zinc/99/55/27/787995527.db2.gz IGDLXJJFKNTNMI-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365784 788042409 /nfs/dbraw/zinc/04/24/09/788042409.db2.gz PZGUEFSRNJQVPP-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365784 788042417 /nfs/dbraw/zinc/04/24/17/788042417.db2.gz PZGUEFSRNJQVPP-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365784 788042423 /nfs/dbraw/zinc/04/24/23/788042423.db2.gz PZGUEFSRNJQVPP-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135625969 789420667 /nfs/dbraw/zinc/42/06/67/789420667.db2.gz PFZDJWLMKWZDTA-CABCVRRESA-N 2 1 306.454 2.456 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135625971 789420742 /nfs/dbraw/zinc/42/07/42/789420742.db2.gz PFZDJWLMKWZDTA-HUUCEWRRSA-N 2 1 306.454 2.456 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626432 789421843 /nfs/dbraw/zinc/42/18/43/789421843.db2.gz SZWLLOFRHDTFHH-JKSUJKDBSA-N 2 1 318.465 2.293 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820595 789929258 /nfs/dbraw/zinc/92/92/58/789929258.db2.gz AJFKACFUPXSGQB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820595 789929261 /nfs/dbraw/zinc/92/92/61/789929261.db2.gz AJFKACFUPXSGQB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820595 789929267 /nfs/dbraw/zinc/92/92/67/789929267.db2.gz AJFKACFUPXSGQB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930574 789976943 /nfs/dbraw/zinc/97/69/43/789976943.db2.gz HCCVLSLNVYMMHO-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999242 790005377 /nfs/dbraw/zinc/00/53/77/790005377.db2.gz NUEMDLSLLMKGIE-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999242 790005383 /nfs/dbraw/zinc/00/53/83/790005383.db2.gz NUEMDLSLLMKGIE-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072085300 790045963 /nfs/dbraw/zinc/04/59/63/790045963.db2.gz QUYZAFZMVXEVFY-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072085300 790045965 /nfs/dbraw/zinc/04/59/65/790045965.db2.gz QUYZAFZMVXEVFY-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000398020069 790239757 /nfs/dbraw/zinc/23/97/57/790239757.db2.gz JMVCGXWZRRMYHW-FUHWJXTLSA-N 2 1 301.434 2.417 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCC#N ZINC000398020069 790239761 /nfs/dbraw/zinc/23/97/61/790239761.db2.gz JMVCGXWZRRMYHW-FUHWJXTLSA-N 2 1 301.434 2.417 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001148146509 791692766 /nfs/dbraw/zinc/69/27/66/791692766.db2.gz FSQUBLJCAOAYJX-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001148146509 791692769 /nfs/dbraw/zinc/69/27/69/791692769.db2.gz FSQUBLJCAOAYJX-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001148146509 791692772 /nfs/dbraw/zinc/69/27/72/791692772.db2.gz FSQUBLJCAOAYJX-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291797 791731136 /nfs/dbraw/zinc/73/11/36/791731136.db2.gz CKRVGZLGTLPRBE-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091855950 791894339 /nfs/dbraw/zinc/89/43/39/791894339.db2.gz BHBUTVCZONCRBZ-APWZRJJASA-N 2 1 324.428 2.304 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465996 792091850 /nfs/dbraw/zinc/09/18/50/792091850.db2.gz BNOOANLEDRSCDE-HZMVEIRTSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465996 792091860 /nfs/dbraw/zinc/09/18/60/792091860.db2.gz BNOOANLEDRSCDE-HZMVEIRTSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465996 792091868 /nfs/dbraw/zinc/09/18/68/792091868.db2.gz BNOOANLEDRSCDE-HZMVEIRTSA-N 2 1 307.482 2.403 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906857 792168688 /nfs/dbraw/zinc/16/86/88/792168688.db2.gz KDMPOLHVULAJOH-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906857 792168697 /nfs/dbraw/zinc/16/86/97/792168697.db2.gz KDMPOLHVULAJOH-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906857 792168702 /nfs/dbraw/zinc/16/87/02/792168702.db2.gz KDMPOLHVULAJOH-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099551892 792239490 /nfs/dbraw/zinc/23/94/90/792239490.db2.gz FRTXRIHMASDQBV-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551892 792239500 /nfs/dbraw/zinc/23/95/00/792239500.db2.gz FRTXRIHMASDQBV-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551892 792239514 /nfs/dbraw/zinc/23/95/14/792239514.db2.gz FRTXRIHMASDQBV-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100406071 792631914 /nfs/dbraw/zinc/63/19/14/792631914.db2.gz ZLGZLPHYKLXSAE-GPANFISMSA-N 2 1 316.449 2.211 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729638 792817009 /nfs/dbraw/zinc/81/70/09/792817009.db2.gz HGZMLBBITFEZEB-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161667 793054456 /nfs/dbraw/zinc/05/44/56/793054456.db2.gz OVYLXZXWQFJYJD-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820254 793207643 /nfs/dbraw/zinc/20/76/43/793207643.db2.gz CLTULIQTHGILKY-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C=CCOCc1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001172119065 793341353 /nfs/dbraw/zinc/34/13/53/793341353.db2.gz SBHICEHQCNMSSC-QDMKHBRRSA-N 2 1 316.449 2.377 20 30 DEEDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@H](C)CCCC#N)C2)C1 ZINC001172496732 793437489 /nfs/dbraw/zinc/43/74/89/793437489.db2.gz PMVFWWWMFNMBBW-QZTJIDSGSA-N 2 1 323.481 2.130 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070581 793494108 /nfs/dbraw/zinc/49/41/08/793494108.db2.gz OBVMNHYLFQULHF-YUELXQCFSA-N 2 1 315.889 2.009 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174905406 794098822 /nfs/dbraw/zinc/09/88/22/794098822.db2.gz KHCFNSHTLMPGNB-ULQDDVLXSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808010 794487313 /nfs/dbraw/zinc/48/73/13/794487313.db2.gz SCILDIXLRKSMHW-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808010 794487317 /nfs/dbraw/zinc/48/73/17/794487317.db2.gz SCILDIXLRKSMHW-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115122801 794683703 /nfs/dbraw/zinc/68/37/03/794683703.db2.gz CXKIRAZJUGWFNV-FVQHAEBGSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535452 794812440 /nfs/dbraw/zinc/81/24/40/794812440.db2.gz WPDFGHGBFLJQSG-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729329 794898098 /nfs/dbraw/zinc/89/80/98/794898098.db2.gz AQALZBRZWPLFGV-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178890508 795020348 /nfs/dbraw/zinc/02/03/48/795020348.db2.gz HIJWYZGYSBXBEM-HRCADAONSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902573 795026806 /nfs/dbraw/zinc/02/68/06/795026806.db2.gz XCHSPYNYUTYHAZ-VYDXJSESSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120448885 795462471 /nfs/dbraw/zinc/46/24/71/795462471.db2.gz HYPPAFYAWXUTCH-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120458663 795464660 /nfs/dbraw/zinc/46/46/60/795464660.db2.gz IEDCFQHHCLUECR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458663 795464663 /nfs/dbraw/zinc/46/46/63/795464663.db2.gz IEDCFQHHCLUECR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458663 795464667 /nfs/dbraw/zinc/46/46/67/795464667.db2.gz IEDCFQHHCLUECR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001121897887 795700726 /nfs/dbraw/zinc/70/07/26/795700726.db2.gz QDKGXVORVUSEPF-KRWDZBQOSA-N 2 1 301.434 2.014 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122106449 795726493 /nfs/dbraw/zinc/72/64/93/795726493.db2.gz GNSFPVMBDYKDBO-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165111 795823825 /nfs/dbraw/zinc/82/38/25/795823825.db2.gz NHFJSRQYAIMLLG-ZIFCJYIRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516902 795878742 /nfs/dbraw/zinc/87/87/42/795878742.db2.gz DTNIFMPSFPKPJP-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576546 795925762 /nfs/dbraw/zinc/92/57/62/795925762.db2.gz FXIQACKLGOWPDD-UONOGXRCSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577886 796087125 /nfs/dbraw/zinc/08/71/25/796087125.db2.gz QAODRMKOCOXLMI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OC ZINC001138345137 796201156 /nfs/dbraw/zinc/20/11/56/796201156.db2.gz JXCOVXUQBLRHPN-SJORKVTESA-N 2 1 314.429 2.091 20 30 DEEDMP C#CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1OC ZINC001138345137 796201163 /nfs/dbraw/zinc/20/11/63/796201163.db2.gz JXCOVXUQBLRHPN-SJORKVTESA-N 2 1 314.429 2.091 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084462 796935354 /nfs/dbraw/zinc/93/53/54/796935354.db2.gz NSMKORKPADPTCE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084462 796935358 /nfs/dbraw/zinc/93/53/58/796935358.db2.gz NSMKORKPADPTCE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084462 796935360 /nfs/dbraw/zinc/93/53/60/796935360.db2.gz NSMKORKPADPTCE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190491573 797020773 /nfs/dbraw/zinc/02/07/73/797020773.db2.gz IQUWTLFYMDJPNY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190491573 797020780 /nfs/dbraw/zinc/02/07/80/797020780.db2.gz IQUWTLFYMDJPNY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190491573 797020784 /nfs/dbraw/zinc/02/07/84/797020784.db2.gz IQUWTLFYMDJPNY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112924 797466407 /nfs/dbraw/zinc/46/64/07/797466407.db2.gz XSLUDWIOZRBTEY-CQSZACIVSA-N 2 1 322.453 2.143 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112924 797466410 /nfs/dbraw/zinc/46/64/10/797466410.db2.gz XSLUDWIOZRBTEY-CQSZACIVSA-N 2 1 322.453 2.143 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424834 797565184 /nfs/dbraw/zinc/56/51/84/797565184.db2.gz PYOUYOPZIWXHSO-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424834 797565187 /nfs/dbraw/zinc/56/51/87/797565187.db2.gz PYOUYOPZIWXHSO-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP Cc1[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1CC#N ZINC001155462815 797762680 /nfs/dbraw/zinc/76/26/80/797762680.db2.gz PZYCSIWACRFPSN-HNNXBMFYSA-N 2 1 309.417 2.479 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196201286 798019744 /nfs/dbraw/zinc/01/97/44/798019744.db2.gz XQWPHPMPSRTXPR-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201286 798019749 /nfs/dbraw/zinc/01/97/49/798019749.db2.gz XQWPHPMPSRTXPR-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196201286 798019754 /nfs/dbraw/zinc/01/97/54/798019754.db2.gz XQWPHPMPSRTXPR-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197158186 798157253 /nfs/dbraw/zinc/15/72/53/798157253.db2.gz KJQCWERMCBUOTH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001197158186 798157255 /nfs/dbraw/zinc/15/72/55/798157255.db2.gz KJQCWERMCBUOTH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001197158186 798157258 /nfs/dbraw/zinc/15/72/58/798157258.db2.gz KJQCWERMCBUOTH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241364 798169084 /nfs/dbraw/zinc/16/90/84/798169084.db2.gz LAQUWLLOUHIQAL-OAHLLOKOSA-N 2 1 319.449 2.195 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198244229 798302616 /nfs/dbraw/zinc/30/26/16/798302616.db2.gz VFRNKRGUWUORSC-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198363587 798321771 /nfs/dbraw/zinc/32/17/71/798321771.db2.gz BMFSMFYGMQGRHA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198363587 798321778 /nfs/dbraw/zinc/32/17/78/798321778.db2.gz BMFSMFYGMQGRHA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363587 798321784 /nfs/dbraw/zinc/32/17/84/798321784.db2.gz BMFSMFYGMQGRHA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198363587 798321792 /nfs/dbraw/zinc/32/17/92/798321792.db2.gz BMFSMFYGMQGRHA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764063 798465318 /nfs/dbraw/zinc/46/53/18/798465318.db2.gz NPFOAACFUJQFJU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159628219 798591168 /nfs/dbraw/zinc/59/11/68/798591168.db2.gz FWYJJDKHIBUUNJ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159628219 798591171 /nfs/dbraw/zinc/59/11/71/798591171.db2.gz FWYJJDKHIBUUNJ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119954 798650122 /nfs/dbraw/zinc/65/01/22/798650122.db2.gz HYPCVLRRKAKLDA-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119954 798650125 /nfs/dbraw/zinc/65/01/25/798650125.db2.gz HYPCVLRRKAKLDA-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119954 798650129 /nfs/dbraw/zinc/65/01/29/798650129.db2.gz HYPCVLRRKAKLDA-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160132005 798651921 /nfs/dbraw/zinc/65/19/21/798651921.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132005 798651925 /nfs/dbraw/zinc/65/19/25/798651925.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160132005 798651932 /nfs/dbraw/zinc/65/19/32/798651932.db2.gz ZPIDZBLBSMCROC-MSOLQXFVSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175284 798658172 /nfs/dbraw/zinc/65/81/72/798658172.db2.gz JYEFGLRTHBQTGE-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175284 798658173 /nfs/dbraw/zinc/65/81/73/798658173.db2.gz JYEFGLRTHBQTGE-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175284 798658174 /nfs/dbraw/zinc/65/81/74/798658174.db2.gz JYEFGLRTHBQTGE-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644518 798666253 /nfs/dbraw/zinc/66/62/53/798666253.db2.gz NRTITKJKEBRGBH-OAHLLOKOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214779857 798803690 /nfs/dbraw/zinc/80/36/90/798803690.db2.gz BBUGWNZMRSZUAL-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207427 798810412 /nfs/dbraw/zinc/81/04/12/798810412.db2.gz UDHNQSDUHYOFLH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207427 798810418 /nfs/dbraw/zinc/81/04/18/798810418.db2.gz UDHNQSDUHYOFLH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207427 798810423 /nfs/dbraw/zinc/81/04/23/798810423.db2.gz UDHNQSDUHYOFLH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001161323133 798828100 /nfs/dbraw/zinc/82/81/00/798828100.db2.gz CZOAFKHCVCVHJM-ZFWWWQNUSA-N 2 1 318.465 2.274 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576634 798843837 /nfs/dbraw/zinc/84/38/37/798843837.db2.gz SZVLCRKWAUCDEZ-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576634 798843842 /nfs/dbraw/zinc/84/38/42/798843842.db2.gz SZVLCRKWAUCDEZ-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576634 798843849 /nfs/dbraw/zinc/84/38/49/798843849.db2.gz SZVLCRKWAUCDEZ-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095405200 799479910 /nfs/dbraw/zinc/47/99/10/799479910.db2.gz OOZWIGBSXYQNLY-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095405200 799479914 /nfs/dbraw/zinc/47/99/14/799479914.db2.gz OOZWIGBSXYQNLY-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(CC#N)ccn2)CC1 ZINC001165109093 799652232 /nfs/dbraw/zinc/65/22/32/799652232.db2.gz NAEGHMBYAOEIMH-KRWDZBQOSA-N 2 1 314.433 2.227 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751417 799940761 /nfs/dbraw/zinc/94/07/61/799940761.db2.gz QSMDMQHWZGXOLR-UHFFFAOYSA-N 2 1 323.868 2.009 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203906666 800144705 /nfs/dbraw/zinc/14/47/05/800144705.db2.gz RNRXOIZOIMXBEO-UHFFFAOYSA-N 2 1 324.472 2.350 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205221879 800322214 /nfs/dbraw/zinc/32/22/14/800322214.db2.gz XPKIDASEILJAFM-SFHVURJKSA-N 2 1 304.434 2.317 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519126 800368104 /nfs/dbraw/zinc/36/81/04/800368104.db2.gz WOGPMDDHUUMARC-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281836 800722458 /nfs/dbraw/zinc/72/24/58/800722458.db2.gz HSQCCYUSLXCLDZ-SJLPKXTDSA-N 2 1 310.482 2.400 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164152 800855659 /nfs/dbraw/zinc/85/56/59/800855659.db2.gz LZYRQILQHFZDEX-BDXSIMOUSA-N 2 1 319.493 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358779 800965975 /nfs/dbraw/zinc/96/59/75/800965975.db2.gz NFZHCQQOFNOJBD-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485651 800994244 /nfs/dbraw/zinc/99/42/44/800994244.db2.gz PAWYCNUHWVKCOR-BFYDXBDKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850229 801766205 /nfs/dbraw/zinc/76/62/05/801766205.db2.gz RFUQPRPGQSROOK-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397385 801856024 /nfs/dbraw/zinc/85/60/24/801856024.db2.gz YIFUHUJDLURXKI-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215778573 801903698 /nfs/dbraw/zinc/90/36/98/801903698.db2.gz SMDBUDBLGAFEIL-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223024217 802759348 /nfs/dbraw/zinc/75/93/48/802759348.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223024217 802759353 /nfs/dbraw/zinc/75/93/53/802759353.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223024217 802759359 /nfs/dbraw/zinc/75/93/59/802759359.db2.gz VONQWTPCWQKXLB-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489860 802795671 /nfs/dbraw/zinc/79/56/71/802795671.db2.gz ZOECYDANCNAOGE-IKGGRYGDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245730 802851393 /nfs/dbraw/zinc/85/13/93/802851393.db2.gz BBCFVGKMRXEKMR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245730 802851397 /nfs/dbraw/zinc/85/13/97/802851397.db2.gz BBCFVGKMRXEKMR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245730 802851402 /nfs/dbraw/zinc/85/14/02/802851402.db2.gz BBCFVGKMRXEKMR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168381 802941997 /nfs/dbraw/zinc/94/19/97/802941997.db2.gz VXSYVOBORCFFEZ-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001331069167 1149373951 /nfs/dbraw/zinc/37/39/51/1149373951.db2.gz SAHZRNIZNJHUBF-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529537 1149509926 /nfs/dbraw/zinc/50/99/26/1149509926.db2.gz KVEQPIJSIKJOAR-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001343429495 1150741677 /nfs/dbraw/zinc/74/16/77/1150741677.db2.gz AVMISQZOAFKBRS-RDJZCZTQSA-N 2 1 303.450 2.307 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001499896431 1058354888 /nfs/dbraw/zinc/35/48/88/1058354888.db2.gz JNNMWOAIDYXHRI-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001500111555 1058498555 /nfs/dbraw/zinc/49/85/55/1058498555.db2.gz QRGZGRUTBNFULK-WBVHZDCISA-N 2 1 307.482 2.169 20 30 DEEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001500241870 1058628205 /nfs/dbraw/zinc/62/82/05/1058628205.db2.gz BZNFNKSRKNOUKG-LJQANCHMSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500241870 1058628226 /nfs/dbraw/zinc/62/82/26/1058628226.db2.gz BZNFNKSRKNOUKG-LJQANCHMSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500241870 1058628245 /nfs/dbraw/zinc/62/82/45/1058628245.db2.gz BZNFNKSRKNOUKG-LJQANCHMSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001500416487 1058764180 /nfs/dbraw/zinc/76/41/80/1058764180.db2.gz QNLYSYWFKRPMNG-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394625 1059487773 /nfs/dbraw/zinc/48/77/73/1059487773.db2.gz IJCITNYGFVGACP-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001502532728 1060166387 /nfs/dbraw/zinc/16/63/87/1060166387.db2.gz WQNXBIWSXJHTGU-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001502532728 1060166393 /nfs/dbraw/zinc/16/63/93/1060166393.db2.gz WQNXBIWSXJHTGU-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001502532729 1060168426 /nfs/dbraw/zinc/16/84/26/1060168426.db2.gz WQNXBIWSXJHTGU-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001502532729 1060168428 /nfs/dbraw/zinc/16/84/28/1060168428.db2.gz WQNXBIWSXJHTGU-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001502839052 1060350039 /nfs/dbraw/zinc/35/00/39/1060350039.db2.gz QUBTXRXGELTFSJ-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502933158 1060400564 /nfs/dbraw/zinc/40/05/64/1060400564.db2.gz JMTHZFIGANMTCT-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502933158 1060400571 /nfs/dbraw/zinc/40/05/71/1060400571.db2.gz JMTHZFIGANMTCT-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502933158 1060400580 /nfs/dbraw/zinc/40/05/80/1060400580.db2.gz JMTHZFIGANMTCT-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502933158 1060400585 /nfs/dbraw/zinc/40/05/85/1060400585.db2.gz JMTHZFIGANMTCT-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502967171 1060407989 /nfs/dbraw/zinc/40/79/89/1060407989.db2.gz HLKYUXJHDSJLBW-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505430579 1060579549 /nfs/dbraw/zinc/57/95/49/1060579549.db2.gz FBDIQHSDDSXUNA-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445490 1060608925 /nfs/dbraw/zinc/60/89/25/1060608925.db2.gz WGZZRAHXJCIQPT-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001479687378 1061599202 /nfs/dbraw/zinc/59/92/02/1061599202.db2.gz GARYNMJUSBPHDJ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001480140754 1062377116 /nfs/dbraw/zinc/37/71/16/1062377116.db2.gz GJKFJDVEPNCEFL-QBPKDAKJSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190231 1062442024 /nfs/dbraw/zinc/44/20/24/1062442024.db2.gz YNDVNPFPVJPCEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190231 1062442036 /nfs/dbraw/zinc/44/20/36/1062442036.db2.gz YNDVNPFPVJPCEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190231 1062442043 /nfs/dbraw/zinc/44/20/43/1062442043.db2.gz YNDVNPFPVJPCEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001480190345 1062442960 /nfs/dbraw/zinc/44/29/60/1062442960.db2.gz ZVJBHTKUQNHSTF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480362790 1062715332 /nfs/dbraw/zinc/71/53/32/1062715332.db2.gz MVQJVZPMOKJDAM-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480697276 1063204269 /nfs/dbraw/zinc/20/42/69/1063204269.db2.gz LRBPOAPMAQGXRS-HZPDHXFCSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386505 1063208775 /nfs/dbraw/zinc/20/87/75/1063208775.db2.gz LZSIESDYPVKJER-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742720 1063283774 /nfs/dbraw/zinc/28/37/74/1063283774.db2.gz QYLDHIJDBMIHJV-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001508145626 1063580540 /nfs/dbraw/zinc/58/05/40/1063580540.db2.gz OKNWKALJLMTBEA-HTWSVDAQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001508230314 1063623590 /nfs/dbraw/zinc/62/35/90/1063623590.db2.gz TXMJGOPXGXYJPR-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001493260817 1063676653 /nfs/dbraw/zinc/67/66/53/1063676653.db2.gz UQGGPRFSTSQTQF-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493260817 1063676661 /nfs/dbraw/zinc/67/66/61/1063676661.db2.gz UQGGPRFSTSQTQF-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493260817 1063676669 /nfs/dbraw/zinc/67/66/69/1063676669.db2.gz UQGGPRFSTSQTQF-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001493759887 1063951467 /nfs/dbraw/zinc/95/14/67/1063951467.db2.gz OJAHXGFRWGOVJA-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456149 1064206386 /nfs/dbraw/zinc/20/63/86/1064206386.db2.gz QNKRMAFVVGZMOY-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567713202 1064369441 /nfs/dbraw/zinc/36/94/41/1064369441.db2.gz YSYMDTXNZROACL-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567713202 1064369454 /nfs/dbraw/zinc/36/94/54/1064369454.db2.gz YSYMDTXNZROACL-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567713202 1064369468 /nfs/dbraw/zinc/36/94/68/1064369468.db2.gz YSYMDTXNZROACL-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742788 1064396489 /nfs/dbraw/zinc/39/64/89/1064396489.db2.gz USSMKGRNQDTMOV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494900536 1064561093 /nfs/dbraw/zinc/56/10/93/1064561093.db2.gz NTRJLIDSPFHKOV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494900536 1064561110 /nfs/dbraw/zinc/56/11/10/1064561110.db2.gz NTRJLIDSPFHKOV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494900536 1064561124 /nfs/dbraw/zinc/56/11/24/1064561124.db2.gz NTRJLIDSPFHKOV-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495369546 1064865591 /nfs/dbraw/zinc/86/55/91/1064865591.db2.gz GELVZRURSAFAAH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001568493594 1064909169 /nfs/dbraw/zinc/90/91/69/1064909169.db2.gz ZIZKLBSIWPZHHI-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001568493594 1064909183 /nfs/dbraw/zinc/90/91/83/1064909183.db2.gz ZIZKLBSIWPZHHI-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568493594 1064909188 /nfs/dbraw/zinc/90/91/88/1064909188.db2.gz ZIZKLBSIWPZHHI-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493594 1064909200 /nfs/dbraw/zinc/90/92/00/1064909200.db2.gz ZIZKLBSIWPZHHI-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001568506561 1064919656 /nfs/dbraw/zinc/91/96/56/1064919656.db2.gz QQKCUDQRAGTAPE-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001495486004 1064937723 /nfs/dbraw/zinc/93/77/23/1064937723.db2.gz VQBHPWMKYKLVQG-INIZCTEOSA-N 2 1 321.852 2.239 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001495680440 1065049064 /nfs/dbraw/zinc/04/90/64/1065049064.db2.gz BAAVXAXUXLEQSG-IRXDYDNUSA-N 2 1 321.509 2.252 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001495680440 1065049076 /nfs/dbraw/zinc/04/90/76/1065049076.db2.gz BAAVXAXUXLEQSG-IRXDYDNUSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569123261 1065305326 /nfs/dbraw/zinc/30/53/26/1065305326.db2.gz SBVZUKFCFJBXNP-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001569442591 1065510717 /nfs/dbraw/zinc/51/07/17/1065510717.db2.gz AFSGAUAUAQNXLU-MGNMYUMUSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514518 /nfs/dbraw/zinc/51/45/18/1065514518.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514526 /nfs/dbraw/zinc/51/45/26/1065514526.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CCCCCC1 ZINC001569450870 1065514539 /nfs/dbraw/zinc/51/45/39/1065514539.db2.gz NFODVQMAVVSNHX-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001569548928 1065585010 /nfs/dbraw/zinc/58/50/10/1065585010.db2.gz ISWGBNXSBJLKED-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569672289 1065664366 /nfs/dbraw/zinc/66/43/66/1065664366.db2.gz FOQIPYBLEPNVMP-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001569699967 1065677984 /nfs/dbraw/zinc/67/79/84/1065677984.db2.gz KAOHAWVPHFIRDU-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001496871514 1065768793 /nfs/dbraw/zinc/76/87/93/1065768793.db2.gz ZJBIENXRJHEATP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCC1 ZINC001570105024 1065925593 /nfs/dbraw/zinc/92/55/93/1065925593.db2.gz FFJHHPRSKPDDLH-OAHLLOKOSA-N 2 1 316.449 2.048 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497265965 1065998086 /nfs/dbraw/zinc/99/80/86/1065998086.db2.gz BQXAGEPFWFFJST-ZDUSSCGKSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001497828146 1066349812 /nfs/dbraw/zinc/34/98/12/1066349812.db2.gz UEOFSIAGZWWYGR-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC(C)(C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001632011647 1078377160 /nfs/dbraw/zinc/37/71/60/1078377160.db2.gz LHXOTLOZWBSVBB-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001499531225 1067248742 /nfs/dbraw/zinc/24/87/42/1067248742.db2.gz TYQJNHSJTVJSMO-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001499576265 1067264339 /nfs/dbraw/zinc/26/43/39/1067264339.db2.gz ILPADROCKPNZMF-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001571022042 1068173919 /nfs/dbraw/zinc/17/39/19/1068173919.db2.gz LEEGZUUBKPJDNM-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001493296209 1078663560 /nfs/dbraw/zinc/66/35/60/1078663560.db2.gz IKCGAUCEMWVFHI-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001493296209 1078663565 /nfs/dbraw/zinc/66/35/65/1078663565.db2.gz IKCGAUCEMWVFHI-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001493296209 1078663570 /nfs/dbraw/zinc/66/35/70/1078663570.db2.gz IKCGAUCEMWVFHI-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001571326598 1068222909 /nfs/dbraw/zinc/22/29/09/1068222909.db2.gz XURSXVZHYHHNJH-AEFFLSMTSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001571660645 1068466730 /nfs/dbraw/zinc/46/67/30/1068466730.db2.gz KXIJCCJEOKMFFX-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267302964 1078749162 /nfs/dbraw/zinc/74/91/62/1078749162.db2.gz JCRBAVQFPINYKS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572238 1079041484 /nfs/dbraw/zinc/04/14/84/1079041484.db2.gz XULQIEBTYWNWJO-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572238 1079041488 /nfs/dbraw/zinc/04/14/88/1079041488.db2.gz XULQIEBTYWNWJO-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267591130 1079103880 /nfs/dbraw/zinc/10/38/80/1079103880.db2.gz AIVULHSOOYRDCW-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011941 1079241394 /nfs/dbraw/zinc/24/13/94/1079241394.db2.gz NPDSHGQEXXMFAT-DLBZAZTESA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001481175023 1079290360 /nfs/dbraw/zinc/29/03/60/1079290360.db2.gz AOYNFQBVWBNSML-UHFFFAOYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484106124 1079304801 /nfs/dbraw/zinc/30/48/01/1079304801.db2.gz DLDVTEWAJZVKNQ-XYJFISCASA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001484107173 1079306546 /nfs/dbraw/zinc/30/65/46/1079306546.db2.gz JEUORDAWGIUVSF-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484136333 1079316875 /nfs/dbraw/zinc/31/68/75/1079316875.db2.gz CKNJUPRMHPDVPK-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166147 1079340776 /nfs/dbraw/zinc/34/07/76/1079340776.db2.gz DBHJTJCQVFHRFT-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166147 1079340782 /nfs/dbraw/zinc/34/07/82/1079340782.db2.gz DBHJTJCQVFHRFT-INIZCTEOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001671238107 1074984444 /nfs/dbraw/zinc/98/44/44/1074984444.db2.gz KDVMHADPSXGTFP-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001565855225 1075197811 /nfs/dbraw/zinc/19/78/11/1075197811.db2.gz HRMDCXNOXUEAAF-BMFAXAFESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267689973 1079376526 /nfs/dbraw/zinc/37/65/26/1079376526.db2.gz JUUNALPLJZRSFG-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267689973 1079376535 /nfs/dbraw/zinc/37/65/35/1079376535.db2.gz JUUNALPLJZRSFG-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566914185 1075383478 /nfs/dbraw/zinc/38/34/78/1075383478.db2.gz YSADBOVELJRFBR-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054444 1075423988 /nfs/dbraw/zinc/42/39/88/1075423988.db2.gz RLELFCMBXCORKT-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001567126649 1075438231 /nfs/dbraw/zinc/43/82/31/1075438231.db2.gz AZUAUAPTLVMDOR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567195662 1075461034 /nfs/dbraw/zinc/46/10/34/1075461034.db2.gz BDHNVMHUCZZCEC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567195662 1075461036 /nfs/dbraw/zinc/46/10/36/1075461036.db2.gz BDHNVMHUCZZCEC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567195662 1075461037 /nfs/dbraw/zinc/46/10/37/1075461037.db2.gz BDHNVMHUCZZCEC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001267948362 1079627159 /nfs/dbraw/zinc/62/71/59/1079627159.db2.gz AYPMFTAIAXMZFP-IYBDPMFKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001481368661 1079760945 /nfs/dbraw/zinc/76/09/45/1079760945.db2.gz HLZFPSGGRQDMCN-HNNXBMFYSA-N 2 1 309.841 2.138 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001484943079 1079876820 /nfs/dbraw/zinc/87/68/20/1079876820.db2.gz UOFCEOIQQXVNRP-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001481516043 1079983653 /nfs/dbraw/zinc/98/36/53/1079983653.db2.gz KMEVETZRRSBTNJ-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001481516043 1079983660 /nfs/dbraw/zinc/98/36/60/1079983660.db2.gz KMEVETZRRSBTNJ-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001481516043 1079983666 /nfs/dbraw/zinc/98/36/66/1079983666.db2.gz KMEVETZRRSBTNJ-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001485254257 1080088915 /nfs/dbraw/zinc/08/89/15/1080088915.db2.gz ZDNVBNABUHMXIN-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001656763941 1080121424 /nfs/dbraw/zinc/12/14/24/1080121424.db2.gz VDTUIJMPSQCYOU-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001268199945 1080185520 /nfs/dbraw/zinc/18/55/20/1080185520.db2.gz NRWLNZIPQYBWCD-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001268199945 1080185524 /nfs/dbraw/zinc/18/55/24/1080185524.db2.gz NRWLNZIPQYBWCD-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001268199945 1080185534 /nfs/dbraw/zinc/18/55/34/1080185534.db2.gz NRWLNZIPQYBWCD-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001485437656 1080206973 /nfs/dbraw/zinc/20/69/73/1080206973.db2.gz JKFXOVUDMNJGTP-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001485455649 1080216836 /nfs/dbraw/zinc/21/68/36/1080216836.db2.gz QSNBPSXHKYAXSS-UHFFFAOYSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCCC(C)C)CC1 ZINC001268259530 1080237854 /nfs/dbraw/zinc/23/78/54/1080237854.db2.gz NAHSTXPBHQYSDZ-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753354 1080440780 /nfs/dbraw/zinc/44/07/80/1080440780.db2.gz SVYNURZWHOJDEC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001661142345 1080447235 /nfs/dbraw/zinc/44/72/35/1080447235.db2.gz JPSVIDAXAQTTGO-SJORKVTESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001661220698 1080459166 /nfs/dbraw/zinc/45/91/66/1080459166.db2.gz IZWAKXRNKKWBOK-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001661220698 1080459173 /nfs/dbraw/zinc/45/91/73/1080459173.db2.gz IZWAKXRNKKWBOK-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001661220698 1080459180 /nfs/dbraw/zinc/45/91/80/1080459180.db2.gz IZWAKXRNKKWBOK-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661752955 1080517990 /nfs/dbraw/zinc/51/79/90/1080517990.db2.gz QXIREPNMFQGPSN-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001481964830 1080656220 /nfs/dbraw/zinc/65/62/20/1080656220.db2.gz TWVYRLRFJVIKOR-FUHWJXTLSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001481992113 1080675404 /nfs/dbraw/zinc/67/54/04/1080675404.db2.gz UYFWQYDEWVIGNB-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001481992108 1080675437 /nfs/dbraw/zinc/67/54/37/1080675437.db2.gz UYFWQYDEWVIGNB-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001482071194 1080776112 /nfs/dbraw/zinc/77/61/12/1080776112.db2.gz BWQSPNFCOWNWFP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001482071194 1080776117 /nfs/dbraw/zinc/77/61/17/1080776117.db2.gz BWQSPNFCOWNWFP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CCC)CC2 ZINC001482071194 1080776121 /nfs/dbraw/zinc/77/61/21/1080776121.db2.gz BWQSPNFCOWNWFP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001664457434 1080912318 /nfs/dbraw/zinc/91/23/18/1080912318.db2.gz OGVQSLAJGPZEIU-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001664457392 1080912883 /nfs/dbraw/zinc/91/28/83/1080912883.db2.gz NLVVUZOPUDKIEW-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001664686633 1080942433 /nfs/dbraw/zinc/94/24/33/1080942433.db2.gz MKIKNFOZKOOZPY-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001664760813 1080957079 /nfs/dbraw/zinc/95/70/79/1080957079.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001664760813 1080957083 /nfs/dbraw/zinc/95/70/83/1080957083.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001664760813 1080957086 /nfs/dbraw/zinc/95/70/86/1080957086.db2.gz ZGLHDGHUMRYESH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001665425037 1081026921 /nfs/dbraw/zinc/02/69/21/1081026921.db2.gz FLYIPZCYUKRLAY-IRXDYDNUSA-N 2 1 319.493 2.338 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665720325 1081071069 /nfs/dbraw/zinc/07/10/69/1081071069.db2.gz HOOINWLIXFWYLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001665720325 1081071078 /nfs/dbraw/zinc/07/10/78/1081071078.db2.gz HOOINWLIXFWYLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001665720325 1081071085 /nfs/dbraw/zinc/07/10/85/1081071085.db2.gz HOOINWLIXFWYLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001666017576 1081111720 /nfs/dbraw/zinc/11/17/20/1081111720.db2.gz RTLFLYVIDNTFPM-RLFYNMQTSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269129462 1081130378 /nfs/dbraw/zinc/13/03/78/1081130378.db2.gz KDOYKOPEUBESJD-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001269138370 1081135120 /nfs/dbraw/zinc/13/51/20/1081135120.db2.gz JHZKPAAYWXIGTB-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403608 1081239408 /nfs/dbraw/zinc/23/94/08/1081239408.db2.gz YGUPLQJOYZAMJF-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C)CC1 ZINC001667669637 1081272229 /nfs/dbraw/zinc/27/22/29/1081272229.db2.gz XPBGHKQMVQNWAJ-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001269558144 1081290699 /nfs/dbraw/zinc/29/06/99/1081290699.db2.gz WXDWYVVJLXDQKD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558144 1081290705 /nfs/dbraw/zinc/29/07/05/1081290705.db2.gz WXDWYVVJLXDQKD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558144 1081290708 /nfs/dbraw/zinc/29/07/08/1081290708.db2.gz WXDWYVVJLXDQKD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669911309 1081478936 /nfs/dbraw/zinc/47/89/36/1081478936.db2.gz UWFXYIPJLFUUNQ-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001671542792 1081522993 /nfs/dbraw/zinc/52/29/93/1081522993.db2.gz XBCYQOMQCNFNTD-ZWKOTPCHSA-N 2 1 319.493 2.005 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001673878143 1081807259 /nfs/dbraw/zinc/80/72/59/1081807259.db2.gz NIWQNMGNYFCNDH-RDJZCZTQSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674506643 1081885604 /nfs/dbraw/zinc/88/56/04/1081885604.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506643 1081885611 /nfs/dbraw/zinc/88/56/11/1081885611.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506643 1081885616 /nfs/dbraw/zinc/88/56/16/1081885616.db2.gz YWLPVFNHILNLDP-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271665159 1082104722 /nfs/dbraw/zinc/10/47/22/1082104722.db2.gz IQFFRMJBOUSVNS-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001271884603 1082180842 /nfs/dbraw/zinc/18/08/42/1082180842.db2.gz KTBOMJCQWXRSFQ-ULQDDVLXSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001272216873 1082677695 /nfs/dbraw/zinc/67/76/95/1082677695.db2.gz XYUSKCHZIOWHDC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001483136511 1082768421 /nfs/dbraw/zinc/76/84/21/1082768421.db2.gz VKDRDBJRRCUBFH-FPQWYMTMSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001483136511 1082768427 /nfs/dbraw/zinc/76/84/27/1082768427.db2.gz VKDRDBJRRCUBFH-FPQWYMTMSA-N 2 1 319.493 2.005 20 30 DEEDMP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cc(C#N)n(C)c4)C[C@H]32)cc[nH+]1 ZINC001277065122 1083756229 /nfs/dbraw/zinc/75/62/29/1083756229.db2.gz VACXHFMHESSVSY-QFBILLFUSA-N 2 1 321.428 2.311 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001277273407 1083888565 /nfs/dbraw/zinc/88/85/65/1083888565.db2.gz DTQLRHBPOYCEMJ-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339748 1083947113 /nfs/dbraw/zinc/94/71/13/1083947113.db2.gz LGGYBVFMXSHCCE-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339748 1083947117 /nfs/dbraw/zinc/94/71/17/1083947117.db2.gz LGGYBVFMXSHCCE-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001277448018 1083975880 /nfs/dbraw/zinc/97/58/80/1083975880.db2.gz UXTDBEWLSVDRDA-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2cc[nH+]cc2)cc1C#N ZINC001277694697 1084099859 /nfs/dbraw/zinc/09/98/59/1084099859.db2.gz UDOSXTJASDCFGZ-ROUUACIJSA-N 2 1 307.401 2.145 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001670969690 1084175379 /nfs/dbraw/zinc/17/53/79/1084175379.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001670969690 1084175385 /nfs/dbraw/zinc/17/53/85/1084175385.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001670969690 1084175390 /nfs/dbraw/zinc/17/53/90/1084175390.db2.gz VVGUCHUMFBNAFJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491315002 1084229541 /nfs/dbraw/zinc/22/95/41/1084229541.db2.gz VMPAXZIWRWDFPN-QXDIGNSFSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491315002 1084229549 /nfs/dbraw/zinc/22/95/49/1084229549.db2.gz VMPAXZIWRWDFPN-QXDIGNSFSA-N 2 1 319.493 2.260 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512796 1084452548 /nfs/dbraw/zinc/45/25/48/1084452548.db2.gz KMJKZZPCDQZXKO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512796 1084452554 /nfs/dbraw/zinc/45/25/54/1084452554.db2.gz KMJKZZPCDQZXKO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512796 1084452556 /nfs/dbraw/zinc/45/25/56/1084452556.db2.gz KMJKZZPCDQZXKO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001277956044 1084476834 /nfs/dbraw/zinc/47/68/34/1084476834.db2.gz GEIFHRQKWLBAAN-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631524 1084480611 /nfs/dbraw/zinc/48/06/11/1084480611.db2.gz AGROFNTXAXWEKS-IAGOWNOFSA-N 2 1 316.449 2.026 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001486206035 1085110947 /nfs/dbraw/zinc/11/09/47/1085110947.db2.gz NKBKBJOVJLUVKS-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494159713 1085369407 /nfs/dbraw/zinc/36/94/07/1085369407.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494159713 1085369415 /nfs/dbraw/zinc/36/94/15/1085369415.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494159713 1085369427 /nfs/dbraw/zinc/36/94/27/1085369427.db2.gz MICQMKMZLHJHHX-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000963612952 1086512965 /nfs/dbraw/zinc/51/29/65/1086512965.db2.gz GAONDIXPKRAPDB-ABHNRTSZSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001273146435 1086999012 /nfs/dbraw/zinc/99/90/12/1086999012.db2.gz MBEUKOJTVZGJCE-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957516765 1088371159 /nfs/dbraw/zinc/37/11/59/1088371159.db2.gz BOJZPADNAJCVHK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751019 1088400723 /nfs/dbraw/zinc/40/07/23/1088400723.db2.gz SAEXGHWZRZAWCZ-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541370 1089036727 /nfs/dbraw/zinc/03/67/27/1089036727.db2.gz QGOIVTOJGDUQAS-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541370 1089036742 /nfs/dbraw/zinc/03/67/42/1089036742.db2.gz QGOIVTOJGDUQAS-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429226 1090287497 /nfs/dbraw/zinc/28/74/97/1090287497.db2.gz UKMHPTGZNBESBF-ZACQAIPSSA-N 2 1 307.482 2.072 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589839 /nfs/dbraw/zinc/58/98/39/1090589839.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589844 /nfs/dbraw/zinc/58/98/44/1090589844.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014279 1090589854 /nfs/dbraw/zinc/58/98/54/1090589854.db2.gz QRCLZWMVBMOZHR-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274430119 1091238069 /nfs/dbraw/zinc/23/80/69/1091238069.db2.gz KJVTVTZTMZVXGR-JEZUCGJFSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001276225983 1091717442 /nfs/dbraw/zinc/71/74/42/1091717442.db2.gz HMRDTHBAOOPDMP-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001273599326 1091945490 /nfs/dbraw/zinc/94/54/90/1091945490.db2.gz QDWJIECMEXHTTE-CALCHBBNSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001273599326 1091945495 /nfs/dbraw/zinc/94/54/95/1091945495.db2.gz QDWJIECMEXHTTE-CALCHBBNSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001490716654 1093480087 /nfs/dbraw/zinc/48/00/87/1093480087.db2.gz JXXIZNASDOMONC-AWEZNQCLSA-N 2 1 324.856 2.243 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281951052 1138856962 /nfs/dbraw/zinc/85/69/62/1138856962.db2.gz DETASDXIMHKFQI-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001281951052 1138856963 /nfs/dbraw/zinc/85/69/63/1138856963.db2.gz DETASDXIMHKFQI-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001281951052 1138856967 /nfs/dbraw/zinc/85/69/67/1138856967.db2.gz DETASDXIMHKFQI-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001281967269 1139055339 /nfs/dbraw/zinc/05/53/39/1139055339.db2.gz GHQSCTAEOIYTRO-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001281967269 1139055347 /nfs/dbraw/zinc/05/53/47/1139055347.db2.gz GHQSCTAEOIYTRO-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491804801 1140316749 /nfs/dbraw/zinc/31/67/49/1140316749.db2.gz KQELRUDVPDIBQF-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001319389976 1140561827 /nfs/dbraw/zinc/56/18/27/1140561827.db2.gz UEABUPUXHXAWMM-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019837 1140846925 /nfs/dbraw/zinc/84/69/25/1140846925.db2.gz ATEPDJTWKZZLRR-BZSNNMDCSA-N 2 1 311.514 2.124 20 30 DEEDMP N#Cc1ccc(C2CCC([NH2+][C@@H]3C[NH2+][C@@H]4COC[C@H]34)CC2)cc1 ZINC001246133349 1140864681 /nfs/dbraw/zinc/86/46/81/1140864681.db2.gz ICCIDMOSMLOPRR-CPLYBDICSA-N 2 1 311.429 2.161 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCOCC(C)C ZINC001246304300 1140882799 /nfs/dbraw/zinc/88/27/99/1140882799.db2.gz MFQHTGLWTDWMHF-HOTGVXAUSA-N 2 1 314.470 2.254 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCOC(C)C ZINC001246306738 1140882923 /nfs/dbraw/zinc/88/29/23/1140882923.db2.gz XTLGILHHLWQMMB-GJZGRUSLSA-N 2 1 300.443 2.006 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723995 1141046003 /nfs/dbraw/zinc/04/60/03/1141046003.db2.gz SVQGRYIISBQRIB-JKHFOPOESA-N 2 1 320.477 2.343 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723997 1141047196 /nfs/dbraw/zinc/04/71/96/1141047196.db2.gz SVQGRYIISBQRIB-VEHMJYNQSA-N 2 1 320.477 2.343 20 30 DEEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001322693653 1141687346 /nfs/dbraw/zinc/68/73/46/1141687346.db2.gz IVESIYDUEZDHEF-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358079 1141845253 /nfs/dbraw/zinc/84/52/53/1141845253.db2.gz RFAFPCBWSZLSBI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C[NH+]1CCC2(CC[N@@H+](Cc3cnn4ccc(C#N)cc34)C2)CC1 ZINC001249112893 1141850436 /nfs/dbraw/zinc/85/04/36/1141850436.db2.gz ALRIMZGKJHDMAK-UHFFFAOYSA-N 2 1 309.417 2.124 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001278579580 1142234523 /nfs/dbraw/zinc/23/45/23/1142234523.db2.gz LNQMSHRRXBRHII-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCOC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470203 1142723299 /nfs/dbraw/zinc/72/32/99/1142723299.db2.gz IWOKXSPABFIJPR-MOPGFXCFSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001252470203 1142723307 /nfs/dbraw/zinc/72/33/07/1142723307.db2.gz IWOKXSPABFIJPR-MOPGFXCFSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252470203 1142723316 /nfs/dbraw/zinc/72/33/16/1142723316.db2.gz IWOKXSPABFIJPR-MOPGFXCFSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252594743 1142774935 /nfs/dbraw/zinc/77/49/35/1142774935.db2.gz BCXMJRWMBJQGNB-XHSDSOJGSA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252594743 1142774944 /nfs/dbraw/zinc/77/49/44/1142774944.db2.gz BCXMJRWMBJQGNB-XHSDSOJGSA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252594743 1142774957 /nfs/dbraw/zinc/77/49/57/1142774957.db2.gz BCXMJRWMBJQGNB-XHSDSOJGSA-N 2 1 306.475 2.439 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252594743 1142774968 /nfs/dbraw/zinc/77/49/68/1142774968.db2.gz BCXMJRWMBJQGNB-XHSDSOJGSA-N 2 1 306.475 2.439 20 30 DEEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001254638776 1143293168 /nfs/dbraw/zinc/29/31/68/1143293168.db2.gz QLWXXHCMKSLDDG-QFBILLFUSA-N 2 1 312.461 2.216 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001278911777 1143830043 /nfs/dbraw/zinc/83/00/43/1143830043.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001278911777 1143830045 /nfs/dbraw/zinc/83/00/45/1143830045.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001278911777 1143830047 /nfs/dbraw/zinc/83/00/47/1143830047.db2.gz DYGPGFRQQOZFJD-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC001263106639 1144356594 /nfs/dbraw/zinc/35/65/94/1144356594.db2.gz BGSPKICUSRWQRS-JKSUJKDBSA-N 2 1 321.852 2.497 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001263928074 1144424948 /nfs/dbraw/zinc/42/49/48/1144424948.db2.gz UALQNTDDFPYZAB-SCTDSRPQSA-N 2 1 319.493 2.313 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001264187332 1144500702 /nfs/dbraw/zinc/50/07/02/1144500702.db2.gz OSEWELMKSIJEET-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652077 1144585629 /nfs/dbraw/zinc/58/56/29/1144585629.db2.gz SECVCUVWZWBOIU-IKGGRYGDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001265449648 1144704721 /nfs/dbraw/zinc/70/47/21/1144704721.db2.gz VXUJXKUJRJJSQN-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586560 1144715253 /nfs/dbraw/zinc/71/52/53/1144715253.db2.gz JQLDKNQILLUVSW-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586560 1144715255 /nfs/dbraw/zinc/71/52/55/1144715255.db2.gz JQLDKNQILLUVSW-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265656282 1144723882 /nfs/dbraw/zinc/72/38/82/1144723882.db2.gz ZHJKIMXRVMLGNQ-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316599446 1144829028 /nfs/dbraw/zinc/82/90/28/1144829028.db2.gz CQSIRVNRCYDPFF-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001280095590 1144832006 /nfs/dbraw/zinc/83/20/06/1144832006.db2.gz RDAJRRAMHPYWEB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001281845168 1144916375 /nfs/dbraw/zinc/91/63/75/1144916375.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001281845168 1144916376 /nfs/dbraw/zinc/91/63/76/1144916376.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001281845168 1144916377 /nfs/dbraw/zinc/91/63/77/1144916377.db2.gz QKERYNOKRUPWLC-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001316616281 1144926869 /nfs/dbraw/zinc/92/68/69/1144926869.db2.gz TZSZJGBRBZZSHS-KFWWJZLASA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001283077156 1145258248 /nfs/dbraw/zinc/25/82/48/1145258248.db2.gz ANLCUKHLZPYREV-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284067543 1145783545 /nfs/dbraw/zinc/78/35/45/1145783545.db2.gz LXQYZXZBGOAPSK-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284604536 1145877870 /nfs/dbraw/zinc/87/78/70/1145877870.db2.gz QNRJHMYKMRTOGP-HZPDHXFCSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492154291 1147101714 /nfs/dbraw/zinc/10/17/14/1147101714.db2.gz KJEMGOMTEBANJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492154291 1147101717 /nfs/dbraw/zinc/10/17/17/1147101717.db2.gz KJEMGOMTEBANJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492154291 1147101721 /nfs/dbraw/zinc/10/17/21/1147101721.db2.gz KJEMGOMTEBANJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492176949 1147119191 /nfs/dbraw/zinc/11/91/91/1147119191.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492176949 1147119201 /nfs/dbraw/zinc/11/92/01/1147119201.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492176949 1147119206 /nfs/dbraw/zinc/11/92/06/1147119206.db2.gz BHCGSVSAHXZEDJ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001317006625 1147578156 /nfs/dbraw/zinc/57/81/56/1147578156.db2.gz QUFAZFSMZLNIDU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316978030 1147642135 /nfs/dbraw/zinc/64/21/35/1147642135.db2.gz NMDGLZRGSRMISR-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316978030 1147642137 /nfs/dbraw/zinc/64/21/37/1147642137.db2.gz NMDGLZRGSRMISR-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316978030 1147642139 /nfs/dbraw/zinc/64/21/39/1147642139.db2.gz NMDGLZRGSRMISR-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317113206 1147661273 /nfs/dbraw/zinc/66/12/73/1147661273.db2.gz IANHHHADZPGELL-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317226795 1147679620 /nfs/dbraw/zinc/67/96/20/1147679620.db2.gz OOIAYONSMZCOFJ-DAWZGUTISA-N 2 1 319.493 2.290 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317367334 1147696922 /nfs/dbraw/zinc/69/69/22/1147696922.db2.gz ZRIGFPGDUJXFJZ-ZWKOTPCHSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317367334 1147696924 /nfs/dbraw/zinc/69/69/24/1147696924.db2.gz ZRIGFPGDUJXFJZ-ZWKOTPCHSA-N 2 1 315.461 2.321 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317403675 1147701953 /nfs/dbraw/zinc/70/19/53/1147701953.db2.gz CROBQQSPYLIQOF-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318292420 1147807617 /nfs/dbraw/zinc/80/76/17/1147807617.db2.gz LIHFKXSLCSAMLQ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318292420 1147807619 /nfs/dbraw/zinc/80/76/19/1147807619.db2.gz LIHFKXSLCSAMLQ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318292420 1147807623 /nfs/dbraw/zinc/80/76/23/1147807623.db2.gz LIHFKXSLCSAMLQ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757770 1147840700 /nfs/dbraw/zinc/84/07/00/1147840700.db2.gz NSQJPGFYSPZBQC-YJBOKZPZSA-N 2 1 318.465 2.374 20 30 DEEDMP CN1CC[NH+]=C1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262689579 529778418 /nfs/dbraw/zinc/77/84/18/529778418.db2.gz ZUNIKGVHJPPTGF-SWLSCSKDSA-N 2 1 324.831 2.363 20 30 DEEDMP C[N@H+](CCCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306420 529881193 /nfs/dbraw/zinc/88/11/93/529881193.db2.gz YCLJHGYGUXDRLO-GOSISDBHSA-N 2 1 301.434 2.249 20 30 DEEDMP C[N@@H+](CCCCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306420 529881194 /nfs/dbraw/zinc/88/11/94/529881194.db2.gz YCLJHGYGUXDRLO-GOSISDBHSA-N 2 1 301.434 2.249 20 30 DEEDMP C[NH+](CCCCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188306420 529881195 /nfs/dbraw/zinc/88/11/95/529881195.db2.gz YCLJHGYGUXDRLO-GOSISDBHSA-N 2 1 301.434 2.249 20 30 DEEDMP C[NH+](CCCCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188306420 529881196 /nfs/dbraw/zinc/88/11/96/529881196.db2.gz YCLJHGYGUXDRLO-GOSISDBHSA-N 2 1 301.434 2.249 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NC1CC1 ZINC000262670280 530039131 /nfs/dbraw/zinc/03/91/31/530039131.db2.gz PDRZXJXBTOOJPM-SWLSCSKDSA-N 2 1 306.479 2.458 20 30 DEEDMP C[C@@H](CCC#N)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602625503 360463120 /nfs/dbraw/zinc/46/31/20/360463120.db2.gz QKEVRLPKTNDLEC-PKOBYXMFSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602625503 360463125 /nfs/dbraw/zinc/46/31/25/360463125.db2.gz QKEVRLPKTNDLEC-PKOBYXMFSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602625503 360463129 /nfs/dbraw/zinc/46/31/29/360463129.db2.gz QKEVRLPKTNDLEC-PKOBYXMFSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602625503 360463133 /nfs/dbraw/zinc/46/31/33/360463133.db2.gz QKEVRLPKTNDLEC-PKOBYXMFSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602770548 360543266 /nfs/dbraw/zinc/54/32/66/360543266.db2.gz UBXSXYWZKSJEOE-CALCHBBNSA-N 2 1 304.482 2.171 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602770548 360543270 /nfs/dbraw/zinc/54/32/70/360543270.db2.gz UBXSXYWZKSJEOE-CALCHBBNSA-N 2 1 304.482 2.171 20 30 DEEDMP C=CCCCCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093498031 193260367 /nfs/dbraw/zinc/26/03/67/193260367.db2.gz DQSQQYGMQDKODE-UHFFFAOYSA-N 2 1 317.481 2.407 20 30 DEEDMP C=CCCCCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093498031 193260369 /nfs/dbraw/zinc/26/03/69/193260369.db2.gz DQSQQYGMQDKODE-UHFFFAOYSA-N 2 1 317.481 2.407 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001354500960 1151898964 /nfs/dbraw/zinc/89/89/64/1151898964.db2.gz XEQOQFREWZJHIW-MSOLQXFVSA-N 2 1 315.461 2.369 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557614 133300358 /nfs/dbraw/zinc/30/03/58/133300358.db2.gz KJJKRJAPHURTIN-MSOLQXFVSA-N 2 1 309.369 2.140 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130471220 401832991 /nfs/dbraw/zinc/83/29/91/401832991.db2.gz YGTQLWWVXRQIMV-OAHLLOKOSA-N 2 1 306.454 2.327 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130471220 401832994 /nfs/dbraw/zinc/83/29/94/401832994.db2.gz YGTQLWWVXRQIMV-OAHLLOKOSA-N 2 1 306.454 2.327 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000106245126 402212769 /nfs/dbraw/zinc/21/27/69/402212769.db2.gz HANWQWFUWDQSAS-UHFFFAOYSA-N 2 1 313.449 2.407 20 30 DEEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160687460 402357259 /nfs/dbraw/zinc/35/72/59/402357259.db2.gz WTJMKYDJFWXESQ-JTQLQIEISA-N 2 1 316.327 2.406 20 30 DEEDMP CN(C(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187056403 402480222 /nfs/dbraw/zinc/48/02/22/402480222.db2.gz HRMCISZWKIDMPO-QGZVFWFLSA-N 2 1 300.450 2.306 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000171734960 402616950 /nfs/dbraw/zinc/61/69/50/402616950.db2.gz MDSPQAKWJRPKLF-INIZCTEOSA-N 2 1 322.497 2.056 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079815 402640780 /nfs/dbraw/zinc/64/07/80/402640780.db2.gz VRKIPKLVRNXTHP-CRAIPNDOSA-N 2 1 318.465 2.123 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079815 402640782 /nfs/dbraw/zinc/64/07/82/402640782.db2.gz VRKIPKLVRNXTHP-CRAIPNDOSA-N 2 1 318.465 2.123 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343924294 403794417 /nfs/dbraw/zinc/79/44/17/403794417.db2.gz MVONHOPJXYOJNG-QFBILLFUSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343924294 403794419 /nfs/dbraw/zinc/79/44/19/403794419.db2.gz MVONHOPJXYOJNG-QFBILLFUSA-N 2 1 312.461 2.016 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000305179265 403864808 /nfs/dbraw/zinc/86/48/08/403864808.db2.gz VXPCMZROKVNCHB-IAGOWNOFSA-N 2 1 319.474 2.477 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)C2 ZINC000329443709 404339323 /nfs/dbraw/zinc/33/93/23/404339323.db2.gz BYWIKTQNZUELHY-FPMFFAJLSA-N 2 1 302.422 2.336 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C3CC3)C1)C2 ZINC000329443709 404339325 /nfs/dbraw/zinc/33/93/25/404339325.db2.gz BYWIKTQNZUELHY-FPMFFAJLSA-N 2 1 302.422 2.336 20 30 DEEDMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000365403466 404648530 /nfs/dbraw/zinc/64/85/30/404648530.db2.gz MXASCZMJXZMSJJ-AWEZNQCLSA-N 2 1 320.462 2.364 20 30 DEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000365403466 404648534 /nfs/dbraw/zinc/64/85/34/404648534.db2.gz MXASCZMJXZMSJJ-AWEZNQCLSA-N 2 1 320.462 2.364 20 30 DEEDMP C=CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796928 404738057 /nfs/dbraw/zinc/73/80/57/404738057.db2.gz YDCJEPUHTFUOPJ-KRWDZBQOSA-N 2 1 316.445 2.439 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888366 404766689 /nfs/dbraw/zinc/76/66/89/404766689.db2.gz GNZLDPIWTUHWRW-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366230924 404776464 /nfs/dbraw/zinc/77/64/64/404776464.db2.gz CWKLPXXEEKBQMH-IEZWGBDMSA-N 2 1 314.429 2.212 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366230924 404776466 /nfs/dbraw/zinc/77/64/66/404776466.db2.gz CWKLPXXEEKBQMH-IEZWGBDMSA-N 2 1 314.429 2.212 20 30 DEEDMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424132783 405016510 /nfs/dbraw/zinc/01/65/10/405016510.db2.gz IQSLZAPPRNLTMG-CABCVRRESA-N 2 1 322.840 2.080 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439844177 405294107 /nfs/dbraw/zinc/29/41/07/405294107.db2.gz TZFYNSURQWYMFK-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759681 406237845 /nfs/dbraw/zinc/23/78/45/406237845.db2.gz GIOIXYNVUZFCBO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000569837434 406310453 /nfs/dbraw/zinc/31/04/53/406310453.db2.gz PVHMRXXNCVVPLZ-GOSISDBHSA-N 2 1 318.461 2.229 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000136583782 196542845 /nfs/dbraw/zinc/54/28/45/196542845.db2.gz HAINIRWYSWLKBL-IAGOWNOFSA-N 2 1 319.474 2.477 20 30 DEEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000195291238 225201188 /nfs/dbraw/zinc/20/11/88/225201188.db2.gz GVZCVCQQEGTIHC-MRXNPFEDSA-N 2 1 309.417 2.330 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000195291622 225201824 /nfs/dbraw/zinc/20/18/24/225201824.db2.gz SJZDZRFBCUHAGD-KRWDZBQOSA-N 2 1 300.450 2.309 20 30 DEEDMP CN(C)C(=[NH+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)N(C)C ZINC000262514601 225276393 /nfs/dbraw/zinc/27/63/93/225276393.db2.gz FTAWSVAXRHIDQB-UHFFFAOYSA-N 2 1 324.513 2.279 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897803 782028359 /nfs/dbraw/zinc/02/83/59/782028359.db2.gz XYISSGGORFDWBO-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000651700932 425143925 /nfs/dbraw/zinc/14/39/25/425143925.db2.gz ZTCLGKSIQNENFO-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877272 425754247 /nfs/dbraw/zinc/75/42/47/425754247.db2.gz HMXDOKYDBFUOPS-YJBOKZPZSA-N 2 1 305.466 2.208 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccccc1 ZINC000264134519 276118604 /nfs/dbraw/zinc/11/86/04/276118604.db2.gz UVVRNFDARNVEBX-GOEBONIOSA-N 2 1 306.454 2.009 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001329759432 1148988272 /nfs/dbraw/zinc/98/82/72/1148988272.db2.gz CAVGQOIEUSWDNC-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264070227 526282572 /nfs/dbraw/zinc/28/25/72/526282572.db2.gz DAIFAZJBZWNBMI-INIZCTEOSA-N 2 1 302.466 2.254 20 30 DEEDMP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264070229 526282647 /nfs/dbraw/zinc/28/26/47/526282647.db2.gz DAIFAZJBZWNBMI-MRXNPFEDSA-N 2 1 302.466 2.254 20 30 DEEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@@H]1CCc2ccccc21 ZINC000262501001 526367929 /nfs/dbraw/zinc/36/79/29/526367929.db2.gz KPOFEEPZECUJEP-INIZCTEOSA-N 2 1 311.433 2.087 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447950094 526435115 /nfs/dbraw/zinc/43/51/15/526435115.db2.gz FKAKHRWWBLMPFL-MRXNPFEDSA-N 2 1 322.497 2.056 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000337208476 526513847 /nfs/dbraw/zinc/51/38/47/526513847.db2.gz QSYWYUFJYJNMIZ-INMHGKMJSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000337208476 526513851 /nfs/dbraw/zinc/51/38/51/526513851.db2.gz QSYWYUFJYJNMIZ-INMHGKMJSA-N 2 1 305.466 2.016 20 30 DEEDMP CCNC(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)=[NH+]CC ZINC000264110482 528006569 /nfs/dbraw/zinc/00/65/69/528006569.db2.gz QQKVNXNGYHMHNL-KRWDZBQOSA-N 2 1 302.466 2.126 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293122 529074234 /nfs/dbraw/zinc/07/42/34/529074234.db2.gz DGKPJTKECZSSQZ-MRXNPFEDSA-N 2 1 311.433 2.123 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]12 ZINC001026359916 625352192 /nfs/dbraw/zinc/35/21/92/625352192.db2.gz HCPPSCRZXQHEIA-BRWVUGGUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310599 625436688 /nfs/dbraw/zinc/43/66/88/625436688.db2.gz UOHGOJIOFDWBJM-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144884 622588500 /nfs/dbraw/zinc/58/85/00/622588500.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144884 622588504 /nfs/dbraw/zinc/58/85/04/622588504.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000969144884 622588507 /nfs/dbraw/zinc/58/85/07/622588507.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144884 622588512 /nfs/dbraw/zinc/58/85/12/622588512.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000969144884 622588516 /nfs/dbraw/zinc/58/85/16/622588516.db2.gz VVULWUKBIXPGNV-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000924322626 623271792 /nfs/dbraw/zinc/27/17/92/623271792.db2.gz HPXIUQOSZJZLCZ-UHFFFAOYSA-N 2 1 304.438 2.240 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666389 623921935 /nfs/dbraw/zinc/92/19/35/623921935.db2.gz TVECMKGIJXJAIF-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100057 625135765 /nfs/dbraw/zinc/13/57/65/625135765.db2.gz SPQOHEWPBIDSPH-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100057 625135767 /nfs/dbraw/zinc/13/57/67/625135767.db2.gz SPQOHEWPBIDSPH-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100057 625135769 /nfs/dbraw/zinc/13/57/69/625135769.db2.gz SPQOHEWPBIDSPH-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998899295 634439504 /nfs/dbraw/zinc/43/95/04/634439504.db2.gz DVVPHAZKILHPGI-JXQTWKCFSA-N 2 1 322.840 2.092 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365189 625239630 /nfs/dbraw/zinc/23/96/30/625239630.db2.gz YZQNNRBEYHUMRO-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365189 625239634 /nfs/dbraw/zinc/23/96/34/625239634.db2.gz YZQNNRBEYHUMRO-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436422 625762262 /nfs/dbraw/zinc/76/22/62/625762262.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436422 625762269 /nfs/dbraw/zinc/76/22/69/625762269.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436422 625762275 /nfs/dbraw/zinc/76/22/75/625762275.db2.gz CVUBSWDMPQRPKY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000183426 634780801 /nfs/dbraw/zinc/78/08/01/634780801.db2.gz JUIYVMLIPIVGQG-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827839 633124396 /nfs/dbraw/zinc/12/43/96/633124396.db2.gz WXLATFTVYHBWRZ-CABCVRRESA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974581035 633162723 /nfs/dbraw/zinc/16/27/23/633162723.db2.gz VRCLDROZFUWOHR-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670216 633214974 /nfs/dbraw/zinc/21/49/74/633214974.db2.gz HGTOSYTYDSCQOY-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670216 633214979 /nfs/dbraw/zinc/21/49/79/633214979.db2.gz HGTOSYTYDSCQOY-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670146 633215154 /nfs/dbraw/zinc/21/51/54/633215154.db2.gz GVXZSWXDOSYMKX-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670146 633215158 /nfs/dbraw/zinc/21/51/58/633215158.db2.gz GVXZSWXDOSYMKX-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975107578 633422272 /nfs/dbraw/zinc/42/22/72/633422272.db2.gz HGCNJAZYVGWWOJ-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107578 633422275 /nfs/dbraw/zinc/42/22/75/633422275.db2.gz HGCNJAZYVGWWOJ-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107578 633422277 /nfs/dbraw/zinc/42/22/77/633422277.db2.gz HGCNJAZYVGWWOJ-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975107580 633422446 /nfs/dbraw/zinc/42/24/46/633422446.db2.gz HGCNJAZYVGWWOJ-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107580 633422448 /nfs/dbraw/zinc/42/24/48/633422448.db2.gz HGCNJAZYVGWWOJ-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107580 633422451 /nfs/dbraw/zinc/42/24/51/633422451.db2.gz HGCNJAZYVGWWOJ-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997083489 633569079 /nfs/dbraw/zinc/56/90/79/633569079.db2.gz KZUOTJVRURHDPE-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001027433191 633774897 /nfs/dbraw/zinc/77/48/97/633774897.db2.gz UOGQPMKOGMXWMH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433191 633774901 /nfs/dbraw/zinc/77/49/01/633774901.db2.gz UOGQPMKOGMXWMH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001027433191 633774908 /nfs/dbraw/zinc/77/49/08/633774908.db2.gz UOGQPMKOGMXWMH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027442133 633796181 /nfs/dbraw/zinc/79/61/81/633796181.db2.gz BCWWTRZOXWJJKU-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027442133 633796185 /nfs/dbraw/zinc/79/61/85/633796185.db2.gz BCWWTRZOXWJJKU-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027442133 633796192 /nfs/dbraw/zinc/79/61/92/633796192.db2.gz BCWWTRZOXWJJKU-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460475 633828556 /nfs/dbraw/zinc/82/85/56/633828556.db2.gz LPLWCWHKXFZDJQ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977437999 633981482 /nfs/dbraw/zinc/98/14/82/633981482.db2.gz GGTGWVXBIUXKBI-KRWDZBQOSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998049772 634124460 /nfs/dbraw/zinc/12/44/60/634124460.db2.gz JBSMOOWRMDPYSA-KRWDZBQOSA-N 2 1 324.428 2.284 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998103637 634142867 /nfs/dbraw/zinc/14/28/67/634142867.db2.gz BPYXTSINGVOVAG-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027930364 634997262 /nfs/dbraw/zinc/99/72/62/634997262.db2.gz OIGNPCJWFOXLNW-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930364 634997265 /nfs/dbraw/zinc/99/72/65/634997265.db2.gz OIGNPCJWFOXLNW-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930364 634997267 /nfs/dbraw/zinc/99/72/67/634997267.db2.gz OIGNPCJWFOXLNW-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477389 635015948 /nfs/dbraw/zinc/01/59/48/635015948.db2.gz GGSWSDJUNXJWQA-HNNXBMFYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477389 635015952 /nfs/dbraw/zinc/01/59/52/635015952.db2.gz GGSWSDJUNXJWQA-HNNXBMFYSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027982455 635160001 /nfs/dbraw/zinc/16/00/01/635160001.db2.gz RCHGIIHTDAMOMY-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000374647 635162881 /nfs/dbraw/zinc/16/28/81/635162881.db2.gz WEKWFGJAIYVKNE-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985568 635168708 /nfs/dbraw/zinc/16/87/08/635168708.db2.gz LDGQVPJTZAUAEP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985568 635168711 /nfs/dbraw/zinc/16/87/11/635168711.db2.gz LDGQVPJTZAUAEP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000839386 635318577 /nfs/dbraw/zinc/31/85/77/635318577.db2.gz DUWVBXNUCZNXEO-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001000839386 635318585 /nfs/dbraw/zinc/31/85/85/635318585.db2.gz DUWVBXNUCZNXEO-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001000839386 635318590 /nfs/dbraw/zinc/31/85/90/635318590.db2.gz DUWVBXNUCZNXEO-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000882426 635329294 /nfs/dbraw/zinc/32/92/94/635329294.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000882426 635329300 /nfs/dbraw/zinc/32/93/00/635329300.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000882426 635329309 /nfs/dbraw/zinc/32/93/09/635329309.db2.gz BDUYGGCHQBPSCR-QGZVFWFLSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000981365668 635454475 /nfs/dbraw/zinc/45/44/75/635454475.db2.gz UUKOMEGOKIQIMS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000981365668 635454477 /nfs/dbraw/zinc/45/44/77/635454477.db2.gz UUKOMEGOKIQIMS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC000981365668 635454480 /nfs/dbraw/zinc/45/44/80/635454480.db2.gz UUKOMEGOKIQIMS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(C)(C)C)CC1 ZINC000981365668 635454482 /nfs/dbraw/zinc/45/44/82/635454482.db2.gz UUKOMEGOKIQIMS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001324158 635463476 /nfs/dbraw/zinc/46/34/76/635463476.db2.gz GHAJAZSJSPXDGH-UHFFFAOYSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001426265 635495977 /nfs/dbraw/zinc/49/59/77/635495977.db2.gz VDEUNZMJDPAQIC-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911801 635574509 /nfs/dbraw/zinc/57/45/09/635574509.db2.gz PRYOKESHZOVFOX-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982112800 635874044 /nfs/dbraw/zinc/87/40/44/635874044.db2.gz FCWXRMLEMRGTNS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982112800 635874049 /nfs/dbraw/zinc/87/40/49/635874049.db2.gz FCWXRMLEMRGTNS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982112800 635874053 /nfs/dbraw/zinc/87/40/53/635874053.db2.gz FCWXRMLEMRGTNS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160968 635893000 /nfs/dbraw/zinc/89/30/00/635893000.db2.gz IASPTOLTNXDBQU-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941337 636090044 /nfs/dbraw/zinc/09/00/44/636090044.db2.gz YUDMMYPFYXTIIQ-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003939804 636091797 /nfs/dbraw/zinc/09/17/97/636091797.db2.gz BKOFJHQWSFFJJT-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541661 636327173 /nfs/dbraw/zinc/32/71/73/636327173.db2.gz CWLHTHYFXVUKMF-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541661 636327175 /nfs/dbraw/zinc/32/71/75/636327175.db2.gz CWLHTHYFXVUKMF-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541661 636327181 /nfs/dbraw/zinc/32/71/81/636327181.db2.gz CWLHTHYFXVUKMF-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005384274 636727730 /nfs/dbraw/zinc/72/77/30/636727730.db2.gz KZAIPKIKNSIODN-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005416241 636734045 /nfs/dbraw/zinc/73/40/45/636734045.db2.gz RINXFEZHJFTQAJ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000923413228 637166960 /nfs/dbraw/zinc/16/69/60/637166960.db2.gz FAQPFEJXLBBZOY-SJLPKXTDSA-N 2 1 301.434 2.289 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985636204 639552902 /nfs/dbraw/zinc/55/29/02/639552902.db2.gz DUYVHSCBIOUBNC-OAHLLOKOSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000985802749 639644935 /nfs/dbraw/zinc/64/49/35/639644935.db2.gz WYLPZXQTALWDQM-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985804367 639645189 /nfs/dbraw/zinc/64/51/89/639645189.db2.gz NGAURALSVQVYEU-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000764614155 640663681 /nfs/dbraw/zinc/66/36/81/640663681.db2.gz TVJHOLTZFABUEA-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000900065522 642254423 /nfs/dbraw/zinc/25/44/23/642254423.db2.gz KTULMAYMTFCGGY-QGZVFWFLSA-N 2 1 301.434 2.010 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000900065522 642254426 /nfs/dbraw/zinc/25/44/26/642254426.db2.gz KTULMAYMTFCGGY-QGZVFWFLSA-N 2 1 301.434 2.010 20 30 DEEDMP CC(=NN1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779750894 642532780 /nfs/dbraw/zinc/53/27/80/642532780.db2.gz ADXLHICUIJIKCA-SFHVURJKSA-N 2 1 300.450 2.132 20 30 DEEDMP CC(=NN1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779750894 642532782 /nfs/dbraw/zinc/53/27/82/642532782.db2.gz ADXLHICUIJIKCA-SFHVURJKSA-N 2 1 300.450 2.132 20 30 DEEDMP N#CC1(CCCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CCC1 ZINC000903746900 643445784 /nfs/dbraw/zinc/44/57/84/643445784.db2.gz NFKIHMJFGQNSQO-MRXNPFEDSA-N 2 1 320.481 2.170 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000908230552 644788913 /nfs/dbraw/zinc/78/89/13/644788913.db2.gz PCCKNMIOFWIHMD-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175078 646886318 /nfs/dbraw/zinc/88/63/18/646886318.db2.gz TUGWZURDTPRTEB-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175078 646886320 /nfs/dbraw/zinc/88/63/20/646886320.db2.gz TUGWZURDTPRTEB-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992821438 647281444 /nfs/dbraw/zinc/28/14/44/647281444.db2.gz VJLQGDWTRGUZIM-IXDOHACOSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000818612247 647488536 /nfs/dbraw/zinc/48/85/36/647488536.db2.gz PVRVJYPEXHZYPT-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993501610 647681384 /nfs/dbraw/zinc/68/13/84/647681384.db2.gz LVTWBRMXALJMLR-CRAIPNDOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993534124 647692146 /nfs/dbraw/zinc/69/21/46/647692146.db2.gz SBHHCELQBKAZLK-WMLDXEAASA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993619007 647707709 /nfs/dbraw/zinc/70/77/09/647707709.db2.gz WCUOAIIERDDLFU-RHSMWYFYSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@H](C)C2)CC1 ZINC000948069524 648327208 /nfs/dbraw/zinc/32/72/08/648327208.db2.gz IGUWHHNCPUSZIU-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026839 648988266 /nfs/dbraw/zinc/98/82/66/648988266.db2.gz OPJFPMUAHBLCSB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026839 648988270 /nfs/dbraw/zinc/98/82/70/648988270.db2.gz OPJFPMUAHBLCSB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026839 648988271 /nfs/dbraw/zinc/98/82/71/648988271.db2.gz OPJFPMUAHBLCSB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215923 649021666 /nfs/dbraw/zinc/02/16/66/649021666.db2.gz BKHDNDJTZWFYAI-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215923 649021668 /nfs/dbraw/zinc/02/16/68/649021668.db2.gz BKHDNDJTZWFYAI-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215923 649021670 /nfs/dbraw/zinc/02/16/70/649021670.db2.gz BKHDNDJTZWFYAI-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236958 649028431 /nfs/dbraw/zinc/02/84/31/649028431.db2.gz DLFAPPQAFPOEQT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236958 649028434 /nfs/dbraw/zinc/02/84/34/649028434.db2.gz DLFAPPQAFPOEQT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236958 649028436 /nfs/dbraw/zinc/02/84/36/649028436.db2.gz DLFAPPQAFPOEQT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942173941 649174622 /nfs/dbraw/zinc/17/46/22/649174622.db2.gz SNSJYXRTVHIOCO-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558223 649244363 /nfs/dbraw/zinc/24/43/63/649244363.db2.gz TZXUZRRAMKOIJJ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287171 649358342 /nfs/dbraw/zinc/35/83/42/649358342.db2.gz IVKKHPVSWVLRRJ-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943879297 649447535 /nfs/dbraw/zinc/44/75/35/649447535.db2.gz VCLMINQLXCBXEI-DOTOQJQBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092274 649611403 /nfs/dbraw/zinc/61/14/03/649611403.db2.gz QCZOEXONTYFAGN-YJBOKZPZSA-N 2 1 315.461 2.374 20 30 DEEDMP C#C[C@@](C)(CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000854704376 651540984 /nfs/dbraw/zinc/54/09/84/651540984.db2.gz RCDWGYAZCYSRDE-IBGZPJMESA-N 2 1 319.493 2.101 20 30 DEEDMP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000849000022 651577576 /nfs/dbraw/zinc/57/75/76/651577576.db2.gz HCDKTTNDZJFDHT-HZPDHXFCSA-N 2 1 310.486 2.324 20 30 DEEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC#N)C2)ccn1 ZINC000856583357 651954508 /nfs/dbraw/zinc/95/45/08/651954508.db2.gz FVMJTDYZUCPFBQ-KRWDZBQOSA-N 2 1 302.422 2.290 20 30 DEEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC#N)C2)ccn1 ZINC000856583357 651954512 /nfs/dbraw/zinc/95/45/12/651954512.db2.gz FVMJTDYZUCPFBQ-KRWDZBQOSA-N 2 1 302.422 2.290 20 30 DEEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC#N)C2)ccn1 ZINC000856583357 651954514 /nfs/dbraw/zinc/95/45/14/651954514.db2.gz FVMJTDYZUCPFBQ-KRWDZBQOSA-N 2 1 302.422 2.290 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001393787058 1157979751 /nfs/dbraw/zinc/97/97/51/1157979751.db2.gz LODTXAQDLLZRNO-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000305020842 685264831 /nfs/dbraw/zinc/26/48/31/685264831.db2.gz NVXMLTDOFNVJNZ-CQSZACIVSA-N 2 1 304.438 2.400 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176783 684058284 /nfs/dbraw/zinc/05/82/84/684058284.db2.gz LOHFNXRVNNSZIN-QGZVFWFLSA-N 2 1 302.466 2.235 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129743 693856380 /nfs/dbraw/zinc/85/63/80/693856380.db2.gz YOYJDFGCNZLUNY-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129743 693856383 /nfs/dbraw/zinc/85/63/83/693856383.db2.gz YOYJDFGCNZLUNY-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129743 693856385 /nfs/dbraw/zinc/85/63/85/693856385.db2.gz YOYJDFGCNZLUNY-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148523 693863198 /nfs/dbraw/zinc/86/31/98/693863198.db2.gz PDTRJKYTAOWKLH-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187473 693875186 /nfs/dbraw/zinc/87/51/86/693875186.db2.gz SDXSVZVWGHZLTP-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198530 693878704 /nfs/dbraw/zinc/87/87/04/693878704.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198530 693878707 /nfs/dbraw/zinc/87/87/07/693878707.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198530 693878710 /nfs/dbraw/zinc/87/87/10/693878710.db2.gz ZEDIIAHDFVRSTN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245063 693899226 /nfs/dbraw/zinc/89/92/26/693899226.db2.gz NYEDVITWOXXTEH-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303771959 685232998 /nfs/dbraw/zinc/23/29/98/685232998.db2.gz DCSDKQKGIRMVNK-KRWDZBQOSA-N 2 1 318.465 2.387 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789082 685235173 /nfs/dbraw/zinc/23/51/73/685235173.db2.gz VAWGODCHQSVNHB-KRWDZBQOSA-N 2 1 314.477 2.497 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789648 685235283 /nfs/dbraw/zinc/23/52/83/685235283.db2.gz VLVVSEMCBHCWAC-HNNXBMFYSA-N 2 1 320.506 2.476 20 30 DEEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000303876187 685236651 /nfs/dbraw/zinc/23/66/51/685236651.db2.gz DTYMIXGTASLANY-UHFFFAOYSA-N 2 1 320.481 2.358 20 30 DEEDMP CCOc1ccccc1CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303990095 685243100 /nfs/dbraw/zinc/24/31/00/685243100.db2.gz YFFXJVPYNWRIEY-MRXNPFEDSA-N 2 1 318.465 2.016 20 30 DEEDMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)C[NH+]1CCCC1 ZINC000865418697 687204422 /nfs/dbraw/zinc/20/44/22/687204422.db2.gz OCYVIALFMUAKIN-OAHLLOKOSA-N 2 1 300.450 2.446 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662533 687677548 /nfs/dbraw/zinc/67/75/48/687677548.db2.gz KLONDYLSLBMASZ-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016686963 687682432 /nfs/dbraw/zinc/68/24/32/687682432.db2.gz FJSHSBUHYPSAFG-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828193 687712252 /nfs/dbraw/zinc/71/22/52/687712252.db2.gz DLOTVFPLKGBYDT-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765648 687955913 /nfs/dbraw/zinc/95/59/13/687955913.db2.gz KLINYHVZCYZFAJ-FGTMMUONSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765648 687955919 /nfs/dbraw/zinc/95/59/19/687955919.db2.gz KLINYHVZCYZFAJ-FGTMMUONSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052974 688040132 /nfs/dbraw/zinc/04/01/32/688040132.db2.gz UQZBYPQELNLPOK-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018052974 688040136 /nfs/dbraw/zinc/04/01/36/688040136.db2.gz UQZBYPQELNLPOK-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018052974 688040144 /nfs/dbraw/zinc/04/01/44/688040144.db2.gz UQZBYPQELNLPOK-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018052974 688040151 /nfs/dbraw/zinc/04/01/51/688040151.db2.gz UQZBYPQELNLPOK-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026492398 688528685 /nfs/dbraw/zinc/52/86/85/688528685.db2.gz LAXLHUKFZOGTDN-JCYILVPMSA-N 2 1 307.482 2.452 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000872251976 688964662 /nfs/dbraw/zinc/96/46/62/688964662.db2.gz WAMZTWFJSJDZFK-WDSOQIARSA-N 2 1 300.446 2.261 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000872251976 688964663 /nfs/dbraw/zinc/96/46/63/688964663.db2.gz WAMZTWFJSJDZFK-WDSOQIARSA-N 2 1 300.446 2.261 20 30 DEEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918367 689020462 /nfs/dbraw/zinc/02/04/62/689020462.db2.gz IJLGAHWPEDHIGU-QGZVFWFLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032445079 689153638 /nfs/dbraw/zinc/15/36/38/689153638.db2.gz UTVVPUWZAFTAHV-JYJNAYRXSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032445079 689153640 /nfs/dbraw/zinc/15/36/40/689153640.db2.gz UTVVPUWZAFTAHV-JYJNAYRXSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145576 689403650 /nfs/dbraw/zinc/40/36/50/689403650.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145576 689403653 /nfs/dbraw/zinc/40/36/53/689403653.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145576 689403656 /nfs/dbraw/zinc/40/36/56/689403656.db2.gz IGFHBOBGHLOKIE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153502 689406899 /nfs/dbraw/zinc/40/68/99/689406899.db2.gz VSCKJXPRBDFMKY-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153502 689406901 /nfs/dbraw/zinc/40/69/01/689406901.db2.gz VSCKJXPRBDFMKY-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213522 689427753 /nfs/dbraw/zinc/42/77/53/689427753.db2.gz KLSLPDXKLCIWGF-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033230369 689433047 /nfs/dbraw/zinc/43/30/47/689433047.db2.gz MXQTVLHFJXJHKG-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470654 689513754 /nfs/dbraw/zinc/51/37/54/689513754.db2.gz BYKXTXCPIVKIMN-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470654 689513756 /nfs/dbraw/zinc/51/37/56/689513756.db2.gz BYKXTXCPIVKIMN-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470654 689513760 /nfs/dbraw/zinc/51/37/60/689513760.db2.gz BYKXTXCPIVKIMN-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685503 689583113 /nfs/dbraw/zinc/58/31/13/689583113.db2.gz UQNDVZPQLFAPEP-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033684685 689583389 /nfs/dbraw/zinc/58/33/89/689583389.db2.gz HGAJTNDFMHOIDA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033684685 689583391 /nfs/dbraw/zinc/58/33/91/689583391.db2.gz HGAJTNDFMHOIDA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033684685 689583394 /nfs/dbraw/zinc/58/33/94/689583394.db2.gz HGAJTNDFMHOIDA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033991207 689685602 /nfs/dbraw/zinc/68/56/02/689685602.db2.gz GNEBITKBTLEEAQ-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211807 689764947 /nfs/dbraw/zinc/76/49/47/689764947.db2.gz OPVJFGCBMRJEDM-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217038 689766959 /nfs/dbraw/zinc/76/69/59/689766959.db2.gz OHBFCMHFQQWKHK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217038 689766961 /nfs/dbraw/zinc/76/69/61/689766961.db2.gz OHBFCMHFQQWKHK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217038 689766962 /nfs/dbraw/zinc/76/69/62/689766962.db2.gz OHBFCMHFQQWKHK-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034241471 689777535 /nfs/dbraw/zinc/77/75/35/689777535.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241471 689777537 /nfs/dbraw/zinc/77/75/37/689777537.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241471 689777541 /nfs/dbraw/zinc/77/75/41/689777541.db2.gz XVZGZXVPZINEHI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437527 689850643 /nfs/dbraw/zinc/85/06/43/689850643.db2.gz GXAQCTAUYKXXOG-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474429 689863764 /nfs/dbraw/zinc/86/37/64/689863764.db2.gz KVLFSHNFFBMHSH-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486565 689869808 /nfs/dbraw/zinc/86/98/08/689869808.db2.gz BGXRHKIQJSPJPC-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486565 689869809 /nfs/dbraw/zinc/86/98/09/689869809.db2.gz BGXRHKIQJSPJPC-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486565 689869813 /nfs/dbraw/zinc/86/98/13/689869813.db2.gz BGXRHKIQJSPJPC-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034485666 689869886 /nfs/dbraw/zinc/86/98/86/689869886.db2.gz SNFDQIWKAJMASV-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034485666 689869891 /nfs/dbraw/zinc/86/98/91/689869891.db2.gz SNFDQIWKAJMASV-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000876735237 689920517 /nfs/dbraw/zinc/92/05/17/689920517.db2.gz BZLIZZYKCAYZQX-KBMXLJTQSA-N 2 1 321.852 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035194238 690056067 /nfs/dbraw/zinc/05/60/67/690056067.db2.gz XAOSQTUJPSSCTA-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254597 690075181 /nfs/dbraw/zinc/07/51/81/690075181.db2.gz MSQMTHVYFTXOLL-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810695 690182962 /nfs/dbraw/zinc/18/29/62/690182962.db2.gz PUTBKAFRPSTECF-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001036056928 690248549 /nfs/dbraw/zinc/24/85/49/690248549.db2.gz WTNDQCSOKMVEEM-DOMZBBRYSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000878090610 690307140 /nfs/dbraw/zinc/30/71/40/690307140.db2.gz YWUPWTFREGOEAB-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896813 690519631 /nfs/dbraw/zinc/51/96/31/690519631.db2.gz UTXZJRGSQGEGFD-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896813 690519634 /nfs/dbraw/zinc/51/96/34/690519634.db2.gz UTXZJRGSQGEGFD-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039386070 691095000 /nfs/dbraw/zinc/09/50/00/691095000.db2.gz WFKYLKSJQDRJNL-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039386070 691095004 /nfs/dbraw/zinc/09/50/04/691095004.db2.gz WFKYLKSJQDRJNL-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039386070 691095008 /nfs/dbraw/zinc/09/50/08/691095008.db2.gz WFKYLKSJQDRJNL-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242299 /nfs/dbraw/zinc/24/22/99/691242299.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242302 /nfs/dbraw/zinc/24/23/02/691242302.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396974 691242303 /nfs/dbraw/zinc/24/23/03/691242303.db2.gz XLMSIGXEFNGWEQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530653 691261486 /nfs/dbraw/zinc/26/14/86/691261486.db2.gz FSLJJVZAZZAAOU-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530653 691261487 /nfs/dbraw/zinc/26/14/87/691261487.db2.gz FSLJJVZAZZAAOU-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040848603 691292574 /nfs/dbraw/zinc/29/25/74/691292574.db2.gz LYLMNYWGWNIMLL-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041307015 691358556 /nfs/dbraw/zinc/35/85/56/691358556.db2.gz MKLAURNOOMZXIV-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307015 691358558 /nfs/dbraw/zinc/35/85/58/691358558.db2.gz MKLAURNOOMZXIV-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041307015 691358561 /nfs/dbraw/zinc/35/85/61/691358561.db2.gz MKLAURNOOMZXIV-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409514 /nfs/dbraw/zinc/40/95/14/691409514.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409517 /nfs/dbraw/zinc/40/95/17/691409517.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679843 691409521 /nfs/dbraw/zinc/40/95/21/691409521.db2.gz OZZKDZZTXKGLFU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041844627 691444333 /nfs/dbraw/zinc/44/43/33/691444333.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844627 691444337 /nfs/dbraw/zinc/44/43/37/691444337.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844627 691444339 /nfs/dbraw/zinc/44/43/39/691444339.db2.gz BIQHNEFQGFVNGE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844583 691444631 /nfs/dbraw/zinc/44/46/31/691444631.db2.gz LRGRTPVDMPUDSZ-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186612 691532154 /nfs/dbraw/zinc/53/21/54/691532154.db2.gz IPQCRJUECCLWAJ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045478986 691987154 /nfs/dbraw/zinc/98/71/54/691987154.db2.gz LVDWCEFPEUPKOK-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943709 692058624 /nfs/dbraw/zinc/05/86/24/692058624.db2.gz NCJQUEFWXROTJE-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319948 692152716 /nfs/dbraw/zinc/15/27/16/692152716.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319948 692152718 /nfs/dbraw/zinc/15/27/18/692152718.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319948 692152721 /nfs/dbraw/zinc/15/27/21/692152721.db2.gz YXKXWIUANBGSMO-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046740544 692279934 /nfs/dbraw/zinc/27/99/34/692279934.db2.gz ALYSZJZODPOMQH-GOSISDBHSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761502 692290547 /nfs/dbraw/zinc/29/05/47/692290547.db2.gz WAESYIKGCUNWLE-IBGZPJMESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226969 692397887 /nfs/dbraw/zinc/39/78/87/692397887.db2.gz BTMGNZXIJKGVBJ-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538233 692642127 /nfs/dbraw/zinc/64/21/27/692642127.db2.gz NCTRRWKUOLXPFE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538233 692642129 /nfs/dbraw/zinc/64/21/29/692642129.db2.gz NCTRRWKUOLXPFE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538233 692642131 /nfs/dbraw/zinc/64/21/31/692642131.db2.gz NCTRRWKUOLXPFE-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048913498 692721150 /nfs/dbraw/zinc/72/11/50/692721150.db2.gz FQEWBZYFXXGVRP-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913498 692721152 /nfs/dbraw/zinc/72/11/52/692721152.db2.gz FQEWBZYFXXGVRP-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913498 692721157 /nfs/dbraw/zinc/72/11/57/692721157.db2.gz FQEWBZYFXXGVRP-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049656037 692955939 /nfs/dbraw/zinc/95/59/39/692955939.db2.gz UFPZATAGAPWOJI-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656037 692955942 /nfs/dbraw/zinc/95/59/42/692955942.db2.gz UFPZATAGAPWOJI-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656037 692955944 /nfs/dbraw/zinc/95/59/44/692955944.db2.gz UFPZATAGAPWOJI-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049717294 692974010 /nfs/dbraw/zinc/97/40/10/692974010.db2.gz HYBYTWRSQRSYPS-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717294 692974013 /nfs/dbraw/zinc/97/40/13/692974013.db2.gz HYBYTWRSQRSYPS-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049717294 692974017 /nfs/dbraw/zinc/97/40/17/692974017.db2.gz HYBYTWRSQRSYPS-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049915121 693047329 /nfs/dbraw/zinc/04/73/29/693047329.db2.gz SOYWJBWRQGUYGR-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125510 693114649 /nfs/dbraw/zinc/11/46/49/693114649.db2.gz ZLCGCECGRDBGPH-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125510 693114651 /nfs/dbraw/zinc/11/46/51/693114651.db2.gz ZLCGCECGRDBGPH-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050125510 693114653 /nfs/dbraw/zinc/11/46/53/693114653.db2.gz ZLCGCECGRDBGPH-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521064 693199600 /nfs/dbraw/zinc/19/96/00/693199600.db2.gz UCDLPWCPTFAXOD-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000925894256 693361586 /nfs/dbraw/zinc/36/15/86/693361586.db2.gz VPVVTJHYXNQNDC-QZTJIDSGSA-N 2 1 321.428 2.448 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052370016 693517184 /nfs/dbraw/zinc/51/71/84/693517184.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370016 693517185 /nfs/dbraw/zinc/51/71/85/693517185.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370016 693517188 /nfs/dbraw/zinc/51/71/88/693517188.db2.gz XVPOWXHVAGSLGT-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384209 693520970 /nfs/dbraw/zinc/52/09/70/693520970.db2.gz AZGVONXWMUOFHE-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393496 693523501 /nfs/dbraw/zinc/52/35/01/693523501.db2.gz MCULXAJHBCNTEP-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393496 693523505 /nfs/dbraw/zinc/52/35/05/693523505.db2.gz MCULXAJHBCNTEP-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393496 693523509 /nfs/dbraw/zinc/52/35/09/693523509.db2.gz MCULXAJHBCNTEP-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446938 693537383 /nfs/dbraw/zinc/53/73/83/693537383.db2.gz UCOXSEMWXQWNAV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446938 693537385 /nfs/dbraw/zinc/53/73/85/693537385.db2.gz UCOXSEMWXQWNAV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446938 693537386 /nfs/dbraw/zinc/53/73/86/693537386.db2.gz UCOXSEMWXQWNAV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486811 693546223 /nfs/dbraw/zinc/54/62/23/693546223.db2.gz PCVFVBNVJKAUMS-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052562118 693568878 /nfs/dbraw/zinc/56/88/78/693568878.db2.gz KIVILBFGUPVARK-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052562118 693568883 /nfs/dbraw/zinc/56/88/83/693568883.db2.gz KIVILBFGUPVARK-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619878 693581321 /nfs/dbraw/zinc/58/13/21/693581321.db2.gz JXYSKVWMIONBBR-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717522 693603111 /nfs/dbraw/zinc/60/31/11/693603111.db2.gz WJFNHCOJPNVRDX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717522 693603114 /nfs/dbraw/zinc/60/31/14/693603114.db2.gz WJFNHCOJPNVRDX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717522 693603115 /nfs/dbraw/zinc/60/31/15/693603115.db2.gz WJFNHCOJPNVRDX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764440 693615052 /nfs/dbraw/zinc/61/50/52/693615052.db2.gz PIBCIUZOUPKMHI-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001402384624 1162339269 /nfs/dbraw/zinc/33/92/69/1162339269.db2.gz UPHUULNUAFHRCB-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001381994887 1153309319 /nfs/dbraw/zinc/30/93/19/1153309319.db2.gz GHIFXPRYPMPBFL-RBSFLKMASA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001382514679 1153459636 /nfs/dbraw/zinc/45/96/36/1153459636.db2.gz DSFFHCULKLJXEX-CQSZACIVSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001403271846 1162833320 /nfs/dbraw/zinc/83/33/20/1162833320.db2.gz WMXRZYFVWCYUAT-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001374330560 1157815030 /nfs/dbraw/zinc/81/50/30/1157815030.db2.gz QIKICOSGNRIITL-GOEBONIOSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C[C@@H]1C ZINC001393787058 1157979733 /nfs/dbraw/zinc/97/97/33/1157979733.db2.gz LODTXAQDLLZRNO-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001393787058 1157979739 /nfs/dbraw/zinc/97/97/39/1157979739.db2.gz LODTXAQDLLZRNO-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001393787058 1157979743 /nfs/dbraw/zinc/97/97/43/1157979743.db2.gz LODTXAQDLLZRNO-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001405862872 1164298211 /nfs/dbraw/zinc/29/82/11/1164298211.db2.gz JVASGBXUIUJGQN-CYBMUJFWSA-N 2 1 303.878 2.153 20 30 DEEDMP C=C(Cl)CN1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001418654406 1167865849 /nfs/dbraw/zinc/86/58/49/1167865849.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001418654406 1167865856 /nfs/dbraw/zinc/86/58/56/1167865856.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001418654406 1167865859 /nfs/dbraw/zinc/86/58/59/1167865859.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418654406 1167865863 /nfs/dbraw/zinc/86/58/63/1167865863.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418654406 1167865867 /nfs/dbraw/zinc/86/58/67/1167865867.db2.gz AZNCZIGGSUOKMD-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCC1 ZINC001419622291 1168698188 /nfs/dbraw/zinc/69/81/88/1168698188.db2.gz BTMUKUBBBZPLBB-UHFFFAOYSA-N 2 1 301.862 2.099 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001420919058 1171347665 /nfs/dbraw/zinc/34/76/65/1171347665.db2.gz BBFPNYBRLILJCT-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001421432305 1171793999 /nfs/dbraw/zinc/79/39/99/1171793999.db2.gz NRDPCMSEZMCSIG-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001423017154 1173018425 /nfs/dbraw/zinc/01/84/25/1173018425.db2.gz WOJPSFOYJRZNRO-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437354442 1179752919 /nfs/dbraw/zinc/75/29/19/1179752919.db2.gz YYUCQNSRPNWDGY-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437354442 1179752930 /nfs/dbraw/zinc/75/29/30/1179752930.db2.gz YYUCQNSRPNWDGY-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001439858283 1181276537 /nfs/dbraw/zinc/27/65/37/1181276537.db2.gz MNZSCSXHJYZXAK-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001439858283 1181276543 /nfs/dbraw/zinc/27/65/43/1181276543.db2.gz MNZSCSXHJYZXAK-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439858283 1181276545 /nfs/dbraw/zinc/27/65/45/1181276545.db2.gz MNZSCSXHJYZXAK-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439858283 1181276550 /nfs/dbraw/zinc/27/65/50/1181276550.db2.gz MNZSCSXHJYZXAK-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001440243624 1181400032 /nfs/dbraw/zinc/40/00/32/1181400032.db2.gz ULKYBLSPNKDXDL-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001440742264 1181668766 /nfs/dbraw/zinc/66/87/66/1181668766.db2.gz YIYMFFJEEIXBBX-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001440742264 1181668779 /nfs/dbraw/zinc/66/87/79/1181668779.db2.gz YIYMFFJEEIXBBX-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001440742264 1181668783 /nfs/dbraw/zinc/66/87/83/1181668783.db2.gz YIYMFFJEEIXBBX-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001440742264 1181668789 /nfs/dbraw/zinc/66/87/89/1181668789.db2.gz YIYMFFJEEIXBBX-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001440742264 1181668799 /nfs/dbraw/zinc/66/87/99/1181668799.db2.gz YIYMFFJEEIXBBX-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001444373608 1183362557 /nfs/dbraw/zinc/36/25/57/1183362557.db2.gz ICYPXRCEUVCDBB-UKRRQHHQSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001444823105 1183571405 /nfs/dbraw/zinc/57/14/05/1183571405.db2.gz CPBISGAXWPOWAX-KBPBESRZSA-N 2 1 324.856 2.312 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444880886 1183616966 /nfs/dbraw/zinc/61/69/66/1183616966.db2.gz AJBZHYCZAJVTPI-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001447891857 1184925655 /nfs/dbraw/zinc/92/56/55/1184925655.db2.gz GHAFLMRMWZFQCI-QWHCGFSZSA-N 2 1 312.845 2.207 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001330614290 1149212400 /nfs/dbraw/zinc/21/24/00/1149212400.db2.gz SJQHUCAIWNMYMN-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001406176824 1164493469 /nfs/dbraw/zinc/49/34/69/1164493469.db2.gz FNMSPAAVPRNGCW-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001406176824 1164493471 /nfs/dbraw/zinc/49/34/71/1164493471.db2.gz FNMSPAAVPRNGCW-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001406176824 1164493473 /nfs/dbraw/zinc/49/34/73/1164493473.db2.gz FNMSPAAVPRNGCW-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001492965629 1165214410 /nfs/dbraw/zinc/21/44/10/1165214410.db2.gz LTGGWCJSCCUKDD-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001492965629 1165214426 /nfs/dbraw/zinc/21/44/26/1165214426.db2.gz LTGGWCJSCCUKDD-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C[NH+](C)Cc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1Cl ZINC001333276048 1150023955 /nfs/dbraw/zinc/02/39/55/1150023955.db2.gz IFCBHIRMISHRRY-UHFFFAOYSA-N 2 1 319.836 2.343 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730929 782896972 /nfs/dbraw/zinc/89/69/72/782896972.db2.gz XGTWWTIQVMWBRH-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036797 790408671 /nfs/dbraw/zinc/40/86/71/790408671.db2.gz KGMBHXCFRXJXFR-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167224251 776780460 /nfs/dbraw/zinc/78/04/60/776780460.db2.gz IBCBWTXPGVHPMB-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288047 776899425 /nfs/dbraw/zinc/89/94/25/776899425.db2.gz RRSSPWUFJXUMIV-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001167385935 776979643 /nfs/dbraw/zinc/97/96/43/776979643.db2.gz ZILUBBOYODMLRV-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397002 777660399 /nfs/dbraw/zinc/66/03/99/777660399.db2.gz BJZYPVPDPTVTGH-ROUUACIJSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593751 779370453 /nfs/dbraw/zinc/37/04/53/779370453.db2.gz UVAKMBHTJZHXAI-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593751 779370459 /nfs/dbraw/zinc/37/04/59/779370459.db2.gz UVAKMBHTJZHXAI-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593751 779370463 /nfs/dbraw/zinc/37/04/63/779370463.db2.gz UVAKMBHTJZHXAI-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621158 779382404 /nfs/dbraw/zinc/38/24/04/779382404.db2.gz JYKRTCZBZZYJOK-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985469916 779853331 /nfs/dbraw/zinc/85/33/31/779853331.db2.gz LAYZJINSPZDSGS-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985469916 779853338 /nfs/dbraw/zinc/85/33/38/779853338.db2.gz LAYZJINSPZDSGS-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985469916 779853341 /nfs/dbraw/zinc/85/33/41/779853341.db2.gz LAYZJINSPZDSGS-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367152 780028461 /nfs/dbraw/zinc/02/84/61/780028461.db2.gz CNUYTDSVDBEVIN-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413317 780087893 /nfs/dbraw/zinc/08/78/93/780087893.db2.gz CSCWEOPTIUSKAI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029723 790840120 /nfs/dbraw/zinc/84/01/20/790840120.db2.gz UDSGGHJMOVGMJA-CGZBRXJRSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948242487 783388575 /nfs/dbraw/zinc/38/85/75/783388575.db2.gz XFPXYAXSYGUVBX-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948242487 783388584 /nfs/dbraw/zinc/38/85/84/783388584.db2.gz XFPXYAXSYGUVBX-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948242487 783388592 /nfs/dbraw/zinc/38/85/92/783388592.db2.gz XFPXYAXSYGUVBX-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948388365 783449084 /nfs/dbraw/zinc/44/90/84/783449084.db2.gz DRKOYOBEPYVOGL-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388365 783449089 /nfs/dbraw/zinc/44/90/89/783449089.db2.gz DRKOYOBEPYVOGL-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388365 783449095 /nfs/dbraw/zinc/44/90/95/783449095.db2.gz DRKOYOBEPYVOGL-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554619 783501114 /nfs/dbraw/zinc/50/11/14/783501114.db2.gz XOSBQGRBEFJQDO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948554619 783501118 /nfs/dbraw/zinc/50/11/18/783501118.db2.gz XOSBQGRBEFJQDO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948554619 783501121 /nfs/dbraw/zinc/50/11/21/783501121.db2.gz XOSBQGRBEFJQDO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001085245252 783601138 /nfs/dbraw/zinc/60/11/38/783601138.db2.gz QIPCZQPWSASPIO-RBSFLKMASA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986581 784285201 /nfs/dbraw/zinc/28/52/01/784285201.db2.gz IBLIVDPWOAXONE-INIZCTEOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986581 784285209 /nfs/dbraw/zinc/28/52/09/784285209.db2.gz IBLIVDPWOAXONE-INIZCTEOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376620 784337909 /nfs/dbraw/zinc/33/79/09/784337909.db2.gz APXCHBPTNAJRRQ-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376620 784337921 /nfs/dbraw/zinc/33/79/21/784337921.db2.gz APXCHBPTNAJRRQ-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968866164 784627124 /nfs/dbraw/zinc/62/71/24/784627124.db2.gz CHDSONCBNDKJTF-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866164 784627133 /nfs/dbraw/zinc/62/71/33/784627133.db2.gz CHDSONCBNDKJTF-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866164 784627140 /nfs/dbraw/zinc/62/71/40/784627140.db2.gz CHDSONCBNDKJTF-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403444 785854348 /nfs/dbraw/zinc/85/43/48/785854348.db2.gz HIEOTIJYUXGJLE-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673769 785984030 /nfs/dbraw/zinc/98/40/30/785984030.db2.gz QKIKVTRDHWIQJB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878019 786091823 /nfs/dbraw/zinc/09/18/23/786091823.db2.gz DGPPOODBSGTLFV-SQNIBIBYSA-N 2 1 319.493 2.406 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001113348625 786539720 /nfs/dbraw/zinc/53/97/20/786539720.db2.gz VVGONRSSULEMHR-DLBZAZTESA-N 2 1 309.498 2.299 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113419432 786582947 /nfs/dbraw/zinc/58/29/47/786582947.db2.gz RFIWFJIQFXZKAF-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441748 786594606 /nfs/dbraw/zinc/59/46/06/786594606.db2.gz QXHINMCENIECKG-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014698866 786713020 /nfs/dbraw/zinc/71/30/20/786713020.db2.gz BLAWVBGPOPOTSR-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698866 786713024 /nfs/dbraw/zinc/71/30/24/786713024.db2.gz BLAWVBGPOPOTSR-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698866 786713029 /nfs/dbraw/zinc/71/30/29/786713029.db2.gz BLAWVBGPOPOTSR-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429496 787214241 /nfs/dbraw/zinc/21/42/41/787214241.db2.gz HEYJEWUGARHPBL-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264876 787996376 /nfs/dbraw/zinc/99/63/76/787996376.db2.gz DDKKJEZAQWBPFV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549749 788127014 /nfs/dbraw/zinc/12/70/14/788127014.db2.gz ZCJPWSCMCJPNBY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158679624 788152777 /nfs/dbraw/zinc/15/27/77/788152777.db2.gz FNXZHYRWHVCNHJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097720757 788197844 /nfs/dbraw/zinc/19/78/44/788197844.db2.gz BSIIJFHJTBVMIV-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097720757 788197847 /nfs/dbraw/zinc/19/78/47/788197847.db2.gz BSIIJFHJTBVMIV-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097720757 788197850 /nfs/dbraw/zinc/19/78/50/788197850.db2.gz BSIIJFHJTBVMIV-SIRPWMCASA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132978174 788246086 /nfs/dbraw/zinc/24/60/86/788246086.db2.gz RKRJGTNAJQTKGS-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121961 788287857 /nfs/dbraw/zinc/28/78/57/788287857.db2.gz MUTDIHIDDNYOBF-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134809010 789098804 /nfs/dbraw/zinc/09/88/04/789098804.db2.gz NPXIPSSSHWAJDO-ZIAGYGMSSA-N 2 1 322.453 2.189 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871746 789565053 /nfs/dbraw/zinc/56/50/53/789565053.db2.gz SGHHHAAWQKMALC-IXDOHACOSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507706 789747565 /nfs/dbraw/zinc/74/75/65/789747565.db2.gz AKFDOEFHWZMOEI-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645883 789838378 /nfs/dbraw/zinc/83/83/78/789838378.db2.gz OSPAPJGLXPQSSE-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650891 789842193 /nfs/dbraw/zinc/84/21/93/789842193.db2.gz DWJIUIMCUARLJF-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001171307070 791550573 /nfs/dbraw/zinc/55/05/73/791550573.db2.gz GISLTZJFUUFYRB-IRXDYDNUSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C ZINC001171307070 791550584 /nfs/dbraw/zinc/55/05/84/791550584.db2.gz GISLTZJFUUFYRB-IRXDYDNUSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171327778 791721028 /nfs/dbraw/zinc/72/10/28/791721028.db2.gz DPVRHFRPTMBTRT-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001148386320 791744277 /nfs/dbraw/zinc/74/42/77/791744277.db2.gz UZAPGSRMEUUIPL-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605946 791775330 /nfs/dbraw/zinc/77/53/30/791775330.db2.gz YLNCMVPPMQRLGB-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605946 791775333 /nfs/dbraw/zinc/77/53/33/791775333.db2.gz YLNCMVPPMQRLGB-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148605946 791775336 /nfs/dbraw/zinc/77/53/36/791775336.db2.gz YLNCMVPPMQRLGB-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071419 791928476 /nfs/dbraw/zinc/92/84/76/791928476.db2.gz VHNCXWWKYYKQGM-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834723 791958253 /nfs/dbraw/zinc/95/82/53/791958253.db2.gz BIYGKEHAORHBGL-JZXOWHBKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834723 791958259 /nfs/dbraw/zinc/95/82/59/791958259.db2.gz BIYGKEHAORHBGL-JZXOWHBKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834723 791958267 /nfs/dbraw/zinc/95/82/67/791958267.db2.gz BIYGKEHAORHBGL-JZXOWHBKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463337 792003594 /nfs/dbraw/zinc/00/35/94/792003594.db2.gz KKNZUGYUZJGODM-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099233633 792145331 /nfs/dbraw/zinc/14/53/31/792145331.db2.gz AHBPISLTLRRVNA-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233633 792145335 /nfs/dbraw/zinc/14/53/35/792145335.db2.gz AHBPISLTLRRVNA-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233633 792145339 /nfs/dbraw/zinc/14/53/39/792145339.db2.gz AHBPISLTLRRVNA-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099354758 792180109 /nfs/dbraw/zinc/18/01/09/792180109.db2.gz VSAWAXMGGWCXCN-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099553883 792239982 /nfs/dbraw/zinc/23/99/82/792239982.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553883 792239990 /nfs/dbraw/zinc/23/99/90/792239990.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553883 792239998 /nfs/dbraw/zinc/23/99/98/792239998.db2.gz WLSLEGYJGVLOKE-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551698 792240519 /nfs/dbraw/zinc/24/05/19/792240519.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551698 792240528 /nfs/dbraw/zinc/24/05/28/792240528.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551698 792240534 /nfs/dbraw/zinc/24/05/34/792240534.db2.gz BPOBKWUYRODDBM-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418643 792638591 /nfs/dbraw/zinc/63/85/91/792638591.db2.gz DGWFPIAFKDCXHZ-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312819 793110834 /nfs/dbraw/zinc/11/08/34/793110834.db2.gz MQOQJGAPIBJIRC-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001094937115 793471048 /nfs/dbraw/zinc/47/10/48/793471048.db2.gz FMQPIUGUXCQNNR-ZOBUZTSGSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102515426 793637619 /nfs/dbraw/zinc/63/76/19/793637619.db2.gz SCOCEYURCHDRHH-IXDOHACOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102524994 793639540 /nfs/dbraw/zinc/63/95/40/793639540.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524994 793639546 /nfs/dbraw/zinc/63/95/46/793639546.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524994 793639549 /nfs/dbraw/zinc/63/95/49/793639549.db2.gz HFJIEVGSFBJDJN-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCOC1CCC([NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)CC1 ZINC001173320768 793677049 /nfs/dbraw/zinc/67/70/49/793677049.db2.gz SUQWXIFIBCUXRP-FCCDEINASA-N 2 1 308.466 2.153 20 30 DEEDMP C=CCOC1CCC([NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)CC1 ZINC001173320768 793677054 /nfs/dbraw/zinc/67/70/54/793677054.db2.gz SUQWXIFIBCUXRP-FCCDEINASA-N 2 1 308.466 2.153 20 30 DEEDMP C=CCOC1CCC([N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)CC1 ZINC001173320768 793677060 /nfs/dbraw/zinc/67/70/60/793677060.db2.gz SUQWXIFIBCUXRP-FCCDEINASA-N 2 1 308.466 2.153 20 30 DEEDMP C=CCOC1CCC([N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)CC1 ZINC001173320768 793677070 /nfs/dbraw/zinc/67/70/70/793677070.db2.gz SUQWXIFIBCUXRP-FCCDEINASA-N 2 1 308.466 2.153 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662665 794181478 /nfs/dbraw/zinc/18/14/78/794181478.db2.gz JIIZBWISTJJULS-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662665 794181482 /nfs/dbraw/zinc/18/14/82/794181482.db2.gz JIIZBWISTJJULS-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662665 794181484 /nfs/dbraw/zinc/18/14/84/794181484.db2.gz JIIZBWISTJJULS-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757225 794213884 /nfs/dbraw/zinc/21/38/84/794213884.db2.gz RPXLBPSNAIMHJS-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869893 794507431 /nfs/dbraw/zinc/50/74/31/794507431.db2.gz OZVKGJKHSBMTTC-SCTDSRPQSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909913 794524159 /nfs/dbraw/zinc/52/41/59/794524159.db2.gz NSWKMZMEYMSWSK-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001112360815 794612537 /nfs/dbraw/zinc/61/25/37/794612537.db2.gz MJPJMOSEARQZGU-BMFAXAFESA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534927 794812186 /nfs/dbraw/zinc/81/21/86/794812186.db2.gz BSQKJPLMFLEINN-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688257 794879865 /nfs/dbraw/zinc/87/98/65/794879865.db2.gz TZXCWYVLVDRSOO-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178722911 794973798 /nfs/dbraw/zinc/97/37/98/794973798.db2.gz VAJGABLPNJMUBE-SFHVURJKSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)C ZINC001178722911 794973803 /nfs/dbraw/zinc/97/38/03/794973803.db2.gz VAJGABLPNJMUBE-SFHVURJKSA-N 2 1 321.509 2.396 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698847 794980692 /nfs/dbraw/zinc/98/06/92/794980692.db2.gz WPSNFLUGPMKIMS-MRXNPFEDSA-N 2 1 316.449 2.050 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178734216 794987021 /nfs/dbraw/zinc/98/70/21/794987021.db2.gz YXATUOAEAOYRKZ-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178728755 794991000 /nfs/dbraw/zinc/99/10/00/794991000.db2.gz DTWOQMMXBACMQN-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719822 795164552 /nfs/dbraw/zinc/16/45/52/795164552.db2.gz PUKTUCPCTAVAKF-ZFWWWQNUSA-N 2 1 324.856 2.303 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nn1 ZINC001120072554 795402341 /nfs/dbraw/zinc/40/23/41/795402341.db2.gz WVDIGANULVNDBQ-ZMSDIMECSA-N 2 1 303.454 2.016 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121133864 795593114 /nfs/dbraw/zinc/59/31/14/795593114.db2.gz JEYGIJSHDOZESR-HGWOHTHGSA-N 2 1 319.493 2.310 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168804 796201243 /nfs/dbraw/zinc/20/12/43/796201243.db2.gz JEVXOCVXOJQMAS-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185546398 796288908 /nfs/dbraw/zinc/28/89/08/796288908.db2.gz BLWAMPYJTQQCLO-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034972 796481946 /nfs/dbraw/zinc/48/19/46/796481946.db2.gz REENOCWKXQBWAH-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190363585 796989267 /nfs/dbraw/zinc/98/92/67/796989267.db2.gz RWEISPNOQVTMJX-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363585 796989270 /nfs/dbraw/zinc/98/92/70/796989270.db2.gz RWEISPNOQVTMJX-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190655175 797048754 /nfs/dbraw/zinc/04/87/54/797048754.db2.gz OJZCMHKCHSNTFV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655175 797048763 /nfs/dbraw/zinc/04/87/63/797048763.db2.gz OJZCMHKCHSNTFV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655175 797048769 /nfs/dbraw/zinc/04/87/69/797048769.db2.gz OJZCMHKCHSNTFV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191144174 797153438 /nfs/dbraw/zinc/15/34/38/797153438.db2.gz JROXPYNDJBVBHH-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552136 797224960 /nfs/dbraw/zinc/22/49/60/797224960.db2.gz SWUCMCKOUIXTOW-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683443 797249348 /nfs/dbraw/zinc/24/93/48/797249348.db2.gz GBQJQAQKLIWBBM-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192385159 797378102 /nfs/dbraw/zinc/37/81/02/797378102.db2.gz FDGCLEUGTPCLSD-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192399245 797384358 /nfs/dbraw/zinc/38/43/58/797384358.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192399245 797384366 /nfs/dbraw/zinc/38/43/66/797384366.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192399245 797384372 /nfs/dbraw/zinc/38/43/72/797384372.db2.gz XEQKNFXEVIQCJR-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819010 797403316 /nfs/dbraw/zinc/40/33/16/797403316.db2.gz KAWJOHZDSOATLP-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819010 797403321 /nfs/dbraw/zinc/40/33/21/797403321.db2.gz KAWJOHZDSOATLP-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819010 797403326 /nfs/dbraw/zinc/40/33/26/797403326.db2.gz KAWJOHZDSOATLP-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC/C=C\CC ZINC001153891212 797419162 /nfs/dbraw/zinc/41/91/62/797419162.db2.gz QXIOJPVGPUKRCK-GNBGVQPESA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CC ZINC001153891212 797419168 /nfs/dbraw/zinc/41/91/68/797419168.db2.gz QXIOJPVGPUKRCK-GNBGVQPESA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC/C=C\CC ZINC001153891212 797419171 /nfs/dbraw/zinc/41/91/71/797419171.db2.gz QXIOJPVGPUKRCK-GNBGVQPESA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC/C=C\CC ZINC001153891212 797419176 /nfs/dbraw/zinc/41/91/76/797419176.db2.gz QXIOJPVGPUKRCK-GNBGVQPESA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671003 797428679 /nfs/dbraw/zinc/42/86/79/797428679.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671003 797428685 /nfs/dbraw/zinc/42/86/85/797428685.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671003 797428692 /nfs/dbraw/zinc/42/86/92/797428692.db2.gz DKKGWACKFKGWBQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917216 797471880 /nfs/dbraw/zinc/47/18/80/797471880.db2.gz LBBKTFNPDSDIBW-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275818 797697356 /nfs/dbraw/zinc/69/73/56/797697356.db2.gz YFGGXVCSGIGYES-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP Cc1[nH+]c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001155596503 797799467 /nfs/dbraw/zinc/79/94/67/797799467.db2.gz IFQOBAMIIKCNFY-PBHICJAKSA-N 2 1 300.406 2.027 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001196191607 798013317 /nfs/dbraw/zinc/01/33/17/798013317.db2.gz JAPGYSCKLZSFPU-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196191607 798013323 /nfs/dbraw/zinc/01/33/23/798013323.db2.gz JAPGYSCKLZSFPU-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)C)CC1 ZINC001196191607 798013327 /nfs/dbraw/zinc/01/33/27/798013327.db2.gz JAPGYSCKLZSFPU-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC(C)C)CC1 ZINC001196191607 798013333 /nfs/dbraw/zinc/01/33/33/798013333.db2.gz JAPGYSCKLZSFPU-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132739 798148857 /nfs/dbraw/zinc/14/88/57/798148857.db2.gz NFBHLWKYMQHYLY-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132739 798148860 /nfs/dbraw/zinc/14/88/60/798148860.db2.gz NFBHLWKYMQHYLY-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197794483 798239305 /nfs/dbraw/zinc/23/93/05/798239305.db2.gz JSGBLMBBASUCFB-UHFFFAOYSA-N 2 1 321.509 2.446 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701370 798262254 /nfs/dbraw/zinc/26/22/54/798262254.db2.gz CAYNPDMFSWGWIM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701370 798262257 /nfs/dbraw/zinc/26/22/57/798262257.db2.gz CAYNPDMFSWGWIM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701370 798262261 /nfs/dbraw/zinc/26/22/61/798262261.db2.gz CAYNPDMFSWGWIM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227139 798363351 /nfs/dbraw/zinc/36/33/51/798363351.db2.gz BBVGMDFIXKFYLJ-GOSISDBHSA-N 2 1 324.428 2.284 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872381 798482851 /nfs/dbraw/zinc/48/28/51/798482851.db2.gz LCSSOLJPTDZZRM-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578163 798652979 /nfs/dbraw/zinc/65/29/79/798652979.db2.gz NEKPXMFPAFFBAD-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664962 798954288 /nfs/dbraw/zinc/95/42/88/798954288.db2.gz GEPPPBPWHVAEGM-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001006405399 799395745 /nfs/dbraw/zinc/39/57/45/799395745.db2.gz FLGMDLQUPPPFIP-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334037 799707313 /nfs/dbraw/zinc/70/73/13/799707313.db2.gz UWQXBNICFHVGIO-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165735465 799766842 /nfs/dbraw/zinc/76/68/42/799766842.db2.gz AHHDGZDVMANXDR-DLBZAZTESA-N 2 1 319.493 2.456 20 30 DEEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426394 800046016 /nfs/dbraw/zinc/04/60/16/800046016.db2.gz JPYIKCKIVLORMH-CVEARBPZSA-N 2 1 319.493 2.005 20 30 DEEDMP N#Cc1ccc(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000933614961 800138809 /nfs/dbraw/zinc/13/88/09/800138809.db2.gz ZHOLVXFRFZHAFF-IBGZPJMESA-N 2 1 313.445 2.194 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519080 800367673 /nfs/dbraw/zinc/36/76/73/800367673.db2.gz UTBYMMSMCSGBGB-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP N#Cc1ccc2c(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781310 800418740 /nfs/dbraw/zinc/41/87/40/800418740.db2.gz VWDDORRSUCLQRZ-ZDUSSCGKSA-N 2 1 304.344 2.455 20 30 DEEDMP N#Cc1ccc2c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781310 800418744 /nfs/dbraw/zinc/41/87/44/800418744.db2.gz VWDDORRSUCLQRZ-ZDUSSCGKSA-N 2 1 304.344 2.455 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205779584 800418961 /nfs/dbraw/zinc/41/89/61/800418961.db2.gz MHZADBSUBTUBJS-HNNXBMFYSA-N 2 1 322.403 2.452 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205779584 800418965 /nfs/dbraw/zinc/41/89/65/800418965.db2.gz MHZADBSUBTUBJS-HNNXBMFYSA-N 2 1 322.403 2.452 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396028 800743812 /nfs/dbraw/zinc/74/38/12/800743812.db2.gz AQADEDKQIILFQN-RTBURBONSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432235 800982088 /nfs/dbraw/zinc/98/20/88/800982088.db2.gz SCGSRKRSSSEALK-OWCLPIDISA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609945 801030063 /nfs/dbraw/zinc/03/00/63/801030063.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609945 801030070 /nfs/dbraw/zinc/03/00/70/801030070.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609945 801030077 /nfs/dbraw/zinc/03/00/77/801030077.db2.gz XPQBCBMRJFTWQJ-BZSNNMDCSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229110073 801225869 /nfs/dbraw/zinc/22/58/69/801225869.db2.gz MZPLTGSODXUXFH-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230035959 801352371 /nfs/dbraw/zinc/35/23/71/801352371.db2.gz ZCKOVZVCHXHZQE-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001230353049 801391223 /nfs/dbraw/zinc/39/12/23/801391223.db2.gz AVEKAYUNMCCTRG-UHFFFAOYSA-N 2 1 313.873 2.196 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230619131 801438898 /nfs/dbraw/zinc/43/88/98/801438898.db2.gz VLEPGIOMFCYMKE-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619131 801438904 /nfs/dbraw/zinc/43/89/04/801438904.db2.gz VLEPGIOMFCYMKE-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230619131 801438910 /nfs/dbraw/zinc/43/89/10/801438910.db2.gz VLEPGIOMFCYMKE-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855916 801767417 /nfs/dbraw/zinc/76/74/17/801767417.db2.gz RISMRZDEDUSNCF-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289931 802855602 /nfs/dbraw/zinc/85/56/02/802855602.db2.gz XDCJDCQNXIRHJH-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001224426622 802868368 /nfs/dbraw/zinc/86/83/68/802868368.db2.gz QPCKFIGKFPGSKD-OAHLLOKOSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330915975 1149332936 /nfs/dbraw/zinc/33/29/36/1149332936.db2.gz LTCANWVPTQENTM-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001328097465 1148719250 /nfs/dbraw/zinc/71/92/50/1148719250.db2.gz FLNXWFMZVALEKA-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001328097465 1148719262 /nfs/dbraw/zinc/71/92/62/1148719262.db2.gz FLNXWFMZVALEKA-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529539 1149510089 /nfs/dbraw/zinc/51/00/89/1149510089.db2.gz KVEQPIJSIKJOAR-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001328766722 1148833353 /nfs/dbraw/zinc/83/33/53/1148833353.db2.gz TVMMBHGGAAEYRZ-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406726 1060116433 /nfs/dbraw/zinc/11/64/33/1060116433.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406726 1060116449 /nfs/dbraw/zinc/11/64/49/1060116449.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406726 1060116457 /nfs/dbraw/zinc/11/64/57/1060116457.db2.gz QZWJRKAVAYKAOT-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406876 1060117696 /nfs/dbraw/zinc/11/76/96/1060117696.db2.gz VOAITMARXMPEOZ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968399 1060409480 /nfs/dbraw/zinc/40/94/80/1060409480.db2.gz MAOMQEUBBAVXQO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456571 1060624414 /nfs/dbraw/zinc/62/44/14/1060624414.db2.gz YGWVJTIQRXULGB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456571 1060624419 /nfs/dbraw/zinc/62/44/19/1060624419.db2.gz YGWVJTIQRXULGB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505456571 1060624425 /nfs/dbraw/zinc/62/44/25/1060624425.db2.gz YGWVJTIQRXULGB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505456571 1060624430 /nfs/dbraw/zinc/62/44/30/1060624430.db2.gz YGWVJTIQRXULGB-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001474617239 1060907364 /nfs/dbraw/zinc/90/73/64/1060907364.db2.gz ZXOVOBCRGSIOKV-GOSISDBHSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001479302040 1061376758 /nfs/dbraw/zinc/37/67/58/1061376758.db2.gz GWBIWXAXSMWGLG-YYIAUSFCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001479486866 1061473834 /nfs/dbraw/zinc/47/38/34/1061473834.db2.gz LZVASKBAVLOSIM-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001479519469 1061488430 /nfs/dbraw/zinc/48/84/30/1061488430.db2.gz LPWYCBWUGWORRD-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479905784 1062024426 /nfs/dbraw/zinc/02/44/26/1062024426.db2.gz BOPPQXFGOPPDQA-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479905784 1062024446 /nfs/dbraw/zinc/02/44/46/1062024446.db2.gz BOPPQXFGOPPDQA-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479905784 1062024459 /nfs/dbraw/zinc/02/44/59/1062024459.db2.gz BOPPQXFGOPPDQA-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479905784 1062024483 /nfs/dbraw/zinc/02/44/83/1062024483.db2.gz BOPPQXFGOPPDQA-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480088267 1062306962 /nfs/dbraw/zinc/30/69/62/1062306962.db2.gz WPFICPDWBLWQLH-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480089604 1062313194 /nfs/dbraw/zinc/31/31/94/1062313194.db2.gz TUDVTWKPTZNMBB-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507163270 1062942604 /nfs/dbraw/zinc/94/26/04/1062942604.db2.gz UBQOROSCJPOZMD-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001507414578 1063251729 /nfs/dbraw/zinc/25/17/29/1063251729.db2.gz SEROMXHQPMJQKS-CABCVRRESA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480833877 1063426968 /nfs/dbraw/zinc/42/69/68/1063426968.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480833877 1063426978 /nfs/dbraw/zinc/42/69/78/1063426978.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480833877 1063426988 /nfs/dbraw/zinc/42/69/88/1063426988.db2.gz ZFXLMIHFLWAQFS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494018181 1064084494 /nfs/dbraw/zinc/08/44/94/1064084494.db2.gz FRNROTGAPCEGHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494018181 1064084503 /nfs/dbraw/zinc/08/45/03/1064084503.db2.gz FRNROTGAPCEGHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494018181 1064084512 /nfs/dbraw/zinc/08/45/12/1064084512.db2.gz FRNROTGAPCEGHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054937 1064106291 /nfs/dbraw/zinc/10/62/91/1064106291.db2.gz LRFMSJCJNWFVSE-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054937 1064106292 /nfs/dbraw/zinc/10/62/92/1064106292.db2.gz LRFMSJCJNWFVSE-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567414218 1064188734 /nfs/dbraw/zinc/18/87/34/1064188734.db2.gz IOZFGFBGTCRVCV-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001567702923 1064362233 /nfs/dbraw/zinc/36/22/33/1064362233.db2.gz NMHITMXJWPSTJG-MRXNPFEDSA-N 2 1 324.428 2.108 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001494664084 1064395987 /nfs/dbraw/zinc/39/59/87/1064395987.db2.gz VORJRVIRKXOXCC-IRXDYDNUSA-N 2 1 318.465 2.447 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001494664084 1064396005 /nfs/dbraw/zinc/39/60/05/1064396005.db2.gz VORJRVIRKXOXCC-IRXDYDNUSA-N 2 1 318.465 2.447 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001567752363 1064404597 /nfs/dbraw/zinc/40/45/97/1064404597.db2.gz POQCZSFDZKPONW-UHFFFAOYSA-N 2 1 304.438 2.044 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001567752363 1064404605 /nfs/dbraw/zinc/40/46/05/1064404605.db2.gz POQCZSFDZKPONW-UHFFFAOYSA-N 2 1 304.438 2.044 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001568131954 1064663026 /nfs/dbraw/zinc/66/30/26/1064663026.db2.gz CPEQHMNEMHASIW-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568274388 1064746291 /nfs/dbraw/zinc/74/62/91/1064746291.db2.gz UYJUPEMYWOGXHJ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001568320233 1064775042 /nfs/dbraw/zinc/77/50/42/1064775042.db2.gz CUTFROOBLIWQLJ-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001495277175 1064800796 /nfs/dbraw/zinc/80/07/96/1064800796.db2.gz NYBIXHWUXIUOAU-GOSISDBHSA-N 2 1 309.498 2.415 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001568452693 1064881696 /nfs/dbraw/zinc/88/16/96/1064881696.db2.gz IWLNBVGMGWYKOD-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001495698012 1065059997 /nfs/dbraw/zinc/05/99/97/1065059997.db2.gz XQWLWAOJGLAEQS-UKRRQHHQSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568928063 1065196595 /nfs/dbraw/zinc/19/65/95/1065196595.db2.gz HAXHNEKEQKJBSF-YVACAVLKSA-N 2 1 313.873 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001569376285 1065471667 /nfs/dbraw/zinc/47/16/67/1065471667.db2.gz IJXVDFXEVKDKBY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466798 1065524578 /nfs/dbraw/zinc/52/45/78/1065524578.db2.gz FWLLUIMIFLFAGY-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CCCn2ccnc2)C1 ZINC001569726146 1065692397 /nfs/dbraw/zinc/69/23/97/1065692397.db2.gz MAYGZFFFGPTFDJ-GOSISDBHSA-N 2 1 318.465 2.458 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914382 1065817324 /nfs/dbraw/zinc/81/73/24/1065817324.db2.gz DVULTBZZBNHNNL-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570349830 1066027001 /nfs/dbraw/zinc/02/70/01/1066027001.db2.gz UUNHYTXVVSBCFB-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001570502599 1066096939 /nfs/dbraw/zinc/09/69/39/1066096939.db2.gz GVLFWKQJXQEVNJ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001570502599 1066096951 /nfs/dbraw/zinc/09/69/51/1066096951.db2.gz GVLFWKQJXQEVNJ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300003 1148518063 /nfs/dbraw/zinc/51/80/63/1148518063.db2.gz RZSLQBXHDWPWDW-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613714 1067277922 /nfs/dbraw/zinc/27/79/22/1067277922.db2.gz GUOIAVKHCRARRF-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613714 1067277926 /nfs/dbraw/zinc/27/79/26/1067277926.db2.gz GUOIAVKHCRARRF-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001499746945 1067319852 /nfs/dbraw/zinc/31/98/52/1067319852.db2.gz CGUSYCKWPZPEGA-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001499746945 1067319868 /nfs/dbraw/zinc/31/98/68/1067319868.db2.gz CGUSYCKWPZPEGA-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267045153 1078524340 /nfs/dbraw/zinc/52/43/40/1078524340.db2.gz NNBOKRXIMQNDRE-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066594 1067488091 /nfs/dbraw/zinc/48/80/91/1067488091.db2.gz OJNNJDAWXYNOGZ-DOTOQJQBSA-N 2 1 314.389 2.417 20 30 DEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066594 1067488093 /nfs/dbraw/zinc/48/80/93/1067488093.db2.gz OJNNJDAWXYNOGZ-DOTOQJQBSA-N 2 1 314.389 2.417 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001570754063 1068109141 /nfs/dbraw/zinc/10/91/41/1068109141.db2.gz WFLSTSRRERMQQO-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001570754063 1068109145 /nfs/dbraw/zinc/10/91/45/1068109145.db2.gz WFLSTSRRERMQQO-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825552 1068130387 /nfs/dbraw/zinc/13/03/87/1068130387.db2.gz UVHLIFKPLYRWTC-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178280 /nfs/dbraw/zinc/17/82/80/1068178280.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178285 /nfs/dbraw/zinc/17/82/85/1068178285.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001571068391 1068178291 /nfs/dbraw/zinc/17/82/91/1068178291.db2.gz MRVHVDHQTDXHCM-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001571513491 1068371635 /nfs/dbraw/zinc/37/16/35/1068371635.db2.gz SNOKRALEGRDRBR-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001571558690 1068420104 /nfs/dbraw/zinc/42/01/04/1068420104.db2.gz OYOUMSFWTOFLNK-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001571627600 1068447955 /nfs/dbraw/zinc/44/79/55/1068447955.db2.gz XAWUGSPWUMSFQM-OAHLLOKOSA-N 2 1 322.453 2.046 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001571666037 1068469071 /nfs/dbraw/zinc/46/90/71/1068469071.db2.gz USYHZIANHHZNDF-JCYILVPMSA-N 2 1 301.434 2.054 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483668185 1078766858 /nfs/dbraw/zinc/76/68/58/1078766858.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001483668185 1078766863 /nfs/dbraw/zinc/76/68/63/1078766863.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001483668185 1078766865 /nfs/dbraw/zinc/76/68/65/1078766865.db2.gz SPCPRUYRWIJWIV-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267547585 1078978345 /nfs/dbraw/zinc/97/83/45/1078978345.db2.gz PMSNWBJJSOORSI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267547585 1078978349 /nfs/dbraw/zinc/97/83/49/1078978349.db2.gz PMSNWBJJSOORSI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267547585 1078978354 /nfs/dbraw/zinc/97/83/54/1078978354.db2.gz PMSNWBJJSOORSI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483743968 1078980439 /nfs/dbraw/zinc/98/04/39/1078980439.db2.gz JTRXRWQQOUTUPS-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267565742 1078999939 /nfs/dbraw/zinc/99/99/39/1078999939.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267565742 1078999942 /nfs/dbraw/zinc/99/99/42/1078999942.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267565742 1078999944 /nfs/dbraw/zinc/99/99/44/1078999944.db2.gz UAOZVFKHRAPXTR-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267590022 1079100467 /nfs/dbraw/zinc/10/04/67/1079100467.db2.gz ORVAXOUNLKSIFZ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590022 1079100470 /nfs/dbraw/zinc/10/04/70/1079100470.db2.gz ORVAXOUNLKSIFZ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590022 1079100472 /nfs/dbraw/zinc/10/04/72/1079100472.db2.gz ORVAXOUNLKSIFZ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595311 1079112220 /nfs/dbraw/zinc/11/22/20/1079112220.db2.gz HISXPJVLVUWCMV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001649448954 1079124987 /nfs/dbraw/zinc/12/49/87/1079124987.db2.gz HFIYURRLBOZCRW-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481106132 1079189116 /nfs/dbraw/zinc/18/91/16/1079189116.db2.gz QAWSLUKAERZNES-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481106132 1079189118 /nfs/dbraw/zinc/18/91/18/1079189118.db2.gz QAWSLUKAERZNES-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481106132 1079189120 /nfs/dbraw/zinc/18/91/20/1079189120.db2.gz QAWSLUKAERZNES-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267613654 1079220206 /nfs/dbraw/zinc/22/02/06/1079220206.db2.gz ORHCAUFSPMYKAD-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267613654 1079220213 /nfs/dbraw/zinc/22/02/13/1079220213.db2.gz ORHCAUFSPMYKAD-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267621958 1079289278 /nfs/dbraw/zinc/28/92/78/1079289278.db2.gz DDNJQWPDCZYNTH-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565834961 1075193367 /nfs/dbraw/zinc/19/33/67/1075193367.db2.gz FGUUDXICLGILGP-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565834961 1075193370 /nfs/dbraw/zinc/19/33/70/1075193370.db2.gz FGUUDXICLGILGP-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566566667 1075284351 /nfs/dbraw/zinc/28/43/51/1075284351.db2.gz INJFYZWTQCNYPH-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001566674518 1075313531 /nfs/dbraw/zinc/31/35/31/1075313531.db2.gz SZVGTAMXRXZALJ-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001566674518 1075313532 /nfs/dbraw/zinc/31/35/32/1075313532.db2.gz SZVGTAMXRXZALJ-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001566674518 1075313535 /nfs/dbraw/zinc/31/35/35/1075313535.db2.gz SZVGTAMXRXZALJ-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001566733648 1075329819 /nfs/dbraw/zinc/32/98/19/1075329819.db2.gz VFGONJJTKQHBDC-QZTJIDSGSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967315 1075402814 /nfs/dbraw/zinc/40/28/14/1075402814.db2.gz LGLOSQLICUEPRD-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967315 1075402815 /nfs/dbraw/zinc/40/28/15/1075402815.db2.gz LGLOSQLICUEPRD-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001566972838 1075404482 /nfs/dbraw/zinc/40/44/82/1075404482.db2.gz NHUXMSYWIUWUMM-SFFUCWETSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567016210 1075416845 /nfs/dbraw/zinc/41/68/45/1075416845.db2.gz FFGOSPJEJSOQAD-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567203230 1075463067 /nfs/dbraw/zinc/46/30/67/1075463067.db2.gz PVNILZCFNVRIPV-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267775439 1079485512 /nfs/dbraw/zinc/48/55/12/1079485512.db2.gz RNNBGPQKONUROQ-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267775439 1079485514 /nfs/dbraw/zinc/48/55/14/1079485514.db2.gz RNNBGPQKONUROQ-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267896997 1079583069 /nfs/dbraw/zinc/58/30/69/1079583069.db2.gz HLAFTBYOZAHPOH-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001484414823 1079599783 /nfs/dbraw/zinc/59/97/83/1079599783.db2.gz DCNXJURNAVFHGV-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001484638185 1079704896 /nfs/dbraw/zinc/70/48/96/1079704896.db2.gz HGWFINHBANTTJZ-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481453056 1079880399 /nfs/dbraw/zinc/88/03/99/1079880399.db2.gz QNGUVMFOYPOMKL-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001485030611 1079922919 /nfs/dbraw/zinc/92/29/19/1079922919.db2.gz IBLIIVHZVFWLMD-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001485030611 1079922922 /nfs/dbraw/zinc/92/29/22/1079922922.db2.gz IBLIIVHZVFWLMD-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268084448 1080040056 /nfs/dbraw/zinc/04/00/56/1080040056.db2.gz FVNSMNBMIZZDFQ-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP CCCCCCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481569572 1080060689 /nfs/dbraw/zinc/06/06/89/1080060689.db2.gz HIIYREYCBZNPGN-UHFFFAOYSA-N 2 1 307.482 2.386 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001656763940 1080121626 /nfs/dbraw/zinc/12/16/26/1080121626.db2.gz VDTUIJMPSQCYOU-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268155194 1080128136 /nfs/dbraw/zinc/12/81/36/1080128136.db2.gz GYLNUYYSZBDDRP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481604919 1080129614 /nfs/dbraw/zinc/12/96/14/1080129614.db2.gz QNAYYFPNWUZZBT-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001657036493 1080147447 /nfs/dbraw/zinc/14/74/47/1080147447.db2.gz XJDVSFVBXVMTIE-ZACQAIPSSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001657036493 1080147454 /nfs/dbraw/zinc/14/74/54/1080147454.db2.gz XJDVSFVBXVMTIE-ZACQAIPSSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001657036493 1080147460 /nfs/dbraw/zinc/14/74/60/1080147460.db2.gz XJDVSFVBXVMTIE-ZACQAIPSSA-N 2 1 309.498 2.488 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001485455330 1080216990 /nfs/dbraw/zinc/21/69/90/1080216990.db2.gz LICYBUMZUJYSHN-UHFFFAOYSA-N 2 1 321.509 2.396 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001268269277 1080249297 /nfs/dbraw/zinc/24/92/97/1080249297.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268269277 1080249303 /nfs/dbraw/zinc/24/93/03/1080249303.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001268269277 1080249308 /nfs/dbraw/zinc/24/93/08/1080249308.db2.gz LUYUBYRKDKHONN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001268455005 1080498629 /nfs/dbraw/zinc/49/86/29/1080498629.db2.gz ATGIOCDNYDSOLX-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001482016793 1080689939 /nfs/dbraw/zinc/68/99/39/1080689939.db2.gz HHNANPFXFFLMID-LUKYLMHMSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001664457433 1080912543 /nfs/dbraw/zinc/91/25/43/1080912543.db2.gz OGVQSLAJGPZEIU-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001665088965 1080989638 /nfs/dbraw/zinc/98/96/38/1080989638.db2.gz YOGGTAQVRYYJGC-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001665088965 1080989640 /nfs/dbraw/zinc/98/96/40/1080989640.db2.gz YOGGTAQVRYYJGC-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001665088965 1080989644 /nfs/dbraw/zinc/98/96/44/1080989644.db2.gz YOGGTAQVRYYJGC-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001666037473 1081113894 /nfs/dbraw/zinc/11/38/94/1081113894.db2.gz KXLQZCUQWGVHJM-MOPGFXCFSA-N 2 1 319.493 2.313 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001666389141 1081149933 /nfs/dbraw/zinc/14/99/33/1081149933.db2.gz CRYRAIVEKHMQSP-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269339308 1081220473 /nfs/dbraw/zinc/22/04/73/1081220473.db2.gz LNEZXCFMEYKVTD-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269339308 1081220478 /nfs/dbraw/zinc/22/04/78/1081220478.db2.gz LNEZXCFMEYKVTD-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269360907 1081227994 /nfs/dbraw/zinc/22/79/94/1081227994.db2.gz MCHDUGZLHZTJIK-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001667695474 1081275323 /nfs/dbraw/zinc/27/53/23/1081275323.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001667695474 1081275330 /nfs/dbraw/zinc/27/53/30/1081275330.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001667695474 1081275337 /nfs/dbraw/zinc/27/53/37/1081275337.db2.gz XMPPZHRWFRRHHI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001667695468 1081275865 /nfs/dbraw/zinc/27/58/65/1081275865.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001667695468 1081275866 /nfs/dbraw/zinc/27/58/66/1081275866.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001667695468 1081275870 /nfs/dbraw/zinc/27/58/70/1081275870.db2.gz XMPPZHRWFRRHHI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CCC=C)C(C)C)CC1 ZINC001284559074 1081299197 /nfs/dbraw/zinc/29/91/97/1081299197.db2.gz UHWGSBDSSZNOPX-UHFFFAOYSA-N 2 1 319.493 2.077 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001269751630 1081355630 /nfs/dbraw/zinc/35/56/30/1081355630.db2.gz LWTKLOZWWPXDEW-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001270458052 1081530498 /nfs/dbraw/zinc/53/04/98/1081530498.db2.gz JMZWVCNIHOUFDD-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001673218280 1081746624 /nfs/dbraw/zinc/74/66/24/1081746624.db2.gz JGMWEIQEMASUTJ-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095864714 1081777712 /nfs/dbraw/zinc/77/77/12/1081777712.db2.gz YWMWPFPHLPIIIT-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252450 1081917776 /nfs/dbraw/zinc/91/77/76/1081917776.db2.gz ULKCQDFPENBVRR-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266573233 1082167390 /nfs/dbraw/zinc/16/73/90/1082167390.db2.gz MXFPKLJYSHKBIG-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001670640936 1082202052 /nfs/dbraw/zinc/20/20/52/1082202052.db2.gz KXUQPCDBRCHPEG-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769725 1082332571 /nfs/dbraw/zinc/33/25/71/1082332571.db2.gz GRLMINOUQCLEQM-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769725 1082332576 /nfs/dbraw/zinc/33/25/76/1082332576.db2.gz GRLMINOUQCLEQM-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266841894 1082383722 /nfs/dbraw/zinc/38/37/22/1082383722.db2.gz DQZKDGVKLOTILV-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266859954 1082403297 /nfs/dbraw/zinc/40/32/97/1082403297.db2.gz UCLWBFSFTKMCIP-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266859954 1082403301 /nfs/dbraw/zinc/40/33/01/1082403301.db2.gz UCLWBFSFTKMCIP-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266884058 1082428054 /nfs/dbraw/zinc/42/80/54/1082428054.db2.gz KOHTUJJTALWJHQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671679002 1082442664 /nfs/dbraw/zinc/44/26/64/1082442664.db2.gz QZXOCRILGLXRJQ-GOSISDBHSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001482925226 1082564220 /nfs/dbraw/zinc/56/42/20/1082564220.db2.gz YZQLXWLRYCNDOY-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483011542 1082623843 /nfs/dbraw/zinc/62/38/43/1082623843.db2.gz QJARARRVBDNMRN-OZSKJFCKSA-N 2 1 319.493 2.479 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276996049 1083725162 /nfs/dbraw/zinc/72/51/62/1083725162.db2.gz SZSTUNZIBUSCQL-BQFCYCMXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001491287949 1084213600 /nfs/dbraw/zinc/21/36/00/1084213600.db2.gz QGQIRGJHGJFHCU-LSDHHAIUSA-N 2 1 304.438 2.135 20 30 DEEDMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](CCC#N)CC3)C2)n(C)n1 ZINC001277939019 1084400301 /nfs/dbraw/zinc/40/03/01/1084400301.db2.gz LOEWVBHBEQOCFQ-UHFFFAOYSA-N 2 1 315.465 2.320 20 30 DEEDMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](CCC#N)CC3)C2)n(C)n1 ZINC001277939019 1084400306 /nfs/dbraw/zinc/40/03/06/1084400306.db2.gz LOEWVBHBEQOCFQ-UHFFFAOYSA-N 2 1 315.465 2.320 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181954 1085110104 /nfs/dbraw/zinc/11/01/04/1085110104.db2.gz WBEZPJAPZYUICM-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963946868 1085127135 /nfs/dbraw/zinc/12/71/35/1085127135.db2.gz KEWVQLLDEHWXOB-APUKJBRXSA-N 2 1 319.493 2.452 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001486377574 1085251219 /nfs/dbraw/zinc/25/12/19/1085251219.db2.gz GMXGIJGVHHEOFM-UHFFFAOYSA-N 2 1 321.509 2.299 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443898 1085735562 /nfs/dbraw/zinc/73/55/62/1085735562.db2.gz XZZXYNABBAHYJB-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443898 1085735572 /nfs/dbraw/zinc/73/55/72/1085735572.db2.gz XZZXYNABBAHYJB-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443898 1085735583 /nfs/dbraw/zinc/73/55/83/1085735583.db2.gz XZZXYNABBAHYJB-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273029973 1086037869 /nfs/dbraw/zinc/03/78/69/1086037869.db2.gz HSWIEFRVWAECKP-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338286 1086414549 /nfs/dbraw/zinc/41/45/49/1086414549.db2.gz VEALBHAFZMQMLS-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338286 1086414556 /nfs/dbraw/zinc/41/45/56/1086414556.db2.gz VEALBHAFZMQMLS-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698343 1088336012 /nfs/dbraw/zinc/33/60/12/1088336012.db2.gz XNEHXNMZZZHSBC-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701212 1088337652 /nfs/dbraw/zinc/33/76/52/1088337652.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701212 1088337668 /nfs/dbraw/zinc/33/76/68/1088337668.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701212 1088337680 /nfs/dbraw/zinc/33/76/80/1088337680.db2.gz ZJNIIJGVVGMDNY-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782496 1088613529 /nfs/dbraw/zinc/61/35/29/1088613529.db2.gz FVSHITKLOUSLCX-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288385 /nfs/dbraw/zinc/28/83/85/1090288385.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288387 /nfs/dbraw/zinc/28/83/87/1090288387.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398556 1090288394 /nfs/dbraw/zinc/28/83/94/1090288394.db2.gz FONVLUWASSAVDG-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001273419532 1091324356 /nfs/dbraw/zinc/32/43/56/1091324356.db2.gz WOGVISATFWDONA-CVEARBPZSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001275251748 1091637026 /nfs/dbraw/zinc/63/70/26/1091637026.db2.gz WSHDQSYZZXLQME-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273711334 1092007013 /nfs/dbraw/zinc/00/70/13/1092007013.db2.gz AYJPVTNXUMKAIY-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001275912239 1092296211 /nfs/dbraw/zinc/29/62/11/1092296211.db2.gz KHKAYZASCKXCMS-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275912239 1092296217 /nfs/dbraw/zinc/29/62/17/1092296217.db2.gz KHKAYZASCKXCMS-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001275912239 1092296229 /nfs/dbraw/zinc/29/62/29/1092296229.db2.gz KHKAYZASCKXCMS-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCCC[NH+]1CCC2(C[NH+](Cc3cc(C)nn3C)C2)CC1 ZINC001275978709 1092430155 /nfs/dbraw/zinc/43/01/55/1092430155.db2.gz XMWZJCOJCFQDGY-UHFFFAOYSA-N 2 1 300.450 2.040 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001489205195 1092972392 /nfs/dbraw/zinc/97/23/92/1092972392.db2.gz DYFKAVOEYYRECZ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001489205195 1092972401 /nfs/dbraw/zinc/97/24/01/1092972401.db2.gz DYFKAVOEYYRECZ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001489205195 1092972411 /nfs/dbraw/zinc/97/24/11/1092972411.db2.gz DYFKAVOEYYRECZ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001489232985 1092997706 /nfs/dbraw/zinc/99/77/06/1092997706.db2.gz VFDIAWWIKGHAQX-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001490205283 1093223511 /nfs/dbraw/zinc/22/35/11/1093223511.db2.gz ZKLGTFODPGBUFW-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001490205283 1093223520 /nfs/dbraw/zinc/22/35/20/1093223520.db2.gz ZKLGTFODPGBUFW-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001490205283 1093223501 /nfs/dbraw/zinc/22/35/01/1093223501.db2.gz ZKLGTFODPGBUFW-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001490205283 1093223493 /nfs/dbraw/zinc/22/34/93/1093223493.db2.gz ZKLGTFODPGBUFW-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001490207985 1093225961 /nfs/dbraw/zinc/22/59/61/1093225961.db2.gz OZQXWLRBMHJAFY-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001490207985 1093225968 /nfs/dbraw/zinc/22/59/68/1093225968.db2.gz OZQXWLRBMHJAFY-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001490207985 1093225976 /nfs/dbraw/zinc/22/59/76/1093225976.db2.gz OZQXWLRBMHJAFY-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP Cc1cc(N(C)C)[nH+]cc1-c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001241243626 1139763948 /nfs/dbraw/zinc/76/39/48/1139763948.db2.gz WQMLSILJHBGOOF-UHFFFAOYSA-N 2 1 321.428 2.404 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491799931 1140314748 /nfs/dbraw/zinc/31/47/48/1140314748.db2.gz BBIKLSMGBJTWGT-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889344 1140533594 /nfs/dbraw/zinc/53/35/94/1140533594.db2.gz NWGUNBCDOFBIHJ-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001319385992 1140561196 /nfs/dbraw/zinc/56/11/96/1140561196.db2.gz RPCULLFSDIWZSG-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023333 1140848510 /nfs/dbraw/zinc/84/85/10/1140848510.db2.gz PLLVKXQGHIBWLA-DLBZAZTESA-N 2 1 300.487 2.274 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246023344 1140848521 /nfs/dbraw/zinc/84/85/21/1140848521.db2.gz PLLVKXQGHIBWLA-IAGOWNOFSA-N 2 1 300.487 2.274 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCOC(C)C ZINC001246306727 1140882708 /nfs/dbraw/zinc/88/27/08/1140882708.db2.gz XTLGILHHLWQMMB-CABCVRRESA-N 2 1 300.443 2.006 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001278465707 1141058296 /nfs/dbraw/zinc/05/82/96/1141058296.db2.gz BQVHDXAJBDOLRW-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001278465707 1141058297 /nfs/dbraw/zinc/05/82/97/1141058297.db2.gz BQVHDXAJBDOLRW-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001278465707 1141058306 /nfs/dbraw/zinc/05/83/06/1141058306.db2.gz BQVHDXAJBDOLRW-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894110 /nfs/dbraw/zinc/89/41/10/1141894110.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894113 /nfs/dbraw/zinc/89/41/13/1141894113.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001323860714 1141894114 /nfs/dbraw/zinc/89/41/14/1141894114.db2.gz UNNDZHWOWJOUIK-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874643 1141895416 /nfs/dbraw/zinc/89/54/16/1141895416.db2.gz VXKBBWLBKHYILF-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP O[C@@]1(C[NH+]2CCC(S)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252928666 1142831501 /nfs/dbraw/zinc/83/15/01/1142831501.db2.gz AHCZXYOCSUSBEF-QGZVFWFLSA-N 2 1 306.475 2.018 20 30 DEEDMP O[C@@]1(C[NH+]2CCC(S)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252928666 1142831503 /nfs/dbraw/zinc/83/15/03/1142831503.db2.gz AHCZXYOCSUSBEF-QGZVFWFLSA-N 2 1 306.475 2.018 20 30 DEEDMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001253196199 1142852522 /nfs/dbraw/zinc/85/25/22/1142852522.db2.gz UEBXJLNQTJANSY-LJQANCHMSA-N 2 1 315.461 2.440 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC001263106636 1144356322 /nfs/dbraw/zinc/35/63/22/1144356322.db2.gz BGSPKICUSRWQRS-CVEARBPZSA-N 2 1 321.852 2.497 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001263918974 1144423669 /nfs/dbraw/zinc/42/36/69/1144423669.db2.gz AYAOJWPKOZONEU-JKSUJKDBSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001264427513 1144537505 /nfs/dbraw/zinc/53/75/05/1144537505.db2.gz VMXDKNCYHJASTR-BPUTZDHNSA-N 2 1 304.438 2.031 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265395000 1144701759 /nfs/dbraw/zinc/70/17/59/1144701759.db2.gz MWBCSRXENUWOKA-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001265396725 1144701986 /nfs/dbraw/zinc/70/19/86/1144701986.db2.gz KILFANDSCWBSTP-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265446753 1144704666 /nfs/dbraw/zinc/70/46/66/1144704666.db2.gz PSOFTDORFCVUNI-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265619623 1144718755 /nfs/dbraw/zinc/71/87/55/1144718755.db2.gz QEOGHBAIBGYXAP-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266112906 1144806663 /nfs/dbraw/zinc/80/66/63/1144806663.db2.gz CKSAZDYPKGBDJL-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279312100 1144820567 /nfs/dbraw/zinc/82/05/67/1144820567.db2.gz SPEKQZGBMAUHID-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001279360187 1144821120 /nfs/dbraw/zinc/82/11/20/1144821120.db2.gz IOUFFWNZNVCNSR-UHFFFAOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001280356297 1144836521 /nfs/dbraw/zinc/83/65/21/1144836521.db2.gz CDCYFPIETONWPN-CRAIPNDOSA-N 2 1 315.461 2.481 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001280761698 1144853857 /nfs/dbraw/zinc/85/38/57/1144853857.db2.gz ZNQUQILJJVCSDU-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281459137 1144891093 /nfs/dbraw/zinc/89/10/93/1144891093.db2.gz XHCDJWFULCGOBK-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281890723 1144918319 /nfs/dbraw/zinc/91/83/19/1144918319.db2.gz ZODXPJMUPSEECC-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001282558125 1145086397 /nfs/dbraw/zinc/08/63/97/1145086397.db2.gz MQQNTBQTGCGXHC-ROUUACIJSA-N 2 1 321.509 2.347 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001364739110 1145527280 /nfs/dbraw/zinc/52/72/80/1145527280.db2.gz XNEPUFYUTMGPIR-WMZOPIPTSA-N 2 1 304.482 2.171 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284067550 1145783577 /nfs/dbraw/zinc/78/35/77/1145783577.db2.gz LXQYZXZBGOAPSK-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001284072079 1145785870 /nfs/dbraw/zinc/78/58/70/1145785870.db2.gz PFKCPTNLVZXVBB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001284072079 1145785885 /nfs/dbraw/zinc/78/58/85/1145785885.db2.gz PFKCPTNLVZXVBB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001284072079 1145785897 /nfs/dbraw/zinc/78/58/97/1145785897.db2.gz PFKCPTNLVZXVBB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284150271 1145807931 /nfs/dbraw/zinc/80/79/31/1145807931.db2.gz ALUMHRQEDLKICV-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP N#Cc1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001365329245 1145848419 /nfs/dbraw/zinc/84/84/19/1145848419.db2.gz MZCVIDMORGLLMY-UHFFFAOYSA-N 2 1 313.445 2.334 20 30 DEEDMP C=CCOc1cccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001308256219 1147460995 /nfs/dbraw/zinc/46/09/95/1147460995.db2.gz MIOMYORGNCQJBE-WMZOPIPTSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC001308256219 1147461005 /nfs/dbraw/zinc/46/10/05/1147461005.db2.gz MIOMYORGNCQJBE-WMZOPIPTSA-N 2 1 302.418 2.204 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001308421891 1147472497 /nfs/dbraw/zinc/47/24/97/1147472497.db2.gz DFIXGWGJDYMPTK-IAGOWNOFSA-N 2 1 308.466 2.433 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001308421891 1147472503 /nfs/dbraw/zinc/47/25/03/1147472503.db2.gz DFIXGWGJDYMPTK-IAGOWNOFSA-N 2 1 308.466 2.433 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001366875982 1147603239 /nfs/dbraw/zinc/60/32/39/1147603239.db2.gz ALSCROQSILHIGS-OAHLLOKOSA-N 2 1 315.889 2.250 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316983643 1147643429 /nfs/dbraw/zinc/64/34/29/1147643429.db2.gz TZAXUKAGQDCKBU-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001317186996 1147673233 /nfs/dbraw/zinc/67/32/33/1147673233.db2.gz CHWMFAYSCVWPFT-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317299285 1147687377 /nfs/dbraw/zinc/68/73/77/1147687377.db2.gz ANQFUYOEVYJEIC-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317323265 1147690700 /nfs/dbraw/zinc/69/07/00/1147690700.db2.gz UPIOPKUSFHFFHD-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317422628 1147705186 /nfs/dbraw/zinc/70/51/86/1147705186.db2.gz HTQISNKBYIOQIM-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422628 1147705188 /nfs/dbraw/zinc/70/51/88/1147705188.db2.gz HTQISNKBYIOQIM-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422628 1147705189 /nfs/dbraw/zinc/70/51/89/1147705189.db2.gz HTQISNKBYIOQIM-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317427095 1147705894 /nfs/dbraw/zinc/70/58/94/1147705894.db2.gz LZDKKEWOUADLCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317427095 1147705896 /nfs/dbraw/zinc/70/58/96/1147705896.db2.gz LZDKKEWOUADLCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317427095 1147705898 /nfs/dbraw/zinc/70/58/98/1147705898.db2.gz LZDKKEWOUADLCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317622207 1147734155 /nfs/dbraw/zinc/73/41/55/1147734155.db2.gz CJKOHAPAUMHROZ-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001325778958 1147998686 /nfs/dbraw/zinc/99/86/86/1147998686.db2.gz NFQNLEZUJJOQPN-HDICACEKSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001326351024 1148083419 /nfs/dbraw/zinc/08/34/19/1148083419.db2.gz ULEKTNIDXQTACA-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001326458143 1148106835 /nfs/dbraw/zinc/10/68/35/1148106835.db2.gz LHBKCOIMPFVENP-GOSISDBHSA-N 2 1 315.461 2.098 20 30 DEEDMP N#Cc1csc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000594616748 358307272 /nfs/dbraw/zinc/30/72/72/358307272.db2.gz IIYJKJVGASOJPO-OAHLLOKOSA-N 2 1 305.447 2.306 20 30 DEEDMP N#Cc1csc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616748 358307274 /nfs/dbraw/zinc/30/72/74/358307274.db2.gz IIYJKJVGASOJPO-OAHLLOKOSA-N 2 1 305.447 2.306 20 30 DEEDMP N#Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000595056220 358383636 /nfs/dbraw/zinc/38/36/36/358383636.db2.gz DIZIGQFPYLYDRS-LJQANCHMSA-N 2 1 313.445 2.334 20 30 DEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000595896438 358574963 /nfs/dbraw/zinc/57/49/63/358574963.db2.gz OOGGOAAWJVAZBB-IPMKNSEASA-N 2 1 313.445 2.319 20 30 DEEDMP CCCn1ccnc1CCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598611641 359260337 /nfs/dbraw/zinc/26/03/37/359260337.db2.gz VHPLWIZSLRFOGX-HNNXBMFYSA-N 2 1 306.454 2.458 20 30 DEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598611641 359260342 /nfs/dbraw/zinc/26/03/42/359260342.db2.gz VHPLWIZSLRFOGX-HNNXBMFYSA-N 2 1 306.454 2.458 20 30 DEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598611641 359260349 /nfs/dbraw/zinc/26/03/49/359260349.db2.gz VHPLWIZSLRFOGX-HNNXBMFYSA-N 2 1 306.454 2.458 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602561167 360433307 /nfs/dbraw/zinc/43/33/07/360433307.db2.gz WKMHQAONWHMVDT-FUHWJXTLSA-N 2 1 301.434 2.153 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602561167 360433315 /nfs/dbraw/zinc/43/33/15/360433315.db2.gz WKMHQAONWHMVDT-FUHWJXTLSA-N 2 1 301.434 2.153 20 30 DEEDMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1C#N ZINC000443967944 238133004 /nfs/dbraw/zinc/13/30/04/238133004.db2.gz DUTBZOKQLNTGRQ-UHFFFAOYSA-N 2 1 314.477 2.230 20 30 DEEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271817301 209240690 /nfs/dbraw/zinc/24/06/90/209240690.db2.gz BWDZUXBZDQCWRE-CRAIPNDOSA-N 2 1 301.434 2.446 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458327403 248263677 /nfs/dbraw/zinc/26/36/77/248263677.db2.gz WEFFZXZUMRYLEZ-INIZCTEOSA-N 2 1 322.497 2.058 20 30 DEEDMP CCOc1cccc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000135114377 401927209 /nfs/dbraw/zinc/92/72/09/401927209.db2.gz JXQBUNSAYRJHHL-MRXNPFEDSA-N 2 1 318.465 2.016 20 30 DEEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000271817307 402884554 /nfs/dbraw/zinc/88/45/54/402884554.db2.gz BWDZUXBZDQCWRE-YJBOKZPZSA-N 2 1 301.434 2.446 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266754770 402988735 /nfs/dbraw/zinc/98/87/35/402988735.db2.gz OWYWFSAVNXBTCT-CQSZACIVSA-N 2 1 304.438 2.402 20 30 DEEDMP CN(C(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000273370453 402998881 /nfs/dbraw/zinc/99/88/81/402998881.db2.gz VONYCQFAYPSYBA-UHFFFAOYSA-N 2 1 300.450 2.232 20 30 DEEDMP CN(C(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000273370453 402998884 /nfs/dbraw/zinc/99/88/84/402998884.db2.gz VONYCQFAYPSYBA-UHFFFAOYSA-N 2 1 300.450 2.232 20 30 DEEDMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1C#N ZINC000278017658 403280015 /nfs/dbraw/zinc/28/00/15/403280015.db2.gz WGEDIHVFXVZWHJ-OAHLLOKOSA-N 2 1 317.433 2.157 20 30 DEEDMP C[N@@H+]1CC=C(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286337904 403503019 /nfs/dbraw/zinc/50/30/19/403503019.db2.gz YSWXYMAAERVCKS-UHFFFAOYSA-N 2 1 310.445 2.379 20 30 DEEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1O ZINC000346855809 403605040 /nfs/dbraw/zinc/60/50/40/403605040.db2.gz VUOTYCDIRNSDBP-HRCADAONSA-N 2 1 302.418 2.298 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343922867 403793423 /nfs/dbraw/zinc/79/34/23/403793423.db2.gz LEYJNNIKSRXOLY-VQIMIIECSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343922867 403793426 /nfs/dbraw/zinc/79/34/26/403793426.db2.gz LEYJNNIKSRXOLY-VQIMIIECSA-N 2 1 312.461 2.016 20 30 DEEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332450 404060942 /nfs/dbraw/zinc/06/09/42/404060942.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332450 404060948 /nfs/dbraw/zinc/06/09/48/404060948.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332450 404060954 /nfs/dbraw/zinc/06/09/54/404060954.db2.gz UTTQMZAMWUOWMD-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000357955398 404749083 /nfs/dbraw/zinc/74/90/83/404749083.db2.gz IQGGYXSHYKVSPO-OAHLLOKOSA-N 2 1 310.486 2.056 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635532042 406577059 /nfs/dbraw/zinc/57/70/59/406577059.db2.gz YNBNBQWBVXSLAA-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000491814059 406733236 /nfs/dbraw/zinc/73/32/36/406733236.db2.gz CGZQXBYZPXWPRO-HXUWFJFHSA-N 2 1 310.441 2.288 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000491814059 406733246 /nfs/dbraw/zinc/73/32/46/406733246.db2.gz CGZQXBYZPXWPRO-HXUWFJFHSA-N 2 1 310.441 2.288 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000491771951 406711152 /nfs/dbraw/zinc/71/11/52/406711152.db2.gz RWVLYMWWPUMFPD-KRWDZBQOSA-N 2 1 306.450 2.138 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)N1 ZINC000262660344 225280666 /nfs/dbraw/zinc/28/06/66/225280666.db2.gz MUQZTGIBWYWWQC-HUUCEWRRSA-N 2 1 300.450 2.498 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899216 782033293 /nfs/dbraw/zinc/03/32/93/782033293.db2.gz SGFZTCAIUKLNTN-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC000648782402 424905213 /nfs/dbraw/zinc/90/52/13/424905213.db2.gz GHJGYPCYSUXJTJ-ZACQAIPSSA-N 2 1 307.482 2.141 20 30 DEEDMP C=CC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662788979 425735347 /nfs/dbraw/zinc/73/53/47/425735347.db2.gz XXYLGZYTFSTUFV-SFHVURJKSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CCC[NH2+]1 ZINC000662702094 425717395 /nfs/dbraw/zinc/71/73/95/425717395.db2.gz WLKHZHDBEMBGTQ-AEFFLSMTSA-N 2 1 307.482 2.456 20 30 DEEDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1(C)C ZINC000353631829 277106547 /nfs/dbraw/zinc/10/65/47/277106547.db2.gz JHOIIIQFDKODHO-GOSISDBHSA-N 2 1 312.461 2.161 20 30 DEEDMP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000562985377 333010847 /nfs/dbraw/zinc/01/08/47/333010847.db2.gz QHNCSICQPVQJEY-INIZCTEOSA-N 2 1 300.406 2.160 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702497 335148607 /nfs/dbraw/zinc/14/86/07/335148607.db2.gz IRTVIPUOKVNLAF-IAGOWNOFSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702497 335148609 /nfs/dbraw/zinc/14/86/09/335148609.db2.gz IRTVIPUOKVNLAF-IAGOWNOFSA-N 2 1 319.493 2.430 20 30 DEEDMP CN(CC[N@@H+](C)Cc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000343767686 335191508 /nfs/dbraw/zinc/19/15/08/335191508.db2.gz ONAQNHFTUREXDP-UHFFFAOYSA-N 2 1 314.477 2.210 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001329935533 1149018351 /nfs/dbraw/zinc/01/83/51/1149018351.db2.gz DLSXYOUOGAZHEU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001329935533 1149018356 /nfs/dbraw/zinc/01/83/56/1149018356.db2.gz DLSXYOUOGAZHEU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938826 1149020232 /nfs/dbraw/zinc/02/02/32/1149020232.db2.gz RQLQIEXXWHLSPB-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000264095858 533988026 /nfs/dbraw/zinc/98/80/26/533988026.db2.gz MMARUFWMFKHMNU-CYBMUJFWSA-N 2 1 320.437 2.305 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)N1 ZINC000262660348 533990243 /nfs/dbraw/zinc/99/02/43/533990243.db2.gz MUQZTGIBWYWWQC-LSDHHAIUSA-N 2 1 300.450 2.498 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261996001 526393711 /nfs/dbraw/zinc/39/37/11/526393711.db2.gz SLAHEKBOPRNRLR-UONOGXRCSA-N 2 1 308.495 2.450 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)NC1CC1 ZINC000264024514 526413501 /nfs/dbraw/zinc/41/35/01/526413501.db2.gz AXXBLKCPODWVJS-KRWDZBQOSA-N 2 1 316.449 2.160 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000294904108 526827954 /nfs/dbraw/zinc/82/79/54/526827954.db2.gz FRRSUBMHNFVBTI-UHFFFAOYSA-N 2 1 310.445 2.072 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000294904108 526827961 /nfs/dbraw/zinc/82/79/61/526827961.db2.gz FRRSUBMHNFVBTI-UHFFFAOYSA-N 2 1 310.445 2.072 20 30 DEEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246008733 527016075 /nfs/dbraw/zinc/01/60/75/527016075.db2.gz KSBGAYURDBFNOE-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348323795 528172711 /nfs/dbraw/zinc/17/27/11/528172711.db2.gz SPLLCICPCZLJBN-DLBZAZTESA-N 2 1 322.497 2.239 20 30 DEEDMP CC1CC[NH+]([C@H](CNC2=[NH+]CCN2C)c2cccs2)CC1 ZINC000262679003 528262074 /nfs/dbraw/zinc/26/20/74/528262074.db2.gz VDHNWTAHFBYXLA-CQSZACIVSA-N 2 1 306.479 2.412 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732799 529100986 /nfs/dbraw/zinc/10/09/86/529100986.db2.gz OKXRSLVDLPAFBS-ZDUSSCGKSA-N 2 1 302.413 2.201 20 30 DEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264281946 529341077 /nfs/dbraw/zinc/34/10/77/529341077.db2.gz NYRBDHJJKHXMIE-GFCCVEGCSA-N 2 1 308.426 2.161 20 30 DEEDMP C[C@@H](C#N)OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001414035087 1152540725 /nfs/dbraw/zinc/54/07/25/1152540725.db2.gz JTYVYHRQVFPYHD-YTQUADARSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@@H](C#N)OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001414035087 1152540732 /nfs/dbraw/zinc/54/07/32/1152540732.db2.gz JTYVYHRQVFPYHD-YTQUADARSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001414035087 1152540737 /nfs/dbraw/zinc/54/07/37/1152540737.db2.gz JTYVYHRQVFPYHD-YTQUADARSA-N 2 1 313.445 2.369 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001414035087 1152540746 /nfs/dbraw/zinc/54/07/46/1152540746.db2.gz JTYVYHRQVFPYHD-YTQUADARSA-N 2 1 313.445 2.369 20 30 DEEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001327982421 1148691833 /nfs/dbraw/zinc/69/18/33/1148691833.db2.gz QIYWLTVCRQRJSN-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001330599362 1149207166 /nfs/dbraw/zinc/20/71/66/1149207166.db2.gz KUKACALXAQRVOJ-JYJNAYRXSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472434 625466198 /nfs/dbraw/zinc/46/61/98/625466198.db2.gz QEFYINSZPDLCLL-ZBFHGGJFSA-N 2 1 312.417 2.351 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cc(OC)c(OC)cc1SC ZINC000327992180 625488129 /nfs/dbraw/zinc/48/81/29/625488129.db2.gz LOOVFPOYWDJIAU-UHFFFAOYSA-N 2 1 322.474 2.470 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1cc(OC)c(OC)cc1SC ZINC000327992180 625488133 /nfs/dbraw/zinc/48/81/33/625488133.db2.gz LOOVFPOYWDJIAU-UHFFFAOYSA-N 2 1 322.474 2.470 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514406 625493247 /nfs/dbraw/zinc/49/32/47/625493247.db2.gz AZXJQAMPGWLZSZ-LSDHHAIUSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001026515810 625493585 /nfs/dbraw/zinc/49/35/85/625493585.db2.gz KLQHPXUJABGKPS-NRXISQOPSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144885 622588178 /nfs/dbraw/zinc/58/81/78/622588178.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144885 622588180 /nfs/dbraw/zinc/58/81/80/622588180.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144885 622588187 /nfs/dbraw/zinc/58/81/87/622588187.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144885 622588190 /nfs/dbraw/zinc/58/81/90/622588190.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144885 622588194 /nfs/dbraw/zinc/58/81/94/622588194.db2.gz VVULWUKBIXPGNV-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020675727 623057125 /nfs/dbraw/zinc/05/71/25/623057125.db2.gz COWGILAESLZFBS-KKUMJFAQSA-N 2 1 313.873 2.239 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596977 625619045 /nfs/dbraw/zinc/61/90/45/625619045.db2.gz KQQHXRYMJBTCGV-GJZGRUSLSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596977 625619049 /nfs/dbraw/zinc/61/90/49/625619049.db2.gz KQQHXRYMJBTCGV-GJZGRUSLSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326400 623403025 /nfs/dbraw/zinc/40/30/25/623403025.db2.gz RMMKRMOEEBJKKU-QAPCUYQASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645754 623894480 /nfs/dbraw/zinc/89/44/80/623894480.db2.gz MNKCULDOYYGCKS-IAGOWNOFSA-N 2 1 316.449 2.162 20 30 DEEDMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670230 623929179 /nfs/dbraw/zinc/92/91/79/623929179.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670230 623929185 /nfs/dbraw/zinc/92/91/85/623929185.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670230 623929191 /nfs/dbraw/zinc/92/91/91/623929191.db2.gz JMVLBASDNAWVAZ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP N#Cc1ccc(CC[NH+]2CCC(N3CCCOCC3)CC2)cc1 ZINC000931284965 625690506 /nfs/dbraw/zinc/69/05/06/625690506.db2.gz FYQYBIQPEWEJRM-UHFFFAOYSA-N 2 1 313.445 2.287 20 30 DEEDMP N#Cc1ccc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931284965 625690511 /nfs/dbraw/zinc/69/05/11/625690511.db2.gz FYQYBIQPEWEJRM-UHFFFAOYSA-N 2 1 313.445 2.287 20 30 DEEDMP N#Cc1ccc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931284965 625690514 /nfs/dbraw/zinc/69/05/14/625690514.db2.gz FYQYBIQPEWEJRM-UHFFFAOYSA-N 2 1 313.445 2.287 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024813327 625066209 /nfs/dbraw/zinc/06/62/09/625066209.db2.gz ZGCGQEPYDFCBEJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551482 625232500 /nfs/dbraw/zinc/23/25/00/625232500.db2.gz LBMNIVIYTRLIHV-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498363 625274300 /nfs/dbraw/zinc/27/43/00/625274300.db2.gz KGDFKOJMBNBKSF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498363 625274304 /nfs/dbraw/zinc/27/43/04/625274304.db2.gz KGDFKOJMBNBKSF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498363 625274308 /nfs/dbraw/zinc/27/43/08/625274308.db2.gz KGDFKOJMBNBKSF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695388 634450699 /nfs/dbraw/zinc/45/06/99/634450699.db2.gz SQMUPECFMRKVGN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024522063 625836043 /nfs/dbraw/zinc/83/60/43/625836043.db2.gz YTALVLSKTNRUDE-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024523377 625837930 /nfs/dbraw/zinc/83/79/30/625837930.db2.gz PVLDNGCUQHQYJP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523377 625837933 /nfs/dbraw/zinc/83/79/33/625837933.db2.gz PVLDNGCUQHQYJP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523377 625837938 /nfs/dbraw/zinc/83/79/38/625837938.db2.gz PVLDNGCUQHQYJP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995983833 633153912 /nfs/dbraw/zinc/15/39/12/633153912.db2.gz SERATEORDRIZJI-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974584783 633165474 /nfs/dbraw/zinc/16/54/74/633165474.db2.gz RPQSKIKMERQPLS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974584783 633165478 /nfs/dbraw/zinc/16/54/78/633165478.db2.gz RPQSKIKMERQPLS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997180760 633669307 /nfs/dbraw/zinc/66/93/07/633669307.db2.gz MSSZDKIFZPLPDV-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000997369184 633721116 /nfs/dbraw/zinc/72/11/16/633721116.db2.gz MDKFZOIQIPNFEK-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595436 633891402 /nfs/dbraw/zinc/89/14/02/633891402.db2.gz CPLHIGVNJJPPLX-ZMSDIMECSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886013 634873788 /nfs/dbraw/zinc/87/37/88/634873788.db2.gz MQKDOWWEURKZMB-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886013 634873791 /nfs/dbraw/zinc/87/37/91/634873791.db2.gz MQKDOWWEURKZMB-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980186462 634883949 /nfs/dbraw/zinc/88/39/49/634883949.db2.gz DGWRRGQPQIVYEG-BZSNNMDCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490817 635022166 /nfs/dbraw/zinc/02/21/66/635022166.db2.gz MSBJQXZUECKMOP-IRXDYDNUSA-N 2 1 301.434 2.008 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490817 635022171 /nfs/dbraw/zinc/02/21/71/635022171.db2.gz MSBJQXZUECKMOP-IRXDYDNUSA-N 2 1 301.434 2.008 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681982 635275944 /nfs/dbraw/zinc/27/59/44/635275944.db2.gz GJEYNIODTFUSEZ-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681982 635275951 /nfs/dbraw/zinc/27/59/51/635275951.db2.gz GJEYNIODTFUSEZ-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000681982 635275957 /nfs/dbraw/zinc/27/59/57/635275957.db2.gz GJEYNIODTFUSEZ-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000766495 635289974 /nfs/dbraw/zinc/28/99/74/635289974.db2.gz GSXZQZABABWXMB-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000766495 635289977 /nfs/dbraw/zinc/28/99/77/635289977.db2.gz GSXZQZABABWXMB-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000766495 635289982 /nfs/dbraw/zinc/28/99/82/635289982.db2.gz GSXZQZABABWXMB-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228870 635431366 /nfs/dbraw/zinc/43/13/66/635431366.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228870 635431370 /nfs/dbraw/zinc/43/13/70/635431370.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228870 635431371 /nfs/dbraw/zinc/43/13/71/635431371.db2.gz FPYVMIHRWYSJIL-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801048 635655930 /nfs/dbraw/zinc/65/59/30/635655930.db2.gz NWWXHLVYIKBHJZ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801048 635655932 /nfs/dbraw/zinc/65/59/32/635655932.db2.gz NWWXHLVYIKBHJZ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801048 635655937 /nfs/dbraw/zinc/65/59/37/635655937.db2.gz NWWXHLVYIKBHJZ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981809226 635665069 /nfs/dbraw/zinc/66/50/69/635665069.db2.gz AFBOPTJQGGLQOM-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981809226 635665074 /nfs/dbraw/zinc/66/50/74/635665074.db2.gz AFBOPTJQGGLQOM-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822468 635673723 /nfs/dbraw/zinc/67/37/23/635673723.db2.gz LDNAWDVILSZDAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822468 635673726 /nfs/dbraw/zinc/67/37/26/635673726.db2.gz LDNAWDVILSZDAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822468 635673727 /nfs/dbraw/zinc/67/37/27/635673727.db2.gz LDNAWDVILSZDAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864956 635699372 /nfs/dbraw/zinc/69/93/72/635699372.db2.gz IUQANWOSKIUVOS-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181644 635783050 /nfs/dbraw/zinc/78/30/50/635783050.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181644 635783052 /nfs/dbraw/zinc/78/30/52/635783052.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181644 635783055 /nfs/dbraw/zinc/78/30/55/635783055.db2.gz XGEXCWUPSQUHCQ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809541 /nfs/dbraw/zinc/80/95/41/635809541.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809547 /nfs/dbraw/zinc/80/95/47/635809547.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982011390 635809550 /nfs/dbraw/zinc/80/95/50/635809550.db2.gz AGKKTNPUTMRPGR-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000982042266 635841502 /nfs/dbraw/zinc/84/15/02/635841502.db2.gz JYEFQCOREUWVAM-INIZCTEOSA-N 2 1 316.449 2.335 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003015429 635884511 /nfs/dbraw/zinc/88/45/11/635884511.db2.gz DLBPBDNVRUXFFT-MRXNPFEDSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152089 635891707 /nfs/dbraw/zinc/89/17/07/635891707.db2.gz RKJREYSKJFPTNI-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001004069295 636136968 /nfs/dbraw/zinc/13/69/68/636136968.db2.gz XBAZTYXTIHIGIJ-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553992 636262649 /nfs/dbraw/zinc/26/26/49/636262649.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553992 636262651 /nfs/dbraw/zinc/26/26/51/636262651.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553992 636262655 /nfs/dbraw/zinc/26/26/55/636262655.db2.gz RCLYXEZGWAUVJH-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263571 /nfs/dbraw/zinc/26/35/71/636263571.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263574 /nfs/dbraw/zinc/26/35/74/636263574.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554078 636263579 /nfs/dbraw/zinc/26/35/79/636263579.db2.gz UMMLQMCJDVEKTG-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571360 636342255 /nfs/dbraw/zinc/34/22/55/636342255.db2.gz AWCYKCBTDSCYAE-AWEZNQCLSA-N 2 1 321.490 2.438 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004458816 636459770 /nfs/dbraw/zinc/45/97/70/636459770.db2.gz QWKSIFYPNHJZAM-ROUUACIJSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004615911 636502364 /nfs/dbraw/zinc/50/23/64/636502364.db2.gz JMVHDOUYXHWFRT-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004615911 636502368 /nfs/dbraw/zinc/50/23/68/636502368.db2.gz JMVHDOUYXHWFRT-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004615911 636502377 /nfs/dbraw/zinc/50/23/77/636502377.db2.gz JMVHDOUYXHWFRT-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711906 636800774 /nfs/dbraw/zinc/80/07/74/636800774.db2.gz WTIGNUBTDSGAOM-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711906 636800778 /nfs/dbraw/zinc/80/07/78/636800778.db2.gz WTIGNUBTDSGAOM-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918331 636849939 /nfs/dbraw/zinc/84/99/39/636849939.db2.gz FGITZAQVBQJNRD-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918331 636849943 /nfs/dbraw/zinc/84/99/43/636849943.db2.gz FGITZAQVBQJNRD-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918331 636849948 /nfs/dbraw/zinc/84/99/48/636849948.db2.gz FGITZAQVBQJNRD-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923487088 637201145 /nfs/dbraw/zinc/20/11/45/637201145.db2.gz WSMUAZYVZADKST-CABCVRRESA-N 2 1 321.490 2.322 20 30 DEEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006277527 637318047 /nfs/dbraw/zinc/31/80/47/637318047.db2.gz GQLNVULZPMOJLX-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP N#Cc1ccc(C[N@H+]2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000741753142 638008470 /nfs/dbraw/zinc/00/84/70/638008470.db2.gz OXJLSQACSSQFLX-UHFFFAOYSA-N 2 1 312.461 2.162 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985429253 639395779 /nfs/dbraw/zinc/39/57/79/639395779.db2.gz NZEBDBFJVMOSSI-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985429253 639395784 /nfs/dbraw/zinc/39/57/84/639395784.db2.gz NZEBDBFJVMOSSI-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985429253 639395787 /nfs/dbraw/zinc/39/57/87/639395787.db2.gz NZEBDBFJVMOSSI-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985685704 639584150 /nfs/dbraw/zinc/58/41/50/639584150.db2.gz IKUZMROPCDABOO-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985685704 639584155 /nfs/dbraw/zinc/58/41/55/639584155.db2.gz IKUZMROPCDABOO-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985685704 639584158 /nfs/dbraw/zinc/58/41/58/639584158.db2.gz IKUZMROPCDABOO-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000764454846 640637996 /nfs/dbraw/zinc/63/79/96/640637996.db2.gz ADMQCRQWRSRCRP-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000764506120 640649083 /nfs/dbraw/zinc/64/90/83/640649083.db2.gz CKORBCAOKSTJTJ-OAHLLOKOSA-N 2 1 317.433 2.136 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739028 641216762 /nfs/dbraw/zinc/21/67/62/641216762.db2.gz LNYJUDFSRJEVBB-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739028 641216765 /nfs/dbraw/zinc/21/67/65/641216765.db2.gz LNYJUDFSRJEVBB-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990026094 641324079 /nfs/dbraw/zinc/32/40/79/641324079.db2.gz MBPDEMZNBDMTBW-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990026094 641324085 /nfs/dbraw/zinc/32/40/85/641324085.db2.gz MBPDEMZNBDMTBW-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026094 641324086 /nfs/dbraw/zinc/32/40/86/641324086.db2.gz MBPDEMZNBDMTBW-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026094 641324091 /nfs/dbraw/zinc/32/40/91/641324091.db2.gz MBPDEMZNBDMTBW-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785840 642070600 /nfs/dbraw/zinc/07/06/00/642070600.db2.gz AAGRTIVDIBDWMI-VXIBKDFQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785840 642070602 /nfs/dbraw/zinc/07/06/02/642070602.db2.gz AAGRTIVDIBDWMI-VXIBKDFQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785840 642070608 /nfs/dbraw/zinc/07/06/08/642070608.db2.gz AAGRTIVDIBDWMI-VXIBKDFQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000900719500 642451332 /nfs/dbraw/zinc/45/13/32/642451332.db2.gz BKRZJCATRMBANL-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C[NH+]1CCC(C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000788482279 643615428 /nfs/dbraw/zinc/61/54/28/643615428.db2.gz LWUUQXZAAUUSIY-UHFFFAOYSA-N 2 1 312.461 2.412 20 30 DEEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000904470915 643676908 /nfs/dbraw/zinc/67/69/08/643676908.db2.gz CXTRLCOOYCKZPW-SJLPKXTDSA-N 2 1 309.369 2.497 20 30 DEEDMP C=C(Br)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961033 646784451 /nfs/dbraw/zinc/78/44/51/646784451.db2.gz XBMUVROGQPXGRJ-UHFFFAOYSA-N 2 1 317.271 2.472 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000992111779 646855410 /nfs/dbraw/zinc/85/54/10/646855410.db2.gz MBPDEMZNBDMTBW-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC000992111779 646855417 /nfs/dbraw/zinc/85/54/17/646855417.db2.gz MBPDEMZNBDMTBW-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC000992111779 646855419 /nfs/dbraw/zinc/85/54/19/646855419.db2.gz MBPDEMZNBDMTBW-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992111779 646855423 /nfs/dbraw/zinc/85/54/23/646855423.db2.gz MBPDEMZNBDMTBW-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC000992111779 646855427 /nfs/dbraw/zinc/85/54/27/646855427.db2.gz MBPDEMZNBDMTBW-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353888 646956025 /nfs/dbraw/zinc/95/60/25/646956025.db2.gz SYJDCGAWGIPSSF-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353888 646956026 /nfs/dbraw/zinc/95/60/26/646956026.db2.gz SYJDCGAWGIPSSF-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992435478 647000891 /nfs/dbraw/zinc/00/08/91/647000891.db2.gz UWEWBRRWLBJQOM-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435478 647000893 /nfs/dbraw/zinc/00/08/93/647000893.db2.gz UWEWBRRWLBJQOM-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435478 647000897 /nfs/dbraw/zinc/00/08/97/647000897.db2.gz UWEWBRRWLBJQOM-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993487097 647685214 /nfs/dbraw/zinc/68/52/14/647685214.db2.gz FHQNCIILCWRWGH-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993528260 647690190 /nfs/dbraw/zinc/69/01/90/647690190.db2.gz KBKBXNMBSCBZGS-QAPCUYQASA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015714388 647887350 /nfs/dbraw/zinc/88/73/50/647887350.db2.gz YFRVXEHKEPORQU-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H]1C ZINC000994297382 647905132 /nfs/dbraw/zinc/90/51/32/647905132.db2.gz FWTYEPPJAACZNU-LSDHHAIUSA-N 2 1 304.438 2.196 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940801148 648945049 /nfs/dbraw/zinc/94/50/49/648945049.db2.gz ODZPSTYMPVJXGJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801148 648945051 /nfs/dbraw/zinc/94/50/51/648945051.db2.gz ODZPSTYMPVJXGJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801148 648945052 /nfs/dbraw/zinc/94/50/52/648945052.db2.gz ODZPSTYMPVJXGJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798306 648948498 /nfs/dbraw/zinc/94/84/98/648948498.db2.gz GDGZXDPYKILBEQ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798306 648948499 /nfs/dbraw/zinc/94/84/99/648948499.db2.gz GDGZXDPYKILBEQ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798306 648948500 /nfs/dbraw/zinc/94/85/00/648948500.db2.gz GDGZXDPYKILBEQ-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033867 648990504 /nfs/dbraw/zinc/99/05/04/648990504.db2.gz WWPWZGAJXAAOMT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033867 648990505 /nfs/dbraw/zinc/99/05/05/648990505.db2.gz WWPWZGAJXAAOMT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033867 648990509 /nfs/dbraw/zinc/99/05/09/648990509.db2.gz WWPWZGAJXAAOMT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033869 648990596 /nfs/dbraw/zinc/99/05/96/648990596.db2.gz WWPWZGAJXAAOMT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033869 648990601 /nfs/dbraw/zinc/99/06/01/648990601.db2.gz WWPWZGAJXAAOMT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033869 648990604 /nfs/dbraw/zinc/99/06/04/648990604.db2.gz WWPWZGAJXAAOMT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257191 649192121 /nfs/dbraw/zinc/19/21/21/649192121.db2.gz KYQWVCIRAVEAFQ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756599 649422727 /nfs/dbraw/zinc/42/27/27/649422727.db2.gz SAFXXXXZKQADCN-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCOCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000852022386 652317446 /nfs/dbraw/zinc/31/74/46/652317446.db2.gz LDPSDXFFJJZHQK-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP C#CCOCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000852022386 652317450 /nfs/dbraw/zinc/31/74/50/652317450.db2.gz LDPSDXFFJJZHQK-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP C#CCOCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000852022386 652317452 /nfs/dbraw/zinc/31/74/52/652317452.db2.gz LDPSDXFFJJZHQK-MRXNPFEDSA-N 2 1 306.475 2.460 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304739176 685258790 /nfs/dbraw/zinc/25/87/90/685258790.db2.gz BCPQTWVBWZPXMB-QGZVFWFLSA-N 3 1 323.529 2.031 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCSCC1 ZINC000304757162 685260059 /nfs/dbraw/zinc/26/00/59/685260059.db2.gz OMFAVGAQHISCFC-MRXNPFEDSA-N 2 1 318.490 2.015 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245922455 685120328 /nfs/dbraw/zinc/12/03/28/685120328.db2.gz UUXLXMBQYWFXLY-LSDHHAIUSA-N 2 1 318.465 2.220 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000929790789 694028491 /nfs/dbraw/zinc/02/84/91/694028491.db2.gz MXNOBQSGCDWHTE-KRWDZBQOSA-N 2 1 313.445 2.270 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000929790789 694028494 /nfs/dbraw/zinc/02/84/94/694028494.db2.gz MXNOBQSGCDWHTE-KRWDZBQOSA-N 2 1 313.445 2.270 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000929790789 694028499 /nfs/dbraw/zinc/02/84/99/694028499.db2.gz MXNOBQSGCDWHTE-KRWDZBQOSA-N 2 1 313.445 2.270 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631537 687669112 /nfs/dbraw/zinc/66/91/12/687669112.db2.gz UGIJSMXMXUONNI-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630927 687669591 /nfs/dbraw/zinc/66/95/91/687669591.db2.gz LLBGXANLRGJLEO-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017620703 687926611 /nfs/dbraw/zinc/92/66/11/687926611.db2.gz ROWTXSUFDDNZBC-OWCLPIDISA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001017620703 687926612 /nfs/dbraw/zinc/92/66/12/687926612.db2.gz ROWTXSUFDDNZBC-OWCLPIDISA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018301416 688104572 /nfs/dbraw/zinc/10/45/72/688104572.db2.gz RCLPYCFMJCAHAY-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001018315419 688107686 /nfs/dbraw/zinc/10/76/86/688107686.db2.gz YZSOXSWOGZXGSA-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001018315419 688107690 /nfs/dbraw/zinc/10/76/90/688107690.db2.gz YZSOXSWOGZXGSA-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001018315419 688107694 /nfs/dbraw/zinc/10/76/94/688107694.db2.gz YZSOXSWOGZXGSA-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031767280 688993009 /nfs/dbraw/zinc/99/30/09/688993009.db2.gz UXLHXGCAEUUYBW-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027041 689044721 /nfs/dbraw/zinc/04/47/21/689044721.db2.gz MHDLAENZBLSHBV-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684734 689224461 /nfs/dbraw/zinc/22/44/61/689224461.db2.gz SVLQEDRFUKREPD-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684734 689224463 /nfs/dbraw/zinc/22/44/63/689224463.db2.gz SVLQEDRFUKREPD-ROUUACIJSA-N 2 1 313.445 2.223 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803706 689266075 /nfs/dbraw/zinc/26/60/75/689266075.db2.gz KACYZNMSJVZYBO-BZSNNMDCSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001032803706 689266078 /nfs/dbraw/zinc/26/60/78/689266078.db2.gz KACYZNMSJVZYBO-BZSNNMDCSA-N 2 1 313.445 2.151 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033083706 689380866 /nfs/dbraw/zinc/38/08/66/689380866.db2.gz WZNWSRDGFGNYRY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033083706 689380869 /nfs/dbraw/zinc/38/08/69/689380869.db2.gz WZNWSRDGFGNYRY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033083706 689380871 /nfs/dbraw/zinc/38/08/71/689380871.db2.gz WZNWSRDGFGNYRY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033099297 689386754 /nfs/dbraw/zinc/38/67/54/689386754.db2.gz OXKBQHXVTNIUCN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033099297 689386759 /nfs/dbraw/zinc/38/67/59/689386759.db2.gz OXKBQHXVTNIUCN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033099297 689386763 /nfs/dbraw/zinc/38/67/63/689386763.db2.gz OXKBQHXVTNIUCN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143970 689402581 /nfs/dbraw/zinc/40/25/81/689402581.db2.gz OWFYUEAVGVXQIJ-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143970 689402583 /nfs/dbraw/zinc/40/25/83/689402583.db2.gz OWFYUEAVGVXQIJ-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143970 689402586 /nfs/dbraw/zinc/40/25/86/689402586.db2.gz OWFYUEAVGVXQIJ-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145578 689404090 /nfs/dbraw/zinc/40/40/90/689404090.db2.gz IGFHBOBGHLOKIE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145578 689404091 /nfs/dbraw/zinc/40/40/91/689404091.db2.gz IGFHBOBGHLOKIE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145578 689404094 /nfs/dbraw/zinc/40/40/94/689404094.db2.gz IGFHBOBGHLOKIE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033575368 689548741 /nfs/dbraw/zinc/54/87/41/689548741.db2.gz RBMIFJRGPUTABK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033575368 689548742 /nfs/dbraw/zinc/54/87/42/689548742.db2.gz RBMIFJRGPUTABK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033575368 689548743 /nfs/dbraw/zinc/54/87/43/689548743.db2.gz RBMIFJRGPUTABK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001034045842 689705244 /nfs/dbraw/zinc/70/52/44/689705244.db2.gz NTFZCLYZPJBONP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP N#CC1(CCCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000931064714 694308592 /nfs/dbraw/zinc/30/85/92/694308592.db2.gz BPVUXROWMZXHNX-KRWDZBQOSA-N 2 1 305.466 2.382 20 30 DEEDMP N#CC1(CCCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000931064714 694308597 /nfs/dbraw/zinc/30/85/97/694308597.db2.gz BPVUXROWMZXHNX-KRWDZBQOSA-N 2 1 305.466 2.382 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251165 689782063 /nfs/dbraw/zinc/78/20/63/689782063.db2.gz WHCPRUCJIBEFQM-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251165 689782067 /nfs/dbraw/zinc/78/20/67/689782067.db2.gz WHCPRUCJIBEFQM-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034370525 689826049 /nfs/dbraw/zinc/82/60/49/689826049.db2.gz XMKJPXYKWWZDRY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034370525 689826052 /nfs/dbraw/zinc/82/60/52/689826052.db2.gz XMKJPXYKWWZDRY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034370525 689826053 /nfs/dbraw/zinc/82/60/53/689826053.db2.gz XMKJPXYKWWZDRY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000876691048 689904603 /nfs/dbraw/zinc/90/46/03/689904603.db2.gz YMUZXLMLVJFUSI-UHFFFAOYSA-N 2 1 300.450 2.398 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034676395 689924721 /nfs/dbraw/zinc/92/47/21/689924721.db2.gz YIDYTARQWCWKKD-QBPKDAKJSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120436 690023210 /nfs/dbraw/zinc/02/32/10/690023210.db2.gz ROIMEEWMYHTDAW-HZPDHXFCSA-N 2 1 321.852 2.095 20 30 DEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036093707 690258790 /nfs/dbraw/zinc/25/87/90/690258790.db2.gz FWHDJNNJRJLYSS-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759879 690461917 /nfs/dbraw/zinc/46/19/17/690461917.db2.gz RWYNTHGSHVLCTQ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801202 690478599 /nfs/dbraw/zinc/47/85/99/690478599.db2.gz IAWCEXXWAVTWPL-ZBFHGGJFSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801202 690478601 /nfs/dbraw/zinc/47/86/01/690478601.db2.gz IAWCEXXWAVTWPL-ZBFHGGJFSA-N 2 1 317.433 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001038624893 690879382 /nfs/dbraw/zinc/87/93/82/690879382.db2.gz OWZSKTVQRGWZBF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001038624893 690879385 /nfs/dbraw/zinc/87/93/85/690879385.db2.gz OWZSKTVQRGWZBF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001038624893 690879389 /nfs/dbraw/zinc/87/93/89/690879389.db2.gz OWZSKTVQRGWZBF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038907667 690963551 /nfs/dbraw/zinc/96/35/51/690963551.db2.gz CZOHFDRDPBZXGQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038907667 690963553 /nfs/dbraw/zinc/96/35/53/690963553.db2.gz CZOHFDRDPBZXGQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038907667 690963556 /nfs/dbraw/zinc/96/35/56/690963556.db2.gz CZOHFDRDPBZXGQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038907667 690963557 /nfs/dbraw/zinc/96/35/57/690963557.db2.gz CZOHFDRDPBZXGQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039134005 691029465 /nfs/dbraw/zinc/02/94/65/691029465.db2.gz NQYUESBPMABGIB-QZTJIDSGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140454 691031832 /nfs/dbraw/zinc/03/18/32/691031832.db2.gz VGTYGOBBBRZVAZ-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140454 691031834 /nfs/dbraw/zinc/03/18/34/691031834.db2.gz VGTYGOBBBRZVAZ-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140454 691031835 /nfs/dbraw/zinc/03/18/35/691031835.db2.gz VGTYGOBBBRZVAZ-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039386397 691094869 /nfs/dbraw/zinc/09/48/69/691094869.db2.gz NCCZJHHEDYCMNV-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039386397 691094872 /nfs/dbraw/zinc/09/48/72/691094872.db2.gz NCCZJHHEDYCMNV-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039386397 691094875 /nfs/dbraw/zinc/09/48/75/691094875.db2.gz NCCZJHHEDYCMNV-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240161 691218623 /nfs/dbraw/zinc/21/86/23/691218623.db2.gz CHSYFRPJJNDATP-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263869 691222078 /nfs/dbraw/zinc/22/20/78/691222078.db2.gz JCYDGJIVYZUFBC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263869 691222080 /nfs/dbraw/zinc/22/20/80/691222080.db2.gz JCYDGJIVYZUFBC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263869 691222082 /nfs/dbraw/zinc/22/20/82/691222082.db2.gz JCYDGJIVYZUFBC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263867 691222444 /nfs/dbraw/zinc/22/24/44/691222444.db2.gz JCYDGJIVYZUFBC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263867 691222447 /nfs/dbraw/zinc/22/24/47/691222447.db2.gz JCYDGJIVYZUFBC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263867 691222451 /nfs/dbraw/zinc/22/24/51/691222451.db2.gz JCYDGJIVYZUFBC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381474 691239600 /nfs/dbraw/zinc/23/96/00/691239600.db2.gz XHMXGFNDGYNCNT-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040527115 691261720 /nfs/dbraw/zinc/26/17/20/691261720.db2.gz FSTGPRHGIWNCKH-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040527115 691261723 /nfs/dbraw/zinc/26/17/23/691261723.db2.gz FSTGPRHGIWNCKH-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040527115 691261727 /nfs/dbraw/zinc/26/17/27/691261727.db2.gz FSTGPRHGIWNCKH-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673285 691408510 /nfs/dbraw/zinc/40/85/10/691408510.db2.gz WLTQJDZDFFMROG-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673285 691408511 /nfs/dbraw/zinc/40/85/11/691408511.db2.gz WLTQJDZDFFMROG-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122413 691513958 /nfs/dbraw/zinc/51/39/58/691513958.db2.gz NHRUOOCBUAHJEX-CRAIPNDOSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044761417 691883335 /nfs/dbraw/zinc/88/33/35/691883335.db2.gz WPVGMAKDYUSBEI-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949048 692060911 /nfs/dbraw/zinc/06/09/11/692060911.db2.gz XRFMPTZWGCPTHO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949048 692060915 /nfs/dbraw/zinc/06/09/15/692060915.db2.gz XRFMPTZWGCPTHO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949048 692060919 /nfs/dbraw/zinc/06/09/19/692060919.db2.gz XRFMPTZWGCPTHO-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049096968 692763661 /nfs/dbraw/zinc/76/36/61/692763661.db2.gz FKPOWBJEPHHVTQ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096968 692763663 /nfs/dbraw/zinc/76/36/63/692763663.db2.gz FKPOWBJEPHHVTQ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096968 692763666 /nfs/dbraw/zinc/76/36/66/692763666.db2.gz FKPOWBJEPHHVTQ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165669 692777659 /nfs/dbraw/zinc/77/76/59/692777659.db2.gz XUERBETZFIQHLB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165669 692777662 /nfs/dbraw/zinc/77/76/62/692777662.db2.gz XUERBETZFIQHLB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165669 692777664 /nfs/dbraw/zinc/77/76/64/692777664.db2.gz XUERBETZFIQHLB-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531985 692914026 /nfs/dbraw/zinc/91/40/26/692914026.db2.gz FXRWSOSMHHCCAJ-ULQDDVLXSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819751 693011215 /nfs/dbraw/zinc/01/12/15/693011215.db2.gz HUNDVRRMSWSNPV-ROUUACIJSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841642 693018332 /nfs/dbraw/zinc/01/83/32/693018332.db2.gz SYKYFNYNCHFMGE-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841642 693018334 /nfs/dbraw/zinc/01/83/34/693018334.db2.gz SYKYFNYNCHFMGE-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841642 693018339 /nfs/dbraw/zinc/01/83/39/693018339.db2.gz SYKYFNYNCHFMGE-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052370015 693517365 /nfs/dbraw/zinc/51/73/65/693517365.db2.gz XVPOWXHVAGSLGT-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370015 693517368 /nfs/dbraw/zinc/51/73/68/693517368.db2.gz XVPOWXHVAGSLGT-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370015 693517372 /nfs/dbraw/zinc/51/73/72/693517372.db2.gz XVPOWXHVAGSLGT-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384214 693520950 /nfs/dbraw/zinc/52/09/50/693520950.db2.gz AZGVONXWMUOFHE-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001332032687 1149810991 /nfs/dbraw/zinc/81/09/91/1149810991.db2.gz PYYFPNHSMBVGIT-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001402610479 1162409337 /nfs/dbraw/zinc/40/93/37/1162409337.db2.gz LFTOYRKSECMNNQ-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001402610479 1162409340 /nfs/dbraw/zinc/40/93/40/1162409340.db2.gz LFTOYRKSECMNNQ-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001402610479 1162409343 /nfs/dbraw/zinc/40/93/43/1162409343.db2.gz LFTOYRKSECMNNQ-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543904 1153467681 /nfs/dbraw/zinc/46/76/81/1153467681.db2.gz XOBFYVOEUYCPIH-KBPBESRZSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001393078774 1157660678 /nfs/dbraw/zinc/66/06/78/1157660678.db2.gz IEVVMAKVIFMIHZ-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001376549218 1159528904 /nfs/dbraw/zinc/52/89/04/1159528904.db2.gz SSVSEALGPYAPOD-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377003444 1159871923 /nfs/dbraw/zinc/87/19/23/1159871923.db2.gz JNMZCCCZGDIKGK-AWEZNQCLSA-N 2 1 303.878 2.105 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001377003444 1159871924 /nfs/dbraw/zinc/87/19/24/1159871924.db2.gz JNMZCCCZGDIKGK-AWEZNQCLSA-N 2 1 303.878 2.105 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001401964456 1162199452 /nfs/dbraw/zinc/19/94/52/1162199452.db2.gz TUQYBRLPQNSDQU-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492965629 1165214403 /nfs/dbraw/zinc/21/44/03/1165214403.db2.gz LTGGWCJSCCUKDD-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001418256267 1167523093 /nfs/dbraw/zinc/52/30/93/1167523093.db2.gz KQFVISBUSCXTPZ-AWEZNQCLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001422121111 1172319293 /nfs/dbraw/zinc/31/92/93/1172319293.db2.gz MGKLWNCXGLTRPR-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001422121111 1172319301 /nfs/dbraw/zinc/31/93/01/1172319301.db2.gz MGKLWNCXGLTRPR-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001422137144 1172333868 /nfs/dbraw/zinc/33/38/68/1172333868.db2.gz VYGAAPKVXXXKOP-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001422137144 1172333872 /nfs/dbraw/zinc/33/38/72/1172333872.db2.gz VYGAAPKVXXXKOP-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001422137144 1172333875 /nfs/dbraw/zinc/33/38/75/1172333875.db2.gz VYGAAPKVXXXKOP-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001422137144 1172333879 /nfs/dbraw/zinc/33/38/79/1172333879.db2.gz VYGAAPKVXXXKOP-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001422933812 1172953407 /nfs/dbraw/zinc/95/34/07/1172953407.db2.gz LZOZXEVVPLRSRK-LSDHHAIUSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423691170 1173494038 /nfs/dbraw/zinc/49/40/38/1173494038.db2.gz ZCXJHMKONNTXGY-ZBFHGGJFSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423691170 1173494041 /nfs/dbraw/zinc/49/40/41/1173494041.db2.gz ZCXJHMKONNTXGY-ZBFHGGJFSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425950118 1174531992 /nfs/dbraw/zinc/53/19/92/1174531992.db2.gz HJTBPZFRSROJKK-ZIAGYGMSSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001438422450 1180409625 /nfs/dbraw/zinc/40/96/25/1180409625.db2.gz SMRRZKCTUCYUML-MRXNPFEDSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001440607075 1181609760 /nfs/dbraw/zinc/60/97/60/1181609760.db2.gz WRWCJTJPYQPKEU-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001440742267 1181669296 /nfs/dbraw/zinc/66/92/96/1181669296.db2.gz YIYMFFJEEIXBBX-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001440742267 1181669303 /nfs/dbraw/zinc/66/93/03/1181669303.db2.gz YIYMFFJEEIXBBX-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001440742267 1181669308 /nfs/dbraw/zinc/66/93/08/1181669308.db2.gz YIYMFFJEEIXBBX-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001440742267 1181669313 /nfs/dbraw/zinc/66/93/13/1181669313.db2.gz YIYMFFJEEIXBBX-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001440742267 1181669317 /nfs/dbraw/zinc/66/93/17/1181669317.db2.gz YIYMFFJEEIXBBX-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001440840328 1181721587 /nfs/dbraw/zinc/72/15/87/1181721587.db2.gz DHGJACVLKRHPEV-STQMWFEESA-N 2 1 312.845 2.242 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001446667383 1184485441 /nfs/dbraw/zinc/48/54/41/1184485441.db2.gz SHZHRZIHZBLPNH-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001446667383 1184485446 /nfs/dbraw/zinc/48/54/46/1184485446.db2.gz SHZHRZIHZBLPNH-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001446667383 1184485447 /nfs/dbraw/zinc/48/54/47/1184485447.db2.gz SHZHRZIHZBLPNH-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001446667383 1184485457 /nfs/dbraw/zinc/48/54/57/1184485457.db2.gz SHZHRZIHZBLPNH-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001449006305 1185481666 /nfs/dbraw/zinc/48/16/66/1185481666.db2.gz COOBYSAVZKJVRP-HOCLYGCPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001449006305 1185481674 /nfs/dbraw/zinc/48/16/74/1185481674.db2.gz COOBYSAVZKJVRP-HOCLYGCPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449006305 1185481678 /nfs/dbraw/zinc/48/16/78/1185481678.db2.gz COOBYSAVZKJVRP-HOCLYGCPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001449006305 1185481687 /nfs/dbraw/zinc/48/16/87/1185481687.db2.gz COOBYSAVZKJVRP-HOCLYGCPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850101 790273253 /nfs/dbraw/zinc/27/32/53/790273253.db2.gz RAIKXTLBYMWIFG-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072850101 790273258 /nfs/dbraw/zinc/27/32/58/790273258.db2.gz RAIKXTLBYMWIFG-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072850101 790273261 /nfs/dbraw/zinc/27/32/61/790273261.db2.gz RAIKXTLBYMWIFG-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001370786635 1149835026 /nfs/dbraw/zinc/83/50/26/1149835026.db2.gz SVOMOCZSEWYDJC-HNNXBMFYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001370786635 1149835028 /nfs/dbraw/zinc/83/50/28/1149835028.db2.gz SVOMOCZSEWYDJC-HNNXBMFYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001370786635 1149835030 /nfs/dbraw/zinc/83/50/30/1149835030.db2.gz SVOMOCZSEWYDJC-HNNXBMFYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001370786635 1149835032 /nfs/dbraw/zinc/83/50/32/1149835032.db2.gz SVOMOCZSEWYDJC-HNNXBMFYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257141 782385621 /nfs/dbraw/zinc/38/56/21/782385621.db2.gz VGAFUOOZANDJQI-SJORKVTESA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332900816 1149920511 /nfs/dbraw/zinc/92/05/11/1149920511.db2.gz WXMZGAXHFHDNFQ-SJORKVTESA-N 2 1 315.461 2.043 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225354 782705829 /nfs/dbraw/zinc/70/58/29/782705829.db2.gz RSYXBYROOFUKFN-HZPDHXFCSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386054 783063017 /nfs/dbraw/zinc/06/30/17/783063017.db2.gz MGQGJJJTCOVEAA-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099323974 783087795 /nfs/dbraw/zinc/08/77/95/783087795.db2.gz DISHXWSATCIFPS-OAHLLOKOSA-N 2 1 318.465 2.444 20 30 DEEDMP Cc1ccc(CC#N)c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]1 ZINC001167208370 776768098 /nfs/dbraw/zinc/76/80/98/776768098.db2.gz YQKYOKWWOHLHHK-QUCCMNQESA-N 2 1 318.424 2.434 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167225172 776782156 /nfs/dbraw/zinc/78/21/56/776782156.db2.gz PSJHDJGHMSSGCA-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310760 777015273 /nfs/dbraw/zinc/01/52/73/777015273.db2.gz HDNYPAYPCGTNGF-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H](C)[NH3+])cc1 ZINC001171070146 790551362 /nfs/dbraw/zinc/55/13/62/790551362.db2.gz ZRIPDLJSKILBEH-BBRMVZONSA-N 2 1 305.422 2.345 20 30 DEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167700684 777898140 /nfs/dbraw/zinc/89/81/40/777898140.db2.gz SRJZWEKWHJJLEP-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642071 779390592 /nfs/dbraw/zinc/39/05/92/779390592.db2.gz SKPCGXRTSUCCFB-DLBZAZTESA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684596 779408653 /nfs/dbraw/zinc/40/86/53/779408653.db2.gz CLCJXFNXXIQARN-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696596 779413098 /nfs/dbraw/zinc/41/30/98/779413098.db2.gz CHDJHJWMAYSVFS-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696596 779413100 /nfs/dbraw/zinc/41/31/00/779413100.db2.gz CHDJHJWMAYSVFS-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797044 779454269 /nfs/dbraw/zinc/45/42/69/779454269.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797044 779454276 /nfs/dbraw/zinc/45/42/76/779454276.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797044 779454280 /nfs/dbraw/zinc/45/42/80/779454280.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797044 779454285 /nfs/dbraw/zinc/45/42/85/779454285.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797044 779454289 /nfs/dbraw/zinc/45/42/89/779454289.db2.gz VWDMGGHCXWPNOC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041727 779651009 /nfs/dbraw/zinc/65/10/09/779651009.db2.gz GXQVVYVZIYVHHC-WBVHZDCISA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090508 779694661 /nfs/dbraw/zinc/69/46/61/779694661.db2.gz RVCQYCWMXXCXQR-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876225 780041652 /nfs/dbraw/zinc/04/16/52/780041652.db2.gz MSMYUOCIOKNNKB-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876225 780041659 /nfs/dbraw/zinc/04/16/59/780041659.db2.gz MSMYUOCIOKNNKB-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876225 780041665 /nfs/dbraw/zinc/04/16/65/780041665.db2.gz MSMYUOCIOKNNKB-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578777 780776153 /nfs/dbraw/zinc/77/61/53/780776153.db2.gz GUKZFDNXMVVRBY-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972855 780946716 /nfs/dbraw/zinc/94/67/16/780946716.db2.gz MTJNMHCTAXDGKW-MAUKXSAKSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908663 783265244 /nfs/dbraw/zinc/26/52/44/783265244.db2.gz URMKDRXJQMGDQX-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639424 783308191 /nfs/dbraw/zinc/30/81/91/783308191.db2.gz VYARCZIWPTXDAJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639424 783308201 /nfs/dbraw/zinc/30/82/01/783308201.db2.gz VYARCZIWPTXDAJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639424 783308213 /nfs/dbraw/zinc/30/82/13/783308213.db2.gz VYARCZIWPTXDAJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639424 783308223 /nfs/dbraw/zinc/30/82/23/783308223.db2.gz VYARCZIWPTXDAJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734454 783399908 /nfs/dbraw/zinc/39/99/08/783399908.db2.gz QPUNSXOCNLLWHK-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734454 783399915 /nfs/dbraw/zinc/39/99/15/783399915.db2.gz QPUNSXOCNLLWHK-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734454 783399921 /nfs/dbraw/zinc/39/99/21/783399921.db2.gz QPUNSXOCNLLWHK-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734454 783399928 /nfs/dbraw/zinc/39/99/28/783399928.db2.gz QPUNSXOCNLLWHK-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593307 783517696 /nfs/dbraw/zinc/51/76/96/783517696.db2.gz BXOISUIDYLASKB-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001085687426 783966819 /nfs/dbraw/zinc/96/68/19/783966819.db2.gz OSQJHSMGRBNRJY-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687426 783966826 /nfs/dbraw/zinc/96/68/26/783966826.db2.gz OSQJHSMGRBNRJY-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687426 783966835 /nfs/dbraw/zinc/96/68/35/783966835.db2.gz OSQJHSMGRBNRJY-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687426 783966842 /nfs/dbraw/zinc/96/68/42/783966842.db2.gz OSQJHSMGRBNRJY-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001085826712 784112232 /nfs/dbraw/zinc/11/22/32/784112232.db2.gz VYBGXDDOKJKNPT-ARFHVFGLSA-N 2 1 316.449 2.023 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876252 784166991 /nfs/dbraw/zinc/16/69/91/784166991.db2.gz VYEVDWCIFBYHTA-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001114922256 784491968 /nfs/dbraw/zinc/49/19/68/784491968.db2.gz VVZGGZONONJEKM-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001114922256 784491971 /nfs/dbraw/zinc/49/19/71/784491971.db2.gz VVZGGZONONJEKM-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001114922256 784491978 /nfs/dbraw/zinc/49/19/78/784491978.db2.gz VVZGGZONONJEKM-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867387 784626711 /nfs/dbraw/zinc/62/67/11/784626711.db2.gz WKLIXOOCWZDQFH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867387 784626718 /nfs/dbraw/zinc/62/67/18/784626718.db2.gz WKLIXOOCWZDQFH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867387 784626723 /nfs/dbraw/zinc/62/67/23/784626723.db2.gz WKLIXOOCWZDQFH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000968898674 784640610 /nfs/dbraw/zinc/64/06/10/784640610.db2.gz HEYQNDITHLVMCS-RBSFLKMASA-N 2 1 302.422 2.060 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000968898674 784640619 /nfs/dbraw/zinc/64/06/19/784640619.db2.gz HEYQNDITHLVMCS-RBSFLKMASA-N 2 1 302.422 2.060 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000968898674 784640624 /nfs/dbraw/zinc/64/06/24/784640624.db2.gz HEYQNDITHLVMCS-RBSFLKMASA-N 2 1 302.422 2.060 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936334 784659710 /nfs/dbraw/zinc/65/97/10/784659710.db2.gz DULSTFZMHJYOAD-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936502 784659733 /nfs/dbraw/zinc/65/97/33/784659733.db2.gz JSDNGWNHQNOUFP-QGZVFWFLSA-N 2 1 324.428 2.332 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237064 791083077 /nfs/dbraw/zinc/08/30/77/791083077.db2.gz OKNCCSBQZDTEFT-ROUUACIJSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145325 785395309 /nfs/dbraw/zinc/39/53/09/785395309.db2.gz NXCSCTOVNKMOMI-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725469 785510880 /nfs/dbraw/zinc/51/08/80/785510880.db2.gz AZSLFESTJWBEOF-ULQDDVLXSA-N 2 1 316.449 2.127 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803045 785545874 /nfs/dbraw/zinc/54/58/74/785545874.db2.gz UWRTWVDXWYFRIJ-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293464 785794518 /nfs/dbraw/zinc/79/45/18/785794518.db2.gz CQYLEKJWROSERZ-BDXSIMOUSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649924 785974394 /nfs/dbraw/zinc/97/43/94/785974394.db2.gz KDGGKPYPFPOIJP-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001156967480 786110347 /nfs/dbraw/zinc/11/03/47/786110347.db2.gz YRVOLBFXTLAMQM-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001112920803 786297069 /nfs/dbraw/zinc/29/70/69/786297069.db2.gz LBFLSZFPDINHFZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111594 787935681 /nfs/dbraw/zinc/93/56/81/787935681.db2.gz TYOXCJSZGGIQFB-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111594 787935689 /nfs/dbraw/zinc/93/56/89/787935689.db2.gz TYOXCJSZGGIQFB-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111594 787935698 /nfs/dbraw/zinc/93/56/98/787935698.db2.gz TYOXCJSZGGIQFB-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346159 788011376 /nfs/dbraw/zinc/01/13/76/788011376.db2.gz TZSZJGBRBZZSHS-WLYUNCDWSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430638 788101894 /nfs/dbraw/zinc/10/18/94/788101894.db2.gz MPRMUQOCSDENLZ-ZACQAIPSSA-N 2 1 317.477 2.303 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519031 788107349 /nfs/dbraw/zinc/10/73/49/788107349.db2.gz RNYOREUJFBIEJL-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790565 788194435 /nfs/dbraw/zinc/19/44/35/788194435.db2.gz IGSXPIVTPOWGHV-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086716649 788739740 /nfs/dbraw/zinc/73/97/40/788739740.db2.gz KUQOSAQHYXHNTQ-XHSDSOJGSA-N 2 1 316.449 2.211 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134772727 789073127 /nfs/dbraw/zinc/07/31/27/789073127.db2.gz HFHUNYSTUFFEEH-QWHCGFSZSA-N 2 1 303.878 2.342 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481802 789358785 /nfs/dbraw/zinc/35/87/85/789358785.db2.gz XSFQQQQJBOVRHH-DLBZAZTESA-N 2 1 317.477 2.220 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678385 789444039 /nfs/dbraw/zinc/44/40/39/789444039.db2.gz DLXXCSYWDSGYCE-CABCVRRESA-N 2 1 306.454 2.421 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600044 789804123 /nfs/dbraw/zinc/80/41/23/789804123.db2.gz FERLHGRTXHXIID-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682143 789862807 /nfs/dbraw/zinc/86/28/07/789862807.db2.gz HRWFKLRMLDANOB-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820673 789928998 /nfs/dbraw/zinc/92/89/98/789928998.db2.gz BQTGGVANJHNOMA-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820673 789929001 /nfs/dbraw/zinc/92/90/01/789929001.db2.gz BQTGGVANJHNOMA-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820673 789929005 /nfs/dbraw/zinc/92/90/05/789929005.db2.gz BQTGGVANJHNOMA-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302246 791974031 /nfs/dbraw/zinc/97/40/31/791974031.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302246 791974044 /nfs/dbraw/zinc/97/40/44/791974044.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302246 791974050 /nfs/dbraw/zinc/97/40/50/791974050.db2.gz VBYQCHAVVLJUIX-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603041 792081183 /nfs/dbraw/zinc/08/11/83/792081183.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603041 792081190 /nfs/dbraw/zinc/08/11/90/792081190.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603041 792081204 /nfs/dbraw/zinc/08/12/04/792081204.db2.gz RYMJSXZNQFBGFG-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676939 792109139 /nfs/dbraw/zinc/10/91/39/792109139.db2.gz QAUUBDFEZRLSAT-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676939 792109147 /nfs/dbraw/zinc/10/91/47/792109147.db2.gz QAUUBDFEZRLSAT-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676939 792109151 /nfs/dbraw/zinc/10/91/51/792109151.db2.gz QAUUBDFEZRLSAT-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467575 792120730 /nfs/dbraw/zinc/12/07/30/792120730.db2.gz OVYLXZXWQFJYJD-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782533 792135489 /nfs/dbraw/zinc/13/54/89/792135489.db2.gz PUQFDNHITWEQHV-GDBMZVCRSA-N 2 1 312.417 2.208 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101280177 793097507 /nfs/dbraw/zinc/09/75/07/793097507.db2.gz IQHZXBQGVNCOIW-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280177 793097517 /nfs/dbraw/zinc/09/75/17/793097517.db2.gz IQHZXBQGVNCOIW-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280177 793097527 /nfs/dbraw/zinc/09/75/27/793097527.db2.gz IQHZXBQGVNCOIW-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629300 793141490 /nfs/dbraw/zinc/14/14/90/793141490.db2.gz KMEKCBUFJHLKTH-CQSZACIVSA-N 2 1 322.453 2.191 20 30 DEEDMP C#CCCN1CCC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1=O ZINC001171625080 793155370 /nfs/dbraw/zinc/15/53/70/793155370.db2.gz AWCRQRHGTBQXFT-INIZCTEOSA-N 2 1 319.493 2.242 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001171646066 793157628 /nfs/dbraw/zinc/15/76/28/793157628.db2.gz IBGNMGAXUXRMQP-ZWKOTPCHSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101596129 793260450 /nfs/dbraw/zinc/26/04/50/793260450.db2.gz KLQODKJKDKJMQB-UHFFFAOYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCOCc1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001172119064 793340364 /nfs/dbraw/zinc/34/03/64/793340364.db2.gz SBHICEHQCNMSSC-FICVDOATSA-N 2 1 316.449 2.377 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300039 793406945 /nfs/dbraw/zinc/40/69/45/793406945.db2.gz RHWOIRTUZZNIHL-HNNXBMFYSA-N 2 1 301.434 2.190 20 30 DEEDMP CCCCCCC[C@@H](CC)[NH2+]CCC[NH+](CCO)CCO ZINC001172346163 793411069 /nfs/dbraw/zinc/41/10/69/793411069.db2.gz GTESIHNMPOUBPN-QGZVFWFLSA-N 2 1 302.503 2.392 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001094937114 793470741 /nfs/dbraw/zinc/47/07/41/793470741.db2.gz FMQPIUGUXCQNNR-UXLLHSPISA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051983 793488224 /nfs/dbraw/zinc/48/82/24/793488224.db2.gz XBVOTGMJAZGSJJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051983 793488228 /nfs/dbraw/zinc/48/82/28/793488228.db2.gz XBVOTGMJAZGSJJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051983 793488232 /nfs/dbraw/zinc/48/82/32/793488232.db2.gz XBVOTGMJAZGSJJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102123023 793509299 /nfs/dbraw/zinc/50/92/99/793509299.db2.gz ZLURUPFAAYBTIY-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601502 793668741 /nfs/dbraw/zinc/66/87/41/793668741.db2.gz GCTXPBMLHJRFJY-NXHRZFHOSA-N 2 1 315.461 2.159 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601502 793668747 /nfs/dbraw/zinc/66/87/47/793668747.db2.gz GCTXPBMLHJRFJY-NXHRZFHOSA-N 2 1 315.461 2.159 20 30 DEEDMP C[NH+]1CCC(C[NH+]2CCN(C3CCC(CC#N)CC3)CC2)CC1 ZINC001173339098 793683687 /nfs/dbraw/zinc/68/36/87/793683687.db2.gz CPJXJEQKTVOYRT-UHFFFAOYSA-N 2 1 318.509 2.418 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177415635 794665427 /nfs/dbraw/zinc/66/54/27/794665427.db2.gz GKWQRCZUNCHUIO-WMZOPIPTSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297701 794726300 /nfs/dbraw/zinc/72/63/00/794726300.db2.gz ICGQTFIFXMMQCN-VXNCWWDNSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768577 794913975 /nfs/dbraw/zinc/91/39/75/794913975.db2.gz CMSWEEUEKZQOHY-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179634063 795151463 /nfs/dbraw/zinc/15/14/63/795151463.db2.gz QAAOYUYDHIBRSG-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001118148848 795158159 /nfs/dbraw/zinc/15/81/59/795158159.db2.gz XYJWMJZJNOCYEM-UHFFFAOYSA-N 2 1 311.389 2.072 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423228 795457197 /nfs/dbraw/zinc/45/71/97/795457197.db2.gz SEYCJLPTORCFID-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430151 795458429 /nfs/dbraw/zinc/45/84/29/795458429.db2.gz IPACKNQCANATDL-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121773104 795685962 /nfs/dbraw/zinc/68/59/62/795685962.db2.gz OBSAGWVXGZIZLJ-DKVCYUOUSA-N 2 1 319.493 2.167 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122249833 795739128 /nfs/dbraw/zinc/73/91/28/795739128.db2.gz YQPVABZFGQYGTP-UHFFFAOYSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714294 796109393 /nfs/dbraw/zinc/10/93/93/796109393.db2.gz WWJHQWRCDWIMCB-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151229 796633650 /nfs/dbraw/zinc/63/36/50/796633650.db2.gz RSDDJWPKUFHIIS-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001188456567 796674292 /nfs/dbraw/zinc/67/42/92/796674292.db2.gz QUGNKZSTFGOVIB-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001141569220 796677079 /nfs/dbraw/zinc/67/70/79/796677079.db2.gz CMPQYOJMVILGCO-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646137 797047814 /nfs/dbraw/zinc/04/78/14/797047814.db2.gz XWRBNEPWLXAMIV-CVEARBPZSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001152337700 797173130 /nfs/dbraw/zinc/17/31/30/797173130.db2.gz KQEXLMMCIZQVFE-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360839 797190290 /nfs/dbraw/zinc/19/02/90/797190290.db2.gz TYQGRQMEYXSNLZ-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360839 797190292 /nfs/dbraw/zinc/19/02/92/797190292.db2.gz TYQGRQMEYXSNLZ-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360839 797190294 /nfs/dbraw/zinc/19/02/94/797190294.db2.gz TYQGRQMEYXSNLZ-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464749 797539504 /nfs/dbraw/zinc/53/95/04/797539504.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464749 797539510 /nfs/dbraw/zinc/53/95/10/797539510.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464749 797539516 /nfs/dbraw/zinc/53/95/16/797539516.db2.gz WJPGDSSSVZKCPY-QGZVFWFLSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498582 797575907 /nfs/dbraw/zinc/57/59/07/797575907.db2.gz FTAJPHPLVHAYIQ-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273910 797696497 /nfs/dbraw/zinc/69/64/97/797696497.db2.gz BSZQTQBPECGPTQ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249966 797717345 /nfs/dbraw/zinc/71/73/45/797717345.db2.gz WYWYUYJSXBOPMO-MRXNPFEDSA-N 2 1 317.477 2.417 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194421326 797724917 /nfs/dbraw/zinc/72/49/17/797724917.db2.gz ZVQPHWXJPLGRMI-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559555 797789920 /nfs/dbraw/zinc/78/99/20/797789920.db2.gz SWBMSUBBFLSEHF-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559555 797789923 /nfs/dbraw/zinc/78/99/23/797789923.db2.gz SWBMSUBBFLSEHF-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196010256 797993032 /nfs/dbraw/zinc/99/30/32/797993032.db2.gz LVSFGCPUTQZDRZ-INIZCTEOSA-N 2 1 313.461 2.167 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965340 798316105 /nfs/dbraw/zinc/31/61/05/798316105.db2.gz ZKYNNKOIRVBILG-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158396529 798400090 /nfs/dbraw/zinc/40/00/90/798400090.db2.gz AGSHGRMKCKGITN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158396529 798400092 /nfs/dbraw/zinc/40/00/92/798400092.db2.gz AGSHGRMKCKGITN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158396529 798400097 /nfs/dbraw/zinc/40/00/97/798400097.db2.gz AGSHGRMKCKGITN-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480374 798413340 /nfs/dbraw/zinc/41/33/40/798413340.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480374 798413346 /nfs/dbraw/zinc/41/33/46/798413346.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480374 798413349 /nfs/dbraw/zinc/41/33/49/798413349.db2.gz LDLVKHJLKVFDIT-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158507679 798419082 /nfs/dbraw/zinc/41/90/82/798419082.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158507679 798419086 /nfs/dbraw/zinc/41/90/86/798419086.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158507679 798419089 /nfs/dbraw/zinc/41/90/89/798419089.db2.gz MDFJTTZDJACTLZ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159926062 798626993 /nfs/dbraw/zinc/62/69/93/798626993.db2.gz ZGRLEFAOZNEZMW-HUUCEWRRSA-N 2 1 304.438 2.211 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161205080 798809217 /nfs/dbraw/zinc/80/92/17/798809217.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161205080 798809221 /nfs/dbraw/zinc/80/92/21/798809221.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161205080 798809227 /nfs/dbraw/zinc/80/92/27/798809227.db2.gz CDLGKNVSZHSSQJ-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667844 798953822 /nfs/dbraw/zinc/95/38/22/798953822.db2.gz MRQIQCPKHSTIIH-WCXIOVBPSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110682746 798964427 /nfs/dbraw/zinc/96/44/27/798964427.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110682746 798964433 /nfs/dbraw/zinc/96/44/33/798964433.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110682746 798964440 /nfs/dbraw/zinc/96/44/40/798964440.db2.gz BANNYYFKDSYNCH-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488451 799147875 /nfs/dbraw/zinc/14/78/75/799147875.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488451 799147879 /nfs/dbraw/zinc/14/78/79/799147879.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488451 799147883 /nfs/dbraw/zinc/14/78/83/799147883.db2.gz NQUOVJBQXRHDPI-CAOSSQGBSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485052 799736572 /nfs/dbraw/zinc/73/65/72/799736572.db2.gz KOYVCSPKNNBDCS-QGZVFWFLSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728405 799766754 /nfs/dbraw/zinc/76/67/54/799766754.db2.gz QWRSKSWPEXHHGN-IRXDYDNUSA-N 2 1 319.493 2.456 20 30 DEEDMP CC(C)(Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC001165734558 799766791 /nfs/dbraw/zinc/76/67/91/799766791.db2.gz LFCYSWOYADTUHJ-UHFFFAOYSA-N 2 1 322.416 2.105 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111021549 799834250 /nfs/dbraw/zinc/83/42/50/799834250.db2.gz YFNDRUGEMQPEQM-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021549 799834257 /nfs/dbraw/zinc/83/42/57/799834257.db2.gz YFNDRUGEMQPEQM-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021549 799834263 /nfs/dbraw/zinc/83/42/63/799834263.db2.gz YFNDRUGEMQPEQM-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111020649 799834367 /nfs/dbraw/zinc/83/43/67/799834367.db2.gz GNQSECKGZLLKBV-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020649 799834373 /nfs/dbraw/zinc/83/43/73/799834373.db2.gz GNQSECKGZLLKBV-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020649 799834378 /nfs/dbraw/zinc/83/43/78/799834378.db2.gz GNQSECKGZLLKBV-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284187 800336624 /nfs/dbraw/zinc/33/66/24/800336624.db2.gz KAWWESATAZHOFN-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462443 800359548 /nfs/dbraw/zinc/35/95/48/800359548.db2.gz YSHSKFZDYBOBNJ-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547393 800775341 /nfs/dbraw/zinc/77/53/41/800775341.db2.gz VDGOQQXNZAEIIB-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547393 800775346 /nfs/dbraw/zinc/77/53/46/800775346.db2.gz VDGOQQXNZAEIIB-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208361542 800967308 /nfs/dbraw/zinc/96/73/08/800967308.db2.gz FUADRNQGGLNJHN-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208613558 801033458 /nfs/dbraw/zinc/03/34/58/801033458.db2.gz NUDJSIXQJONLDZ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208613558 801033464 /nfs/dbraw/zinc/03/34/64/801033464.db2.gz NUDJSIXQJONLDZ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208613558 801033470 /nfs/dbraw/zinc/03/34/70/801033470.db2.gz NUDJSIXQJONLDZ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CCO2 ZINC001208616693 801036097 /nfs/dbraw/zinc/03/60/97/801036097.db2.gz ZYSFGTCSBARYGD-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@H+](C)C1)CCO2 ZINC001208616693 801036103 /nfs/dbraw/zinc/03/61/03/801036103.db2.gz ZYSFGTCSBARYGD-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCC[NH+](C)C1)CCO2 ZINC001208616693 801036107 /nfs/dbraw/zinc/03/61/07/801036107.db2.gz ZYSFGTCSBARYGD-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CCO2 ZINC001208616693 801036113 /nfs/dbraw/zinc/03/61/13/801036113.db2.gz ZYSFGTCSBARYGD-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660284 801249287 /nfs/dbraw/zinc/24/92/87/801249287.db2.gz PFPOCBHMISFZCE-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730120 801264842 /nfs/dbraw/zinc/26/48/42/801264842.db2.gz FXKRKCHRDYLDQR-GOSISDBHSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730120 801264850 /nfs/dbraw/zinc/26/48/50/801264850.db2.gz FXKRKCHRDYLDQR-GOSISDBHSA-N 2 1 314.433 2.027 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229503557 801285658 /nfs/dbraw/zinc/28/56/58/801285658.db2.gz KUCFLIMHRLMSLX-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133421 801338685 /nfs/dbraw/zinc/33/86/85/801338685.db2.gz QBAJNHYCBSDQLO-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215728665 801898582 /nfs/dbraw/zinc/89/85/82/801898582.db2.gz PXIFWAZBVNTNTR-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993773 802041031 /nfs/dbraw/zinc/04/10/31/802041031.db2.gz SVAVPVZTCHPFEP-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993773 802041037 /nfs/dbraw/zinc/04/10/37/802041037.db2.gz SVAVPVZTCHPFEP-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387635 802786251 /nfs/dbraw/zinc/78/62/51/802786251.db2.gz KBQFKFNAABCRMN-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223388066 802786401 /nfs/dbraw/zinc/78/64/01/802786401.db2.gz VTRUOPTVRQOXJO-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223388066 802786405 /nfs/dbraw/zinc/78/64/05/802786405.db2.gz VTRUOPTVRQOXJO-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223832226 802818177 /nfs/dbraw/zinc/81/81/77/802818177.db2.gz OIXWDXXGAWQJRM-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP C[NH+](C)CC[C@@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccccc1 ZINC001224133223 802839567 /nfs/dbraw/zinc/83/95/67/802839567.db2.gz KDZQJVSWHQFABA-RRQVMCLOSA-N 2 1 316.445 2.308 20 30 DEEDMP C[NH+](C)CC[C@@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224133223 802839574 /nfs/dbraw/zinc/83/95/74/802839574.db2.gz KDZQJVSWHQFABA-RRQVMCLOSA-N 2 1 316.445 2.308 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001331516004 1149498177 /nfs/dbraw/zinc/49/81/77/1149498177.db2.gz JQAGYJGIFXXPGT-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328764263 1148832515 /nfs/dbraw/zinc/83/25/15/1148832515.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001328764263 1148832517 /nfs/dbraw/zinc/83/25/17/1148832517.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001328764263 1148832519 /nfs/dbraw/zinc/83/25/19/1148832519.db2.gz JUFOEFWGKPPJTM-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001499913291 1058371446 /nfs/dbraw/zinc/37/14/46/1058371446.db2.gz XDWZSLXGPLDASR-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500197022 1058580601 /nfs/dbraw/zinc/58/06/01/1058580601.db2.gz FWBFNSPMCXCXCW-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500197022 1058580619 /nfs/dbraw/zinc/58/06/19/1058580619.db2.gz FWBFNSPMCXCXCW-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500197022 1058580637 /nfs/dbraw/zinc/58/06/37/1058580637.db2.gz FWBFNSPMCXCXCW-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001479725609 1061647885 /nfs/dbraw/zinc/64/78/85/1061647885.db2.gz PVXSHPLUJYENIQ-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001479729072 1061648047 /nfs/dbraw/zinc/64/80/47/1061648047.db2.gz HIJQQBWIQVBCEV-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675262 /nfs/dbraw/zinc/67/52/62/1061675262.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675272 /nfs/dbraw/zinc/67/52/72/1061675272.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC(C)(C)C1 ZINC001479747600 1061675282 /nfs/dbraw/zinc/67/52/82/1061675282.db2.gz ZTOXBXLUOUIIPI-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088545 1062309621 /nfs/dbraw/zinc/30/96/21/1062309621.db2.gz JDNDXVNRAGAPAC-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480088545 1062309642 /nfs/dbraw/zinc/30/96/42/1062309642.db2.gz JDNDXVNRAGAPAC-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480088545 1062309651 /nfs/dbraw/zinc/30/96/51/1062309651.db2.gz JDNDXVNRAGAPAC-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001369193966 1148866832 /nfs/dbraw/zinc/86/68/32/1148866832.db2.gz PLPDVQXKHOGBPU-CQSZACIVSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001480824714 1063404479 /nfs/dbraw/zinc/40/44/79/1063404479.db2.gz WUKDERJXJRNOEI-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001480824714 1063404483 /nfs/dbraw/zinc/40/44/83/1063404483.db2.gz WUKDERJXJRNOEI-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001493213108 1063644087 /nfs/dbraw/zinc/64/40/87/1063644087.db2.gz HYVFFZKVFVWDCU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493213108 1063644091 /nfs/dbraw/zinc/64/40/91/1063644091.db2.gz HYVFFZKVFVWDCU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493213108 1063644098 /nfs/dbraw/zinc/64/40/98/1063644098.db2.gz HYVFFZKVFVWDCU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001567625331 1064287818 /nfs/dbraw/zinc/28/78/18/1064287818.db2.gz SJTZRPQKHLLXGZ-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001567648080 1064314674 /nfs/dbraw/zinc/31/46/74/1064314674.db2.gz YUGOWYHLCMYTBQ-GOSISDBHSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C(C)C ZINC001567648080 1064314683 /nfs/dbraw/zinc/31/46/83/1064314683.db2.gz YUGOWYHLCMYTBQ-GOSISDBHSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C(C)C ZINC001567648080 1064314697 /nfs/dbraw/zinc/31/46/97/1064314697.db2.gz YUGOWYHLCMYTBQ-GOSISDBHSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567689795 1064345970 /nfs/dbraw/zinc/34/59/70/1064345970.db2.gz XPIXNBWGBVSCFN-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567737672 1064391290 /nfs/dbraw/zinc/39/12/90/1064391290.db2.gz FQOVOFNJTALZMZ-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001567818957 1064440618 /nfs/dbraw/zinc/44/06/18/1064440618.db2.gz VRZJBWMMIVJOFI-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001567818957 1064440623 /nfs/dbraw/zinc/44/06/23/1064440623.db2.gz VRZJBWMMIVJOFI-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001494840015 1064501204 /nfs/dbraw/zinc/50/12/04/1064501204.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001494840015 1064501220 /nfs/dbraw/zinc/50/12/20/1064501220.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001494840015 1064501233 /nfs/dbraw/zinc/50/12/33/1064501233.db2.gz QHBCSZPHPAIABH-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902245 1064560233 /nfs/dbraw/zinc/56/02/33/1064560233.db2.gz URQGLJYFOMQGOH-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902245 1064560246 /nfs/dbraw/zinc/56/02/46/1064560246.db2.gz URQGLJYFOMQGOH-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001568043884 1064615704 /nfs/dbraw/zinc/61/57/04/1064615704.db2.gz QEVFAFQCGMPICH-FUHWJXTLSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001568106241 1064649690 /nfs/dbraw/zinc/64/96/90/1064649690.db2.gz PEEOSHNIDFCBLO-XSLAGTTESA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001568121499 1064658129 /nfs/dbraw/zinc/65/81/29/1064658129.db2.gz CDKYXNIIWDMJKF-SFHVURJKSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001568131953 1064663419 /nfs/dbraw/zinc/66/34/19/1064663419.db2.gz CPEQHMNEMHASIW-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001495519886 1064961046 /nfs/dbraw/zinc/96/10/46/1064961046.db2.gz JROCHFXQICVDTF-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001495743747 1065088630 /nfs/dbraw/zinc/08/86/30/1065088630.db2.gz SHPSRLPYCGEKHX-HOCLYGCPSA-N 2 1 318.465 2.062 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001569723319 1065691568 /nfs/dbraw/zinc/69/15/68/1065691568.db2.gz UOYPDNKCDUBVHY-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001496867965 1065765097 /nfs/dbraw/zinc/76/50/97/1065765097.db2.gz MNDQFRWLGIWOBL-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001496867965 1065765114 /nfs/dbraw/zinc/76/51/14/1065765114.db2.gz MNDQFRWLGIWOBL-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001496867965 1065765127 /nfs/dbraw/zinc/76/51/27/1065765127.db2.gz MNDQFRWLGIWOBL-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001570008107 1065877560 /nfs/dbraw/zinc/87/75/60/1065877560.db2.gz FENHCEAZUWEHLS-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001570121366 1065933553 /nfs/dbraw/zinc/93/35/53/1065933553.db2.gz ZCEOQKDIIQXKTD-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570502870 1066098393 /nfs/dbraw/zinc/09/83/93/1066098393.db2.gz OCSZLKRDBOULFI-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C[C@H]1C[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599996 1066643039 /nfs/dbraw/zinc/64/30/39/1066643039.db2.gz WZOBMGAUPLKIJK-DLBZAZTESA-N 2 1 312.461 2.458 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001498897383 1066946027 /nfs/dbraw/zinc/94/60/27/1066946027.db2.gz CXNDJTYSVIYFOM-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120905 1067107184 /nfs/dbraw/zinc/10/71/84/1067107184.db2.gz XRTXHPBXGJVWPA-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001499737283 1067313700 /nfs/dbraw/zinc/31/37/00/1067313700.db2.gz JIDABTNIKFJYMM-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483486961 1078564407 /nfs/dbraw/zinc/56/44/07/1078564407.db2.gz QFPFWALDOMPKRQ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1sccc1C[NH+](C)C ZINC001640016546 1078637750 /nfs/dbraw/zinc/63/77/50/1078637750.db2.gz ZPVWIPKLKGYSQD-UHFFFAOYSA-N 2 1 309.479 2.390 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001570805958 1068122071 /nfs/dbraw/zinc/12/20/71/1068122071.db2.gz PWZXHDVEQMPICD-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001571326600 1068222354 /nfs/dbraw/zinc/22/23/54/1068222354.db2.gz XURSXVZHYHHNJH-SJLPKXTDSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001571390574 1068270863 /nfs/dbraw/zinc/27/08/63/1068270863.db2.gz JIUCKHSHGGODHR-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001267330847 1078770640 /nfs/dbraw/zinc/77/06/40/1078770640.db2.gz OZRYCAHNBOQTGW-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698842 1078819395 /nfs/dbraw/zinc/81/93/95/1078819395.db2.gz XHOBGCOEERKJPA-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001574856788 1069279646 /nfs/dbraw/zinc/27/96/46/1069279646.db2.gz GUOJTULRSVBWRI-CYBMUJFWSA-N 2 1 308.813 2.480 20 30 DEEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272672671 1079108683 /nfs/dbraw/zinc/10/86/83/1079108683.db2.gz JUHMRYJVRZCAGM-IBGZPJMESA-N 2 1 322.412 2.153 20 30 DEEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272672671 1079108686 /nfs/dbraw/zinc/10/86/86/1079108686.db2.gz JUHMRYJVRZCAGM-IBGZPJMESA-N 2 1 322.412 2.153 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267618868 1079277202 /nfs/dbraw/zinc/27/72/02/1079277202.db2.gz UGSMXAODOQHZDC-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670022 1079358239 /nfs/dbraw/zinc/35/82/39/1079358239.db2.gz KBBBLMRIORUXER-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068295 1075131927 /nfs/dbraw/zinc/13/19/27/1075131927.db2.gz AMQOXMFMNUMDPL-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068295 1075131934 /nfs/dbraw/zinc/13/19/34/1075131934.db2.gz AMQOXMFMNUMDPL-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001565856858 1075198619 /nfs/dbraw/zinc/19/86/19/1075198619.db2.gz UWODPXBMBBJVBQ-BPQIPLTHSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001566587887 1075290227 /nfs/dbraw/zinc/29/02/27/1075290227.db2.gz WRNZKIUVGPFYSS-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566587887 1075290229 /nfs/dbraw/zinc/29/02/29/1075290229.db2.gz WRNZKIUVGPFYSS-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001566587887 1075290232 /nfs/dbraw/zinc/29/02/32/1075290232.db2.gz WRNZKIUVGPFYSS-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001566587887 1075290234 /nfs/dbraw/zinc/29/02/34/1075290234.db2.gz WRNZKIUVGPFYSS-UKRRQHHQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001566609442 1075296586 /nfs/dbraw/zinc/29/65/86/1075296586.db2.gz VLVHDDYESOFVKQ-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001566744951 1075332834 /nfs/dbraw/zinc/33/28/34/1075332834.db2.gz BXTBYEGFWXLKJW-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001566744951 1075332835 /nfs/dbraw/zinc/33/28/35/1075332835.db2.gz BXTBYEGFWXLKJW-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001566744951 1075332837 /nfs/dbraw/zinc/33/28/37/1075332837.db2.gz BXTBYEGFWXLKJW-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001566748502 1075334098 /nfs/dbraw/zinc/33/40/98/1075334098.db2.gz FIYWTBNFKBIXON-NXOAAHMSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001566748502 1075334106 /nfs/dbraw/zinc/33/41/06/1075334106.db2.gz FIYWTBNFKBIXON-NXOAAHMSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001566748502 1075334111 /nfs/dbraw/zinc/33/41/11/1075334111.db2.gz FIYWTBNFKBIXON-NXOAAHMSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566898634 1075378217 /nfs/dbraw/zinc/37/82/17/1075378217.db2.gz FNQXTCDAMMFOIF-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001567126646 1075438151 /nfs/dbraw/zinc/43/81/51/1075438151.db2.gz AZUAUAPTLVMDOR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267807164 1079508446 /nfs/dbraw/zinc/50/84/46/1079508446.db2.gz SQJZJYYKWKHUAD-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339101 1079549260 /nfs/dbraw/zinc/54/92/60/1079549260.db2.gz STMRKCXKDWWDGG-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411104 1079596580 /nfs/dbraw/zinc/59/65/80/1079596580.db2.gz YZMBJUXCQIUDAW-YESZJQIVSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484618276 1079688985 /nfs/dbraw/zinc/68/89/85/1079688985.db2.gz NBJPYYYIEDBDFT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001484653089 1079710145 /nfs/dbraw/zinc/71/01/45/1079710145.db2.gz MBHAFQFJBGULDE-KRWDZBQOSA-N 2 1 311.445 2.013 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001481350705 1079743939 /nfs/dbraw/zinc/74/39/39/1079743939.db2.gz POLHPHAJGNVRQB-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001481350705 1079743946 /nfs/dbraw/zinc/74/39/46/1079743946.db2.gz POLHPHAJGNVRQB-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001481350705 1079743954 /nfs/dbraw/zinc/74/39/54/1079743954.db2.gz POLHPHAJGNVRQB-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2cnc[nH]2)C(C)(C)C1 ZINC001484939865 1079871043 /nfs/dbraw/zinc/87/10/43/1079871043.db2.gz FQWKDQVQJHTKKV-HNNXBMFYSA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481527802 1080002567 /nfs/dbraw/zinc/00/25/67/1080002567.db2.gz KPELOWAEKKDABF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481527802 1080002577 /nfs/dbraw/zinc/00/25/77/1080002577.db2.gz KPELOWAEKKDABF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481527802 1080002588 /nfs/dbraw/zinc/00/25/88/1080002588.db2.gz KPELOWAEKKDABF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481527802 1080002598 /nfs/dbraw/zinc/00/25/98/1080002598.db2.gz KPELOWAEKKDABF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485162477 1080033326 /nfs/dbraw/zinc/03/33/26/1080033326.db2.gz IAJWWZPXTWVJKI-LSDHHAIUSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001656092217 1080038898 /nfs/dbraw/zinc/03/88/98/1080038898.db2.gz GMUFATXVTXILKF-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001656092217 1080038909 /nfs/dbraw/zinc/03/89/09/1080038909.db2.gz GMUFATXVTXILKF-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001656092217 1080038919 /nfs/dbraw/zinc/03/89/19/1080038919.db2.gz GMUFATXVTXILKF-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268154796 1080128654 /nfs/dbraw/zinc/12/86/54/1080128654.db2.gz DMZFMKNHGRRRRY-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001656880468 1080132863 /nfs/dbraw/zinc/13/28/63/1080132863.db2.gz FJUDGOWANPSNSH-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001481709264 1080336789 /nfs/dbraw/zinc/33/67/89/1080336789.db2.gz IPWTYCMBPFRDCC-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001481709264 1080336798 /nfs/dbraw/zinc/33/67/98/1080336798.db2.gz IPWTYCMBPFRDCC-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001485740140 1080400980 /nfs/dbraw/zinc/40/09/80/1080400980.db2.gz HYQVTDYIMRZOLD-DLBZAZTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001485765787 1080422115 /nfs/dbraw/zinc/42/21/15/1080422115.db2.gz XBVHHXYMFFKZGD-UHFFFAOYSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001485765787 1080422118 /nfs/dbraw/zinc/42/21/18/1080422118.db2.gz XBVHHXYMFFKZGD-UHFFFAOYSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001661127453 1080445398 /nfs/dbraw/zinc/44/53/98/1080445398.db2.gz NSFBTZLJMWYFID-WMZOPIPTSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661221007 1080459092 /nfs/dbraw/zinc/45/90/92/1080459092.db2.gz MHEHNXVMZWHTGV-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481773025 1080490229 /nfs/dbraw/zinc/49/02/29/1080490229.db2.gz NIARYGYUCFPDKM-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783534 1080503135 /nfs/dbraw/zinc/50/31/35/1080503135.db2.gz WYYAOXHALAJCTG-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783534 1080503140 /nfs/dbraw/zinc/50/31/40/1080503140.db2.gz WYYAOXHALAJCTG-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001661845683 1080531820 /nfs/dbraw/zinc/53/18/20/1080531820.db2.gz AOMBXFXJWVASIX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001661845683 1080531825 /nfs/dbraw/zinc/53/18/25/1080531825.db2.gz AOMBXFXJWVASIX-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001663671950 1080800182 /nfs/dbraw/zinc/80/01/82/1080800182.db2.gz HBKCWKKUDWGUIK-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268691318 1080936791 /nfs/dbraw/zinc/93/67/91/1080936791.db2.gz UEOFSIAGZWWYGR-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001664825154 1080966982 /nfs/dbraw/zinc/96/69/82/1080966982.db2.gz VXAKNVGDCLHAAD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001664825154 1080966988 /nfs/dbraw/zinc/96/69/88/1080966988.db2.gz VXAKNVGDCLHAAD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001664825154 1080966995 /nfs/dbraw/zinc/96/69/95/1080966995.db2.gz VXAKNVGDCLHAAD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001664894392 1080977549 /nfs/dbraw/zinc/97/75/49/1080977549.db2.gz UIRBRVFFEMTLCO-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001664894392 1080977551 /nfs/dbraw/zinc/97/75/51/1080977551.db2.gz UIRBRVFFEMTLCO-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001664894392 1080977554 /nfs/dbraw/zinc/97/75/54/1080977554.db2.gz UIRBRVFFEMTLCO-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001666219099 1081134140 /nfs/dbraw/zinc/13/41/40/1081134140.db2.gz MEPZCDNPVKSTRV-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666620920 1081167999 /nfs/dbraw/zinc/16/79/99/1081167999.db2.gz UZGCHOZGOYBGIZ-RHSMWYFYSA-N 2 1 313.461 2.117 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667028067 1081203274 /nfs/dbraw/zinc/20/32/74/1081203274.db2.gz DLQJMYBQGMCUHC-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667278573 1081232306 /nfs/dbraw/zinc/23/23/06/1081232306.db2.gz AQICYEPHSCRWGH-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269738492 1081352204 /nfs/dbraw/zinc/35/22/04/1081352204.db2.gz RPBVGRFMICZFDN-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001669001056 1081417722 /nfs/dbraw/zinc/41/77/22/1081417722.db2.gz KCNZOPAZKAPBKP-QLRDQERUSA-N 2 1 307.482 2.333 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195475 1081488543 /nfs/dbraw/zinc/48/85/43/1081488543.db2.gz INUDDYCIFDYGGQ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951195475 1081488546 /nfs/dbraw/zinc/48/85/46/1081488546.db2.gz INUDDYCIFDYGGQ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001270293099 1081495572 /nfs/dbraw/zinc/49/55/72/1081495572.db2.gz GFRQJQOIUVEBDU-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001671901621 1081547822 /nfs/dbraw/zinc/54/78/22/1081547822.db2.gz PVRDFEZZFWQIPI-SFHVURJKSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001671916197 1081549884 /nfs/dbraw/zinc/54/98/84/1081549884.db2.gz GQECUYGAMGCMPM-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001671916197 1081549888 /nfs/dbraw/zinc/54/98/88/1081549888.db2.gz GQECUYGAMGCMPM-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001671916197 1081549893 /nfs/dbraw/zinc/54/98/93/1081549893.db2.gz GQECUYGAMGCMPM-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001671916195 1081550534 /nfs/dbraw/zinc/55/05/34/1081550534.db2.gz GQECUYGAMGCMPM-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001671916195 1081550541 /nfs/dbraw/zinc/55/05/41/1081550541.db2.gz GQECUYGAMGCMPM-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001671916195 1081550545 /nfs/dbraw/zinc/55/05/45/1081550545.db2.gz GQECUYGAMGCMPM-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001672937662 1081724395 /nfs/dbraw/zinc/72/43/95/1081724395.db2.gz MSLOHPRVEIPNMS-CRAIPNDOSA-N 2 1 313.445 2.071 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001673017027 1081731876 /nfs/dbraw/zinc/73/18/76/1081731876.db2.gz VNHGHVFMRBNGRK-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674504603 1081883213 /nfs/dbraw/zinc/88/32/13/1081883213.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504603 1081883218 /nfs/dbraw/zinc/88/32/18/1081883218.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504603 1081883222 /nfs/dbraw/zinc/88/32/22/1081883222.db2.gz FYZAZWMKCFIYRZ-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001266377029 1082007866 /nfs/dbraw/zinc/00/78/66/1082007866.db2.gz NHINCXISLBGFKE-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266459826 1082050866 /nfs/dbraw/zinc/05/08/66/1082050866.db2.gz UAGZHNPPRQYPFC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266459826 1082050870 /nfs/dbraw/zinc/05/08/70/1082050870.db2.gz UAGZHNPPRQYPFC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266459826 1082050873 /nfs/dbraw/zinc/05/08/73/1082050873.db2.gz UAGZHNPPRQYPFC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C\CC ZINC001266468382 1082056991 /nfs/dbraw/zinc/05/69/91/1082056991.db2.gz PDTSCSMJSZLBBO-SLXDBMQSSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001266494800 1082074133 /nfs/dbraw/zinc/07/41/33/1082074133.db2.gz AEAUVAGEQWSQOS-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266494800 1082074139 /nfs/dbraw/zinc/07/41/39/1082074139.db2.gz AEAUVAGEQWSQOS-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266494800 1082074144 /nfs/dbraw/zinc/07/41/44/1082074144.db2.gz AEAUVAGEQWSQOS-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272046679 1082332189 /nfs/dbraw/zinc/33/21/89/1082332189.db2.gz YROMLMOGFQTGOA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046679 1082332194 /nfs/dbraw/zinc/33/21/94/1082332194.db2.gz YROMLMOGFQTGOA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046679 1082332200 /nfs/dbraw/zinc/33/22/00/1082332200.db2.gz YROMLMOGFQTGOA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266889005 1082431911 /nfs/dbraw/zinc/43/19/11/1082431911.db2.gz AOCPVEYMPIOXIT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001266909289 1082447265 /nfs/dbraw/zinc/44/72/65/1082447265.db2.gz LQTMHLJBFCWEBF-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841768 1083642406 /nfs/dbraw/zinc/64/24/06/1083642406.db2.gz YFTDZVKESXMMRU-ULQDDVLXSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841768 1083642409 /nfs/dbraw/zinc/64/24/09/1083642409.db2.gz YFTDZVKESXMMRU-ULQDDVLXSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001276841768 1083642414 /nfs/dbraw/zinc/64/24/14/1083642414.db2.gz YFTDZVKESXMMRU-ULQDDVLXSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001277002208 1083728376 /nfs/dbraw/zinc/72/83/76/1083728376.db2.gz XFDVUKQFQPHUKB-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001277002209 1083728860 /nfs/dbraw/zinc/72/88/60/1083728860.db2.gz XFDVUKQFQPHUKB-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001490890095 1083812877 /nfs/dbraw/zinc/81/28/77/1083812877.db2.gz SDSXGLVTMHJNQC-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001491561424 1084155945 /nfs/dbraw/zinc/15/59/45/1084155945.db2.gz VUUUIGQAYRDKQP-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001670976681 1084178649 /nfs/dbraw/zinc/17/86/49/1084178649.db2.gz DRQUJBWAFAQECU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182320 /nfs/dbraw/zinc/18/23/20/1084182320.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182322 /nfs/dbraw/zinc/18/23/22/1084182322.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001670980154 1084182327 /nfs/dbraw/zinc/18/23/27/1084182327.db2.gz JMPCVRBMEIYZQJ-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP COCCOC[N@@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277942739 1084416647 /nfs/dbraw/zinc/41/66/47/1084416647.db2.gz AVEAOROOPMAZAE-UHFFFAOYSA-N 2 1 309.454 2.089 20 30 DEEDMP COCCOC[N@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277942739 1084416651 /nfs/dbraw/zinc/41/66/51/1084416651.db2.gz AVEAOROOPMAZAE-UHFFFAOYSA-N 2 1 309.454 2.089 20 30 DEEDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277949611 1084448340 /nfs/dbraw/zinc/44/83/40/1084448340.db2.gz YQOXITDMOYORDW-UHFFFAOYSA-N 2 1 309.454 2.089 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726795 1084831943 /nfs/dbraw/zinc/83/19/43/1084831943.db2.gz XZNRLONQDIGKKJ-JKSUJKDBSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001486376483 1085248056 /nfs/dbraw/zinc/24/80/56/1085248056.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001486376483 1085248066 /nfs/dbraw/zinc/24/80/66/1085248066.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001486376483 1085248071 /nfs/dbraw/zinc/24/80/71/1085248071.db2.gz FSMNFOFGJWVEBK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001486444233 1085315644 /nfs/dbraw/zinc/31/56/44/1085315644.db2.gz TWIXKDLLROTBQC-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286519 1085671757 /nfs/dbraw/zinc/67/17/57/1085671757.db2.gz RTJBIXRNIYIYAJ-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962268019 1086044657 /nfs/dbraw/zinc/04/46/57/1086044657.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962268019 1086044662 /nfs/dbraw/zinc/04/46/62/1086044662.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962268019 1086044672 /nfs/dbraw/zinc/04/46/72/1086044672.db2.gz CKGNTJZNTOTZFE-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCC1 ZINC001273129976 1086295958 /nfs/dbraw/zinc/29/59/58/1086295958.db2.gz WWXAIUBYAJMODY-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079697962 1088329990 /nfs/dbraw/zinc/32/99/90/1088329990.db2.gz CPFXMNZJFHRZMD-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114795238 1088530181 /nfs/dbraw/zinc/53/01/81/1088530181.db2.gz YRUGHSFPNIGAGB-VSZNYVQBSA-N 2 1 321.509 2.365 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700112 1089148668 /nfs/dbraw/zinc/14/86/68/1089148668.db2.gz MNIWKGTZMQZUQN-NVXWUHKLSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001080756309 1089172413 /nfs/dbraw/zinc/17/24/13/1089172413.db2.gz PKIYLUBMKHHTJN-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080756309 1089172422 /nfs/dbraw/zinc/17/24/22/1089172422.db2.gz PKIYLUBMKHHTJN-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080756309 1089172430 /nfs/dbraw/zinc/17/24/30/1089172430.db2.gz PKIYLUBMKHHTJN-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080756309 1089172441 /nfs/dbraw/zinc/17/24/41/1089172441.db2.gz PKIYLUBMKHHTJN-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082942019 1090109942 /nfs/dbraw/zinc/10/99/42/1090109942.db2.gz ZEPGNNBMZUHIIG-YUELXQCFSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849883 1090474998 /nfs/dbraw/zinc/47/49/98/1090474998.db2.gz YHDVLMLLQJIVPX-QZTJIDSGSA-N 2 1 313.445 2.081 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001411285641 1091548870 /nfs/dbraw/zinc/54/88/70/1091548870.db2.gz WBJSKZIBXBBEJD-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275566091 1091868566 /nfs/dbraw/zinc/86/85/66/1091868566.db2.gz LQMXYHHCWHNJBU-CYBMUJFWSA-N 2 1 309.479 2.436 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475815 1091869246 /nfs/dbraw/zinc/86/92/46/1091869246.db2.gz UAZPDXXMNADLQO-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674258 1091877353 /nfs/dbraw/zinc/87/73/53/1091877353.db2.gz SMPFBJDXFYJCFG-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673700 1091877869 /nfs/dbraw/zinc/87/78/69/1091877869.db2.gz GMWOOEDIUXNVJB-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599708 1091901471 /nfs/dbraw/zinc/90/14/71/1091901471.db2.gz JUDMYFGESWFKAX-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948756212 1091916222 /nfs/dbraw/zinc/91/62/22/1091916222.db2.gz ZZOUXDZGBHGOKZ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273577775 1091933096 /nfs/dbraw/zinc/93/30/96/1091933096.db2.gz DTVDQURBNZGCAO-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001273848054 1092311477 /nfs/dbraw/zinc/31/14/77/1092311477.db2.gz GBSRIMSXKVOZST-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488689266 1092688131 /nfs/dbraw/zinc/68/81/31/1092688131.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488689266 1092688137 /nfs/dbraw/zinc/68/81/37/1092688137.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001488689266 1092688147 /nfs/dbraw/zinc/68/81/47/1092688147.db2.gz KVZZWQBIVMJJDT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001488974779 1092858310 /nfs/dbraw/zinc/85/83/10/1092858310.db2.gz KEABZVHEXFNVHM-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490348734 1093295186 /nfs/dbraw/zinc/29/51/86/1093295186.db2.gz HCIOFQPATAXARJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001490348734 1093295189 /nfs/dbraw/zinc/29/51/89/1093295189.db2.gz HCIOFQPATAXARJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001490348734 1093295191 /nfs/dbraw/zinc/29/51/91/1093295191.db2.gz HCIOFQPATAXARJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCCC[C@H](O)C[NH2+]CCN1CCC[N@H+](C)CC1 ZINC001253250529 1093701966 /nfs/dbraw/zinc/70/19/66/1093701966.db2.gz BHTQTKVJASSQFC-SFHVURJKSA-N 2 1 311.514 2.101 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1C#N ZINC001236321227 1138352293 /nfs/dbraw/zinc/35/22/93/1138352293.db2.gz GTRGXNCVKSOBBW-OKILXGFUSA-N 2 1 316.424 2.195 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001318490832 1140347882 /nfs/dbraw/zinc/34/78/82/1140347882.db2.gz DKKFYMJQDBGYHO-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001319592128 1140621393 /nfs/dbraw/zinc/62/13/93/1140621393.db2.gz HGZTWIZBNBYVSO-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319617419 1140625368 /nfs/dbraw/zinc/62/53/68/1140625368.db2.gz BLSSTUGLASPNIF-AEFFLSMTSA-N 2 1 319.493 2.147 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047026 1140853100 /nfs/dbraw/zinc/85/31/00/1140853100.db2.gz BYIAZBDQJUEEFJ-MSOLQXFVSA-N 2 1 311.514 2.205 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278461219 1141031052 /nfs/dbraw/zinc/03/10/52/1141031052.db2.gz VJTPDGCGUXHCIR-LZLYRXPVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772276 1141055035 /nfs/dbraw/zinc/05/50/35/1141055035.db2.gz ZYIANWFSNXNCFU-BRSBDYLESA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246772276 1141055046 /nfs/dbraw/zinc/05/50/46/1141055046.db2.gz ZYIANWFSNXNCFU-BRSBDYLESA-N 2 1 308.466 2.201 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278466520 1141064377 /nfs/dbraw/zinc/06/43/77/1141064377.db2.gz JBTFBSCJFKTAPZ-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278466520 1141064386 /nfs/dbraw/zinc/06/43/86/1141064386.db2.gz JBTFBSCJFKTAPZ-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466521 1141065562 /nfs/dbraw/zinc/06/55/62/1141065562.db2.gz JBTFBSCJFKTAPZ-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466521 1141065572 /nfs/dbraw/zinc/06/55/72/1141065572.db2.gz JBTFBSCJFKTAPZ-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880707 /nfs/dbraw/zinc/88/07/07/1141880707.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880708 /nfs/dbraw/zinc/88/07/08/1141880708.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CCCCCC1 ZINC001323722247 1141880710 /nfs/dbraw/zinc/88/07/10/1141880710.db2.gz NQFOAPKYKVOYRI-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001324097487 1142006802 /nfs/dbraw/zinc/00/68/02/1142006802.db2.gz JZTIMNXASRRETC-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC001336782036 1142571018 /nfs/dbraw/zinc/57/10/18/1142571018.db2.gz WVQSYBFYGIEDTM-LJQANCHMSA-N 2 1 300.446 2.057 20 30 DEEDMP C=CCOC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252471818 1142725796 /nfs/dbraw/zinc/72/57/96/1142725796.db2.gz IXZUWWOSMRRFRO-GOSISDBHSA-N 2 1 310.482 2.279 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252594739 1142774503 /nfs/dbraw/zinc/77/45/03/1142774503.db2.gz BCXMJRWMBJQGNB-JYJNAYRXSA-N 2 1 306.475 2.439 20 30 DEEDMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[C@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657662 1143299860 /nfs/dbraw/zinc/29/98/60/1143299860.db2.gz FAIRSBMEORORCP-KBPBESRZSA-N 2 1 301.438 2.234 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cnc(C[NH3+])s1)C(C)C ZINC001340806406 1143448401 /nfs/dbraw/zinc/44/84/01/1143448401.db2.gz DOIHBTUAVPUMTF-CYBMUJFWSA-N 2 1 322.478 2.030 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001263865573 1144415818 /nfs/dbraw/zinc/41/58/18/1144415818.db2.gz NFSRDIUDAZBNCG-ULQDDVLXSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264018704 1144443131 /nfs/dbraw/zinc/44/31/31/1144443131.db2.gz GJCPHJMGVNMASD-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264055575 1144450709 /nfs/dbraw/zinc/45/07/09/1144450709.db2.gz FSIQAGTWGZFZTG-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001264055575 1144450715 /nfs/dbraw/zinc/45/07/15/1144450715.db2.gz FSIQAGTWGZFZTG-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001264055575 1144450719 /nfs/dbraw/zinc/45/07/19/1144450719.db2.gz FSIQAGTWGZFZTG-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001264120035 1144474333 /nfs/dbraw/zinc/47/43/33/1144474333.db2.gz BETIVIOESXTBRV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001264727425 1144601419 /nfs/dbraw/zinc/60/14/19/1144601419.db2.gz KONPYFTUYLSHGI-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001264727425 1144601424 /nfs/dbraw/zinc/60/14/24/1144601424.db2.gz KONPYFTUYLSHGI-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001264727425 1144601431 /nfs/dbraw/zinc/60/14/31/1144601431.db2.gz KONPYFTUYLSHGI-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001264727425 1144601436 /nfs/dbraw/zinc/60/14/36/1144601436.db2.gz KONPYFTUYLSHGI-BPQIPLTHSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001265372852 1144699475 /nfs/dbraw/zinc/69/94/75/1144699475.db2.gz RHSCYHCKBHDJIZ-OAHLLOKOSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523912 1144708862 /nfs/dbraw/zinc/70/88/62/1144708862.db2.gz QVRUGVJZAYKHGJ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567203 1144824841 /nfs/dbraw/zinc/82/48/41/1144824841.db2.gz WMLZZGJEIBRZHA-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001281038029 1144869674 /nfs/dbraw/zinc/86/96/74/1144869674.db2.gz XIMJMCPWDMXWCJ-UHFFFAOYSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281890725 1144918452 /nfs/dbraw/zinc/91/84/52/1144918452.db2.gz ZODXPJMUPSEECC-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619313 1145098590 /nfs/dbraw/zinc/09/85/90/1145098590.db2.gz PVHXNOPCCLKKTP-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658716 1145416776 /nfs/dbraw/zinc/41/67/76/1145416776.db2.gz MJHXEMOWILEUKJ-HKUYNNGSSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658716 1145416781 /nfs/dbraw/zinc/41/67/81/1145416781.db2.gz MJHXEMOWILEUKJ-HKUYNNGSSA-N 2 1 313.445 2.399 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001284131549 1145805545 /nfs/dbraw/zinc/80/55/45/1145805545.db2.gz QSHLQVVKLAJJSI-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001316668998 1146916361 /nfs/dbraw/zinc/91/63/61/1146916361.db2.gz KVEFOGKXUFRKHH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491857457 1146922470 /nfs/dbraw/zinc/92/24/70/1146922470.db2.gz SLMUPSGFIUPJEA-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001366102691 1147056325 /nfs/dbraw/zinc/05/63/25/1147056325.db2.gz BREBDOPTXJAZAW-INIZCTEOSA-N 2 1 321.852 2.061 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001366102691 1147056331 /nfs/dbraw/zinc/05/63/31/1147056331.db2.gz BREBDOPTXJAZAW-INIZCTEOSA-N 2 1 321.852 2.061 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCC)CC1 ZINC001317513194 1147542083 /nfs/dbraw/zinc/54/20/83/1147542083.db2.gz ILNYGVDLYZNVAZ-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001316804322 1147602957 /nfs/dbraw/zinc/60/29/57/1147602957.db2.gz GEKQOMLFYUCWMY-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001316851044 1147615106 /nfs/dbraw/zinc/61/51/06/1147615106.db2.gz OWHZRYMIAMUONE-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001316851044 1147615109 /nfs/dbraw/zinc/61/51/09/1147615109.db2.gz OWHZRYMIAMUONE-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001316851044 1147615110 /nfs/dbraw/zinc/61/51/10/1147615110.db2.gz OWHZRYMIAMUONE-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001316851044 1147615114 /nfs/dbraw/zinc/61/51/14/1147615114.db2.gz OWHZRYMIAMUONE-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316919982 1147631509 /nfs/dbraw/zinc/63/15/09/1147631509.db2.gz HPAQETQAEHEKAW-UHFFFAOYSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316991548 1147645193 /nfs/dbraw/zinc/64/51/93/1147645193.db2.gz YJVHNZQTFZOIBJ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316991548 1147645194 /nfs/dbraw/zinc/64/51/94/1147645194.db2.gz YJVHNZQTFZOIBJ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317018038 1147648739 /nfs/dbraw/zinc/64/87/39/1147648739.db2.gz XTGODFKSGGIPQO-IRXDYDNUSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317046039 1147652590 /nfs/dbraw/zinc/65/25/90/1147652590.db2.gz UJTQLWSJYUUYFG-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317139491 1147665198 /nfs/dbraw/zinc/66/51/98/1147665198.db2.gz JMLOGMOXUHGKOO-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317139491 1147665201 /nfs/dbraw/zinc/66/52/01/1147665201.db2.gz JMLOGMOXUHGKOO-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317172795 1147670451 /nfs/dbraw/zinc/67/04/51/1147670451.db2.gz FBOPQWPGBJOHCZ-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317534308 1147721763 /nfs/dbraw/zinc/72/17/63/1147721763.db2.gz ARVCCRJOMDZVJN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317534308 1147721765 /nfs/dbraw/zinc/72/17/65/1147721765.db2.gz ARVCCRJOMDZVJN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317534308 1147721767 /nfs/dbraw/zinc/72/17/67/1147721767.db2.gz ARVCCRJOMDZVJN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001317560047 1147725209 /nfs/dbraw/zinc/72/52/09/1147725209.db2.gz SLCAOIDRBIACEP-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001317560047 1147725210 /nfs/dbraw/zinc/72/52/10/1147725210.db2.gz SLCAOIDRBIACEP-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001317560047 1147725212 /nfs/dbraw/zinc/72/52/12/1147725212.db2.gz SLCAOIDRBIACEP-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001318371188 1147817418 /nfs/dbraw/zinc/81/74/18/1147817418.db2.gz OAOLZWYDUBRLKG-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001325778155 1147998209 /nfs/dbraw/zinc/99/82/09/1147998209.db2.gz DFOFJTUOYPTRLS-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001326604178 1148159130 /nfs/dbraw/zinc/15/91/30/1148159130.db2.gz SOZSFWLJKGNNJX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001326602641 1148159452 /nfs/dbraw/zinc/15/94/52/1148159452.db2.gz FEYQBCKFZVGXTM-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001368223473 1148340269 /nfs/dbraw/zinc/34/02/69/1148340269.db2.gz GIDMVDBBWBTSSA-INIZCTEOSA-N 2 1 324.856 2.162 20 30 DEEDMP N#Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000595056217 358383701 /nfs/dbraw/zinc/38/37/01/358383701.db2.gz DIZIGQFPYLYDRS-IBGZPJMESA-N 2 1 313.445 2.334 20 30 DEEDMP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000595297382 358415794 /nfs/dbraw/zinc/41/57/94/358415794.db2.gz SKYGJZJJSFMCHY-SFHVURJKSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000595297382 358415795 /nfs/dbraw/zinc/41/57/95/358415795.db2.gz SKYGJZJJSFMCHY-SFHVURJKSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595297382 358415796 /nfs/dbraw/zinc/41/57/96/358415796.db2.gz SKYGJZJJSFMCHY-SFHVURJKSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595297382 358415797 /nfs/dbraw/zinc/41/57/97/358415797.db2.gz SKYGJZJJSFMCHY-SFHVURJKSA-N 2 1 303.450 2.470 20 30 DEEDMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1C ZINC000597126046 358829530 /nfs/dbraw/zinc/82/95/30/358829530.db2.gz CBFNCYHJPHYANR-UHFFFAOYSA-N 2 1 311.433 2.164 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000442795919 238078173 /nfs/dbraw/zinc/07/81/73/238078173.db2.gz SJOANCDHSCENJO-YRXWBPOGSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000442795919 238078176 /nfs/dbraw/zinc/07/81/76/238078176.db2.gz SJOANCDHSCENJO-YRXWBPOGSA-N 2 1 313.445 2.151 20 30 DEEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000271908217 209315454 /nfs/dbraw/zinc/31/54/54/209315454.db2.gz XFWZYIVHFSQCRH-YJBOKZPZSA-N 2 1 301.434 2.446 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156585383 197125160 /nfs/dbraw/zinc/12/51/60/197125160.db2.gz GXBWNSITSWMUCM-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156585383 197125162 /nfs/dbraw/zinc/12/51/62/197125162.db2.gz GXBWNSITSWMUCM-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000115823648 401837564 /nfs/dbraw/zinc/83/75/64/401837564.db2.gz YDCNZGZCTCFQMN-INIZCTEOSA-N 2 1 322.497 2.010 20 30 DEEDMP CC1CCN(C(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000122472340 402079695 /nfs/dbraw/zinc/07/96/95/402079695.db2.gz BUSURQJETCDZQC-UHFFFAOYSA-N 2 1 314.477 2.481 20 30 DEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1ccccc1 ZINC000272892333 402961457 /nfs/dbraw/zinc/96/14/57/402961457.db2.gz IYIAIVRQZFRUSL-GOSISDBHSA-N 2 1 324.428 2.180 20 30 DEEDMP C=CCN1CC[C@H](N(C)Cc2ccc(-n3ccnc3)cc2)C1=O ZINC000281199360 403060481 /nfs/dbraw/zinc/06/04/81/403060481.db2.gz IYGWQNDDLSQNGB-KRWDZBQOSA-N 2 1 310.401 2.091 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277416765 403215565 /nfs/dbraw/zinc/21/55/65/403215565.db2.gz FAVZKQUUAPDECH-INIZCTEOSA-N 2 1 316.449 2.116 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264161 403199292 /nfs/dbraw/zinc/19/92/92/403199292.db2.gz RECMCAXFPGQBEP-MRXNPFEDSA-N 2 1 317.433 2.362 20 30 DEEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277264161 403199294 /nfs/dbraw/zinc/19/92/94/403199294.db2.gz RECMCAXFPGQBEP-MRXNPFEDSA-N 2 1 317.433 2.362 20 30 DEEDMP C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070482 403750079 /nfs/dbraw/zinc/75/00/79/403750079.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070482 403750085 /nfs/dbraw/zinc/75/00/85/403750085.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295070482 403750087 /nfs/dbraw/zinc/75/00/87/403750087.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295070482 403750093 /nfs/dbraw/zinc/75/00/93/403750093.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295070482 403750096 /nfs/dbraw/zinc/75/00/96/403750096.db2.gz RZVPJWRHBHYGKJ-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361768054 403853575 /nfs/dbraw/zinc/85/35/75/403853575.db2.gz YEQKLRWTRKHEKQ-RDJZCZTQSA-N 2 1 322.497 2.151 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000290455506 404176969 /nfs/dbraw/zinc/17/69/69/404176969.db2.gz DCOBQVVOBDOSMN-MRXNPFEDSA-N 2 1 300.450 2.355 20 30 DEEDMP N#Cc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000344555978 404224567 /nfs/dbraw/zinc/22/45/67/404224567.db2.gz YPRPTTNCANDKEQ-FQEVSTJZSA-N 2 1 321.424 2.285 20 30 DEEDMP CNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329758037 404441692 /nfs/dbraw/zinc/44/16/92/404441692.db2.gz NIVKEGFBWKZEOD-CQSZACIVSA-N 2 1 313.405 2.374 20 30 DEEDMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330084543 404548713 /nfs/dbraw/zinc/54/87/13/404548713.db2.gz LBFLPORUAFJAKX-HNNXBMFYSA-N 2 1 319.453 2.220 20 30 DEEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330084543 404548717 /nfs/dbraw/zinc/54/87/17/404548717.db2.gz LBFLPORUAFJAKX-HNNXBMFYSA-N 2 1 319.453 2.220 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC000297736725 404606324 /nfs/dbraw/zinc/60/63/24/404606324.db2.gz ZULGJTCYSMQCKO-MRXNPFEDSA-N 2 1 304.438 2.006 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000357983005 404750528 /nfs/dbraw/zinc/75/05/28/404750528.db2.gz YKAOJPIHXPZTKZ-HNNXBMFYSA-N 2 1 310.486 2.056 20 30 DEEDMP C=CC[C@H]1[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760259 404726234 /nfs/dbraw/zinc/72/62/34/404726234.db2.gz QDGAUTAKXWCVIY-HZPDHXFCSA-N 2 1 307.482 2.250 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419284649 405235405 /nfs/dbraw/zinc/23/54/05/405235405.db2.gz CRHFHMLOEGXJGP-HNNXBMFYSA-N 2 1 305.466 2.182 20 30 DEEDMP C=CCN(CC=C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580462016 405622414 /nfs/dbraw/zinc/62/24/14/405622414.db2.gz NNOIHFGQJMJTFU-UHFFFAOYSA-N 2 1 319.493 2.383 20 30 DEEDMP C=CC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583943699 405794403 /nfs/dbraw/zinc/79/44/03/405794403.db2.gz QTWJQJAWPZZHTG-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531841719 406014018 /nfs/dbraw/zinc/01/40/18/406014018.db2.gz CLOYWYBCMMJREK-INIZCTEOSA-N 2 1 322.497 2.047 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000517324678 406125464 /nfs/dbraw/zinc/12/54/64/406125464.db2.gz XUFDRRSJESQKCO-MRXNPFEDSA-N 2 1 322.497 2.056 20 30 DEEDMP C=CCOc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1Cl ZINC000647493035 407007028 /nfs/dbraw/zinc/00/70/28/407007028.db2.gz QIMSRQJRIYLQIP-UHFFFAOYSA-N 2 1 323.868 2.242 20 30 DEEDMP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000246533339 225227758 /nfs/dbraw/zinc/22/77/58/225227758.db2.gz GRTMMYVSGUPEPS-JFIYKMOQSA-N 2 1 318.465 2.251 20 30 DEEDMP C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310749 227212989 /nfs/dbraw/zinc/21/29/89/227212989.db2.gz CXDNWILBERIMGZ-SJORKVTESA-N 2 1 306.498 2.274 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nn1 ZINC000653594986 425186941 /nfs/dbraw/zinc/18/69/41/425186941.db2.gz PBTBMNDTXKANII-UHFFFAOYSA-N 2 1 305.470 2.408 20 30 DEEDMP C=CC[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CCC[NH2+]1 ZINC000662702095 425717162 /nfs/dbraw/zinc/71/71/62/425717162.db2.gz WLKHZHDBEMBGTQ-FUHWJXTLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001479991239 1151274677 /nfs/dbraw/zinc/27/46/77/1151274677.db2.gz CYSBZMXFHHZUMZ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001424339975 1173765885 /nfs/dbraw/zinc/76/58/85/1173765885.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001424339975 1173765888 /nfs/dbraw/zinc/76/58/88/1173765888.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001424339975 1173765890 /nfs/dbraw/zinc/76/58/90/1173765890.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001424339975 1173765902 /nfs/dbraw/zinc/76/59/02/1173765902.db2.gz MDKLCAXREYARAF-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP CC[N@H+]1CCC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC001349912146 1151306155 /nfs/dbraw/zinc/30/61/55/1151306155.db2.gz UPGQGFSOWFYYHG-QGZVFWFLSA-N 2 1 302.466 2.426 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424698805 1173875553 /nfs/dbraw/zinc/87/55/53/1173875553.db2.gz HMACRPPJQRMDSS-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001424698805 1173875555 /nfs/dbraw/zinc/87/55/55/1173875555.db2.gz HMACRPPJQRMDSS-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC000563529232 333619927 /nfs/dbraw/zinc/61/99/27/333619927.db2.gz TZYKDGCWVNGABV-GOSISDBHSA-N 2 1 318.461 2.365 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001329935714 1149019020 /nfs/dbraw/zinc/01/90/20/1149019020.db2.gz GKZAGPPYTYTMER-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329935714 1149019026 /nfs/dbraw/zinc/01/90/26/1149019026.db2.gz GKZAGPPYTYTMER-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329935714 1149019029 /nfs/dbraw/zinc/01/90/29/1149019029.db2.gz GKZAGPPYTYTMER-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262676682 534162136 /nfs/dbraw/zinc/16/21/36/534162136.db2.gz UFSYVSCHQXIXDJ-OAHLLOKOSA-N 2 1 300.450 2.452 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000294865200 526827567 /nfs/dbraw/zinc/82/75/67/526827567.db2.gz CGFIMWWLSZVCRR-OAHLLOKOSA-N 2 1 318.461 2.488 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000294865200 526827573 /nfs/dbraw/zinc/82/75/73/526827573.db2.gz CGFIMWWLSZVCRR-OAHLLOKOSA-N 2 1 318.461 2.488 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291011 527721979 /nfs/dbraw/zinc/72/19/79/527721979.db2.gz PYMJXMTYPRMYED-QGZVFWFLSA-N 2 1 302.466 2.459 20 30 DEEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCc2ccccc21 ZINC000263245628 528814258 /nfs/dbraw/zinc/81/42/58/528814258.db2.gz MTAWWFIIWFEWKX-OAHLLOKOSA-N 2 1 300.450 2.356 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466425 625282776 /nfs/dbraw/zinc/28/27/76/625282776.db2.gz CQMKBNQVRPFFBD-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001026359919 625352182 /nfs/dbraw/zinc/35/21/82/625352182.db2.gz HCPPSCRZXQHEIA-YESZJQIVSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311115 625447151 /nfs/dbraw/zinc/44/71/51/625447151.db2.gz YGFKSEPNIGYPNI-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475851 625467456 /nfs/dbraw/zinc/46/74/56/625467456.db2.gz VLLXPIUPOXOYCR-NVXWUHKLSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972701067 625469456 /nfs/dbraw/zinc/46/94/56/625469456.db2.gz SHKLFFROWAXICQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972701067 625469457 /nfs/dbraw/zinc/46/94/57/625469457.db2.gz SHKLFFROWAXICQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972701067 625469459 /nfs/dbraw/zinc/46/94/59/625469459.db2.gz SHKLFFROWAXICQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114318 622566857 /nfs/dbraw/zinc/56/68/57/622566857.db2.gz GKODFIXNDIDYIK-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969692369 622886662 /nfs/dbraw/zinc/88/66/62/622886662.db2.gz IABONVHVJZIGSO-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027652146 634385609 /nfs/dbraw/zinc/38/56/09/634385609.db2.gz OMZRDTXXGUWKCJ-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027652146 634385611 /nfs/dbraw/zinc/38/56/11/634385611.db2.gz OMZRDTXXGUWKCJ-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027652146 634385613 /nfs/dbraw/zinc/38/56/13/634385613.db2.gz OMZRDTXXGUWKCJ-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027652146 634385617 /nfs/dbraw/zinc/38/56/17/634385617.db2.gz OMZRDTXXGUWKCJ-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636538 623871108 /nfs/dbraw/zinc/87/11/08/623871108.db2.gz QSMCMGDOHJUFLA-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636538 623871114 /nfs/dbraw/zinc/87/11/14/623871114.db2.gz QSMCMGDOHJUFLA-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681675 623951857 /nfs/dbraw/zinc/95/18/57/623951857.db2.gz IOHPJUUFHDBOCH-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024813328 625065989 /nfs/dbraw/zinc/06/59/89/625065989.db2.gz ZGCGQEPYDFCBEJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818563 625785005 /nfs/dbraw/zinc/78/50/05/625785005.db2.gz ORZYARZXYADDEM-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818563 625785010 /nfs/dbraw/zinc/78/50/10/625785010.db2.gz ORZYARZXYADDEM-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818563 625785018 /nfs/dbraw/zinc/78/50/18/625785018.db2.gz ORZYARZXYADDEM-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024477155 625803556 /nfs/dbraw/zinc/80/35/56/625803556.db2.gz KAGYKSVGKNXCNE-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479816 625808736 /nfs/dbraw/zinc/80/87/36/625808736.db2.gz QFISHKVRTBDIMG-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479816 625808744 /nfs/dbraw/zinc/80/87/44/625808744.db2.gz QFISHKVRTBDIMG-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001024647147 625949010 /nfs/dbraw/zinc/94/90/10/625949010.db2.gz JQMJFYLZHOVQTB-LSDHHAIUSA-N 2 1 316.449 2.376 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000999203555 634515282 /nfs/dbraw/zinc/51/52/82/634515282.db2.gz BYFRNFZEWPQOEK-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995999716 633158720 /nfs/dbraw/zinc/15/87/20/633158720.db2.gz ZLKYHPJSGVVPQU-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650267 633207435 /nfs/dbraw/zinc/20/74/35/633207435.db2.gz IIDVWMLYYLKXBX-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650267 633207438 /nfs/dbraw/zinc/20/74/38/633207438.db2.gz IIDVWMLYYLKXBX-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677492 633229684 /nfs/dbraw/zinc/22/96/84/633229684.db2.gz DXJQONYGXDYMDY-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677492 633229688 /nfs/dbraw/zinc/22/96/88/633229688.db2.gz DXJQONYGXDYMDY-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677492 633229693 /nfs/dbraw/zinc/22/96/93/633229693.db2.gz DXJQONYGXDYMDY-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996659682 633332134 /nfs/dbraw/zinc/33/21/34/633332134.db2.gz PXYPEDBALREWID-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996715930 633366476 /nfs/dbraw/zinc/36/64/76/633366476.db2.gz GWDAWWMEVIDLQW-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997514532 633819556 /nfs/dbraw/zinc/81/95/56/633819556.db2.gz GQWXWAWIGPAYFG-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142786 /nfs/dbraw/zinc/14/27/86/634142786.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142791 /nfs/dbraw/zinc/14/27/91/634142791.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998105228 634142793 /nfs/dbraw/zinc/14/27/93/634142793.db2.gz XSSORDJFLQQROG-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000836918864 650145965 /nfs/dbraw/zinc/14/59/65/650145965.db2.gz BXEAMWYPVOZZPD-MRXNPFEDSA-N 2 1 315.461 2.085 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913655 634948140 /nfs/dbraw/zinc/94/81/40/634948140.db2.gz NIZHWPGNLDOWPE-HNNXBMFYSA-N 2 1 319.474 2.027 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001027913655 634948141 /nfs/dbraw/zinc/94/81/41/634948141.db2.gz NIZHWPGNLDOWPE-HNNXBMFYSA-N 2 1 319.474 2.027 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027929283 634991137 /nfs/dbraw/zinc/99/11/37/634991137.db2.gz DCOXINGHTQFHJA-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929283 634991138 /nfs/dbraw/zinc/99/11/38/634991138.db2.gz DCOXINGHTQFHJA-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929283 634991142 /nfs/dbraw/zinc/99/11/42/634991142.db2.gz DCOXINGHTQFHJA-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486915 635018530 /nfs/dbraw/zinc/01/85/30/635018530.db2.gz XAJUTMJOERDYON-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001000351742 635152903 /nfs/dbraw/zinc/15/29/03/635152903.db2.gz FDPYKPIXWVJFCE-CQSZACIVSA-N 2 1 324.856 2.340 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000839481 635318284 /nfs/dbraw/zinc/31/82/84/635318284.db2.gz FETRNRXWHRRQTL-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001000839481 635318290 /nfs/dbraw/zinc/31/82/90/635318290.db2.gz FETRNRXWHRRQTL-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001000839481 635318296 /nfs/dbraw/zinc/31/82/96/635318296.db2.gz FETRNRXWHRRQTL-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001001010393 635378317 /nfs/dbraw/zinc/37/83/17/635378317.db2.gz TUYVVFHDOPBMHJ-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982123 635788410 /nfs/dbraw/zinc/78/84/10/635788410.db2.gz LTZAVBPWBFGTRF-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002791976 635798534 /nfs/dbraw/zinc/79/85/34/635798534.db2.gz LANRFJNBVFPHAO-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003142998 635915277 /nfs/dbraw/zinc/91/52/77/635915277.db2.gz FVMHNXHHEUDDFF-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000922273985 636055268 /nfs/dbraw/zinc/05/52/68/636055268.db2.gz PWQOWWJLVHADSS-UHFFFAOYSA-N 2 1 314.477 2.244 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004616620 636503099 /nfs/dbraw/zinc/50/30/99/636503099.db2.gz LJSNPFAORGABMS-KRWDZBQOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004616620 636503105 /nfs/dbraw/zinc/50/31/05/636503105.db2.gz LJSNPFAORGABMS-KRWDZBQOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC001028687127 636624620 /nfs/dbraw/zinc/62/46/20/636624620.db2.gz HKNCLOGETSPSSW-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754361 636700599 /nfs/dbraw/zinc/70/05/99/636700599.db2.gz CXHNUZBLERIWAO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754361 636700602 /nfs/dbraw/zinc/70/06/02/636700602.db2.gz CXHNUZBLERIWAO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754361 636700609 /nfs/dbraw/zinc/70/06/09/636700609.db2.gz CXHNUZBLERIWAO-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187055743 636907514 /nfs/dbraw/zinc/90/75/14/636907514.db2.gz ARVLTQGAXWXFRV-KRWDZBQOSA-N 2 1 300.450 2.377 20 30 DEEDMP CN1CC[NH+](CC2CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000894457796 637047955 /nfs/dbraw/zinc/04/79/55/637047955.db2.gz HXTPATPJXLNQRJ-UHFFFAOYSA-N 2 1 318.490 2.079 20 30 DEEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000896650616 638624156 /nfs/dbraw/zinc/62/41/56/638624156.db2.gz JJWIEXJQTIIUDR-QGZVFWFLSA-N 2 1 313.449 2.171 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985426191 639393387 /nfs/dbraw/zinc/39/33/87/639393387.db2.gz MQWRFEDXKYPYOI-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985426191 639393393 /nfs/dbraw/zinc/39/33/93/639393393.db2.gz MQWRFEDXKYPYOI-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985426191 639393400 /nfs/dbraw/zinc/39/34/00/639393400.db2.gz MQWRFEDXKYPYOI-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000985479732 639455166 /nfs/dbraw/zinc/45/51/66/639455166.db2.gz DOJBWDZHIOJIQY-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000985479732 639455169 /nfs/dbraw/zinc/45/51/69/639455169.db2.gz DOJBWDZHIOJIQY-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000985479732 639455171 /nfs/dbraw/zinc/45/51/71/639455171.db2.gz DOJBWDZHIOJIQY-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911637408 645758928 /nfs/dbraw/zinc/75/89/28/645758928.db2.gz WMQNZPLJWNRNPT-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP CCCC[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912496732 646081668 /nfs/dbraw/zinc/08/16/68/646081668.db2.gz DUYIDDJODLILRN-HNNXBMFYSA-N 2 1 312.502 2.231 20 30 DEEDMP C#CC[N@H+](C)CCCNc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000840306263 646828723 /nfs/dbraw/zinc/82/87/23/646828723.db2.gz CJVNVITXGNHTPN-UHFFFAOYSA-N 2 1 313.401 2.041 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992117484 646858202 /nfs/dbraw/zinc/85/82/02/646858202.db2.gz KMLLNZWRMCSQKR-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992117484 646858204 /nfs/dbraw/zinc/85/82/04/646858204.db2.gz KMLLNZWRMCSQKR-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992117484 646858208 /nfs/dbraw/zinc/85/82/08/646858208.db2.gz KMLLNZWRMCSQKR-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992117484 646858210 /nfs/dbraw/zinc/85/82/10/646858210.db2.gz KMLLNZWRMCSQKR-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145247 646871725 /nfs/dbraw/zinc/87/17/25/646871725.db2.gz PRRIQBWLCPGVQU-FUHWJXTLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992359581 646958422 /nfs/dbraw/zinc/95/84/22/646958422.db2.gz GEEZTWFCZZURDA-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992359581 646958424 /nfs/dbraw/zinc/95/84/24/646958424.db2.gz GEEZTWFCZZURDA-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992412053 646979976 /nfs/dbraw/zinc/97/99/76/646979976.db2.gz QQIQWLRXKHISLW-VQIMIIECSA-N 2 1 317.477 2.162 20 30 DEEDMP C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000815206144 646986877 /nfs/dbraw/zinc/98/68/77/646986877.db2.gz IJHSWZULEBEELN-AWEZNQCLSA-N 2 1 317.424 2.072 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993602679 647704004 /nfs/dbraw/zinc/70/40/04/647704004.db2.gz AVVRYAQGNQSKOF-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993602679 647704007 /nfs/dbraw/zinc/70/40/07/647704007.db2.gz AVVRYAQGNQSKOF-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993903789 647760977 /nfs/dbraw/zinc/76/09/77/647760977.db2.gz MSQZPKJUNZVEOF-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993903789 647760981 /nfs/dbraw/zinc/76/09/81/647760981.db2.gz MSQZPKJUNZVEOF-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000179636279 648406132 /nfs/dbraw/zinc/40/61/32/648406132.db2.gz IEVNRYJDJQJNOE-QGZVFWFLSA-N 2 1 300.450 2.420 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943283 648974955 /nfs/dbraw/zinc/97/49/55/648974955.db2.gz KRWSYWCPKYYNFD-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H](C)C1 ZINC000942053855 649145085 /nfs/dbraw/zinc/14/50/85/649145085.db2.gz UYRUQAIAERJBPZ-YOEHRIQHSA-N 2 1 324.428 2.106 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206470 649184760 /nfs/dbraw/zinc/18/47/60/649184760.db2.gz ZWTNDAGFNLSCED-RDTXWAMCSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)[C@H](C)C1 ZINC000942484664 649226940 /nfs/dbraw/zinc/22/69/40/649226940.db2.gz DNPYQKQPVMQURI-HUUCEWRRSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517944 649231630 /nfs/dbraw/zinc/23/16/30/649231630.db2.gz JMAUFTUPSNAWNV-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290075 649359356 /nfs/dbraw/zinc/35/93/56/649359356.db2.gz UQYHKIBJABLPTF-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290075 649359357 /nfs/dbraw/zinc/35/93/57/649359357.db2.gz UQYHKIBJABLPTF-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755482 649422354 /nfs/dbraw/zinc/42/23/54/649422354.db2.gz FERHTXPVXGNSEY-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000848553067 651470093 /nfs/dbraw/zinc/47/00/93/651470093.db2.gz IDTBKLBITSEAAS-SFHVURJKSA-N 2 1 314.429 2.042 20 30 DEEDMP C[NH+]=C(NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000849026429 651587177 /nfs/dbraw/zinc/58/71/77/651587177.db2.gz ZKHWFHUPCKMIDT-SFHVURJKSA-N 2 1 300.450 2.226 20 30 DEEDMP C#CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603667 651956936 /nfs/dbraw/zinc/95/69/36/651956936.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603667 651956938 /nfs/dbraw/zinc/95/69/38/651956938.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603667 651956940 /nfs/dbraw/zinc/95/69/40/651956940.db2.gz OAVHIGOMMIBFRP-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749433 685259206 /nfs/dbraw/zinc/25/92/06/685259206.db2.gz HSHKESIADJCPEO-MRXNPFEDSA-N 2 1 320.456 2.492 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751265 685259651 /nfs/dbraw/zinc/25/96/51/685259651.db2.gz JBVCVMSAVXHSGU-OAHLLOKOSA-N 2 1 310.486 2.114 20 30 DEEDMP CC(C)CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCC1 ZINC000304933241 685263903 /nfs/dbraw/zinc/26/39/03/685263903.db2.gz FVMYQITZMCPICW-UHFFFAOYSA-N 2 1 324.513 2.220 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187614 693875139 /nfs/dbraw/zinc/87/51/39/693875139.db2.gz WFDVFKBIDWRELY-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000303880298 685237304 /nfs/dbraw/zinc/23/73/04/685237304.db2.gz HCJZYORYYZUHIW-CVEARBPZSA-N 2 1 302.466 2.254 20 30 DEEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCC1CCC1 ZINC000303881653 685237340 /nfs/dbraw/zinc/23/73/40/685237340.db2.gz HTTKXGGPNHMNOY-UHFFFAOYSA-N 2 1 300.450 2.139 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303888756 685237396 /nfs/dbraw/zinc/23/73/96/685237396.db2.gz PCLSFZSZDXCCCE-OAHLLOKOSA-N 2 1 302.466 2.384 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303888756 685237400 /nfs/dbraw/zinc/23/74/00/685237400.db2.gz PCLSFZSZDXCCCE-OAHLLOKOSA-N 2 1 302.466 2.384 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303978275 685240856 /nfs/dbraw/zinc/24/08/56/685240856.db2.gz MEICYODGGCFYSA-IVMMDQJWSA-N 2 1 304.413 2.070 20 30 DEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C(C)C ZINC000303986931 685242165 /nfs/dbraw/zinc/24/21/65/685242165.db2.gz UZELJFBZQBDULH-UHFFFAOYSA-N 2 1 320.437 2.305 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015978274 687489135 /nfs/dbraw/zinc/48/91/35/687489135.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015978274 687489137 /nfs/dbraw/zinc/48/91/37/687489137.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015978274 687489139 /nfs/dbraw/zinc/48/91/39/687489139.db2.gz YNVNLJIMDJYUJC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016542545 687648667 /nfs/dbraw/zinc/64/86/67/687648667.db2.gz IVYBNTYUELXYJJ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016689430 687683585 /nfs/dbraw/zinc/68/35/85/687683585.db2.gz ZXHYRHRNGJUCPE-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985947 687749539 /nfs/dbraw/zinc/74/95/39/687749539.db2.gz NDQORFFLEMPQRX-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001017553598 687910740 /nfs/dbraw/zinc/91/07/40/687910740.db2.gz NWIMFFLUMHMZCH-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017553598 687910745 /nfs/dbraw/zinc/91/07/45/687910745.db2.gz NWIMFFLUMHMZCH-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017553598 687910749 /nfs/dbraw/zinc/91/07/49/687910749.db2.gz NWIMFFLUMHMZCH-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001375745489 1158860109 /nfs/dbraw/zinc/86/01/09/1158860109.db2.gz YPVXSBFTKGLCOT-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800210 689263720 /nfs/dbraw/zinc/26/37/20/689263720.db2.gz ALENFLDAGPVFAT-IRXDYDNUSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800210 689263722 /nfs/dbraw/zinc/26/37/22/689263722.db2.gz ALENFLDAGPVFAT-IRXDYDNUSA-N 2 1 313.445 2.223 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001033160059 689408130 /nfs/dbraw/zinc/40/81/30/689408130.db2.gz DCQQMGOLXANOKH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001033160059 689408132 /nfs/dbraw/zinc/40/81/32/689408132.db2.gz DCQQMGOLXANOKH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001033160059 689408135 /nfs/dbraw/zinc/40/81/35/689408135.db2.gz DCQQMGOLXANOKH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001033160059 689408137 /nfs/dbraw/zinc/40/81/37/689408137.db2.gz DCQQMGOLXANOKH-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354054 689474442 /nfs/dbraw/zinc/47/44/42/689474442.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033354054 689474443 /nfs/dbraw/zinc/47/44/43/689474443.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033354054 689474444 /nfs/dbraw/zinc/47/44/44/689474444.db2.gz MJWMYKBQAIIFTP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033573016 689547832 /nfs/dbraw/zinc/54/78/32/689547832.db2.gz CSSOWXZPBMFUSE-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686170 689582934 /nfs/dbraw/zinc/58/29/34/689582934.db2.gz SUSNRBTUNYVUAY-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685505 689583534 /nfs/dbraw/zinc/58/35/34/689583534.db2.gz UQNDVZPQLFAPEP-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855295 689639255 /nfs/dbraw/zinc/63/92/55/689639255.db2.gz JHMGWUHIDYUBFW-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855295 689639256 /nfs/dbraw/zinc/63/92/56/689639256.db2.gz JHMGWUHIDYUBFW-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855295 689639258 /nfs/dbraw/zinc/63/92/58/689639258.db2.gz JHMGWUHIDYUBFW-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855058 689639613 /nfs/dbraw/zinc/63/96/13/689639613.db2.gz GNMJLZKCFNNXRU-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855058 689639615 /nfs/dbraw/zinc/63/96/15/689639615.db2.gz GNMJLZKCFNNXRU-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855058 689639620 /nfs/dbraw/zinc/63/96/20/689639620.db2.gz GNMJLZKCFNNXRU-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878431 689647993 /nfs/dbraw/zinc/64/79/93/689647993.db2.gz KULOYWPSTVUIJQ-QGZVFWFLSA-N 2 1 324.428 2.202 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285337 689794631 /nfs/dbraw/zinc/79/46/31/689794631.db2.gz BTAJXABKCKQPJD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285337 689794634 /nfs/dbraw/zinc/79/46/34/689794634.db2.gz BTAJXABKCKQPJD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285337 689794636 /nfs/dbraw/zinc/79/46/36/689794636.db2.gz BTAJXABKCKQPJD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439264 689851350 /nfs/dbraw/zinc/85/13/50/689851350.db2.gz SSRAQDNSZFCMRK-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642549 689917221 /nfs/dbraw/zinc/91/72/21/689917221.db2.gz HCCCGNFFDQRSKP-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000876736226 689921521 /nfs/dbraw/zinc/92/15/21/689921521.db2.gz JXHUSDRIBNAKRW-OAHLLOKOSA-N 2 1 309.841 2.224 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778979 689935221 /nfs/dbraw/zinc/93/52/21/689935221.db2.gz UBDMHHHTKFYENS-GDBMZVCRSA-N 2 1 323.868 2.483 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778980 689935243 /nfs/dbraw/zinc/93/52/43/689935243.db2.gz UBDMHHHTKFYENS-GOEBONIOSA-N 2 1 323.868 2.483 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120435 690023281 /nfs/dbraw/zinc/02/32/81/690023281.db2.gz ROIMEEWMYHTDAW-HOTGVXAUSA-N 2 1 321.852 2.095 20 30 DEEDMP C=CC[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000878090609 690306908 /nfs/dbraw/zinc/30/69/08/690306908.db2.gz YWUPWTFREGOEAB-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773140 690468888 /nfs/dbraw/zinc/46/88/88/690468888.db2.gz ITAPTODDNFQPSB-RHSMWYFYSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001037976439 690654471 /nfs/dbraw/zinc/65/44/71/690654471.db2.gz ZRPMFKBHYVTVES-CABCVRRESA-N 2 1 324.856 2.161 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474364 691114986 /nfs/dbraw/zinc/11/49/86/691114986.db2.gz DEYJNDVAZVJHLZ-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262761 691222031 /nfs/dbraw/zinc/22/20/31/691222031.db2.gz UYDJJMLCOKSPOR-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040283002 691225258 /nfs/dbraw/zinc/22/52/58/691225258.db2.gz YZDHJVISYLIHBK-GOSISDBHSA-N 2 1 317.477 2.115 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292020 691226198 /nfs/dbraw/zinc/22/61/98/691226198.db2.gz JXVRZYSQZUDKKM-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292020 691226199 /nfs/dbraw/zinc/22/61/99/691226199.db2.gz JXVRZYSQZUDKKM-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913575 691297920 /nfs/dbraw/zinc/29/79/20/691297920.db2.gz AUSSJZCDUIPXMW-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276212 691354583 /nfs/dbraw/zinc/35/45/83/691354583.db2.gz ISXOGSOCKGTWPN-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276212 691354587 /nfs/dbraw/zinc/35/45/87/691354587.db2.gz ISXOGSOCKGTWPN-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276212 691354589 /nfs/dbraw/zinc/35/45/89/691354589.db2.gz ISXOGSOCKGTWPN-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433589 691374887 /nfs/dbraw/zinc/37/48/87/691374887.db2.gz ZVVOXVOJKWZUPW-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433589 691374888 /nfs/dbraw/zinc/37/48/88/691374888.db2.gz ZVVOXVOJKWZUPW-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433589 691374890 /nfs/dbraw/zinc/37/48/90/691374890.db2.gz ZVVOXVOJKWZUPW-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725279 691418087 /nfs/dbraw/zinc/41/80/87/691418087.db2.gz MUUYKZVFMLQFTA-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132804 691517005 /nfs/dbraw/zinc/51/70/05/691517005.db2.gz FSBNTFCVHGZIKT-WMLDXEAASA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001044033549 691761665 /nfs/dbraw/zinc/76/16/65/691761665.db2.gz ADMKRSGKFQGJSC-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044033549 691761670 /nfs/dbraw/zinc/76/16/70/691761670.db2.gz ADMKRSGKFQGJSC-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045439925 691981190 /nfs/dbraw/zinc/98/11/90/691981190.db2.gz CGBISBVTORUQRP-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531684 691993634 /nfs/dbraw/zinc/99/36/34/691993634.db2.gz NVIUFJJABKXVOG-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921419 692051874 /nfs/dbraw/zinc/05/18/74/692051874.db2.gz LEKRBPCOIFEONM-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921419 692051877 /nfs/dbraw/zinc/05/18/77/692051877.db2.gz LEKRBPCOIFEONM-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921419 692051880 /nfs/dbraw/zinc/05/18/80/692051880.db2.gz LEKRBPCOIFEONM-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945001 692058716 /nfs/dbraw/zinc/05/87/16/692058716.db2.gz LTMPZCGGGNRMOA-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046368638 692167593 /nfs/dbraw/zinc/16/75/93/692167593.db2.gz FTVJDTYWSIOYRE-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368638 692167594 /nfs/dbraw/zinc/16/75/94/692167594.db2.gz FTVJDTYWSIOYRE-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368638 692167595 /nfs/dbraw/zinc/16/75/95/692167595.db2.gz FTVJDTYWSIOYRE-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049553361 692919150 /nfs/dbraw/zinc/91/91/50/692919150.db2.gz UFPZATAGAPWOJI-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049553361 692919154 /nfs/dbraw/zinc/91/91/54/692919154.db2.gz UFPZATAGAPWOJI-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049553361 692919157 /nfs/dbraw/zinc/91/91/57/692919157.db2.gz UFPZATAGAPWOJI-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719847 692974436 /nfs/dbraw/zinc/97/44/36/692974436.db2.gz UIOMYZFTRCGXMT-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719847 692974441 /nfs/dbraw/zinc/97/44/41/692974441.db2.gz UIOMYZFTRCGXMT-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719847 692974445 /nfs/dbraw/zinc/97/44/45/692974445.db2.gz UIOMYZFTRCGXMT-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049841646 693018043 /nfs/dbraw/zinc/01/80/43/693018043.db2.gz SYKYFNYNCHFMGE-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841646 693018046 /nfs/dbraw/zinc/01/80/46/693018046.db2.gz SYKYFNYNCHFMGE-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841646 693018049 /nfs/dbraw/zinc/01/80/49/693018049.db2.gz SYKYFNYNCHFMGE-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898043 693040752 /nfs/dbraw/zinc/04/07/52/693040752.db2.gz WKXDIHXWFWGHFR-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098576 /nfs/dbraw/zinc/09/85/76/693098576.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098578 /nfs/dbraw/zinc/09/85/78/693098578.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067637 693098580 /nfs/dbraw/zinc/09/85/80/693098580.db2.gz PBLVIGNRBSGVCL-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486810 693545761 /nfs/dbraw/zinc/54/57/61/693545761.db2.gz PCVFVBNVJKAUMS-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513510 693554550 /nfs/dbraw/zinc/55/45/50/693554550.db2.gz FETVDSJGZZVAGI-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052864986 693637173 /nfs/dbraw/zinc/63/71/73/693637173.db2.gz BXQHYMZYHOPEGP-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052864986 693637175 /nfs/dbraw/zinc/63/71/75/693637175.db2.gz BXQHYMZYHOPEGP-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052864986 693637176 /nfs/dbraw/zinc/63/71/76/693637176.db2.gz BXQHYMZYHOPEGP-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C/CC)C1 ZINC001333082405 1149992237 /nfs/dbraw/zinc/99/22/37/1149992237.db2.gz NPRVLRQJCAORAW-FSONESNVSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C/CC)C1 ZINC001333082405 1149992260 /nfs/dbraw/zinc/99/22/60/1149992260.db2.gz NPRVLRQJCAORAW-FSONESNVSA-N 2 1 317.477 2.019 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001402416063 1162348715 /nfs/dbraw/zinc/34/87/15/1162348715.db2.gz JHGUJDDOJLPVSQ-HIFRSBDPSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001381736209 1153199835 /nfs/dbraw/zinc/19/98/35/1153199835.db2.gz YFUCAYKGDQJEEK-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001382020934 1153320984 /nfs/dbraw/zinc/32/09/84/1153320984.db2.gz XLTWITRZKNSXTE-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@H]12 ZINC001382338478 1153429417 /nfs/dbraw/zinc/42/94/17/1153429417.db2.gz PCVBFOWYBFPRHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@H]12 ZINC001382338478 1153429421 /nfs/dbraw/zinc/42/94/21/1153429421.db2.gz PCVBFOWYBFPRHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001382338478 1153429423 /nfs/dbraw/zinc/42/94/23/1153429423.db2.gz PCVBFOWYBFPRHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001382338478 1153429425 /nfs/dbraw/zinc/42/94/25/1153429425.db2.gz PCVBFOWYBFPRHJ-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001375588159 1158821968 /nfs/dbraw/zinc/82/19/68/1158821968.db2.gz SNLOSBFOJGKDLD-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001397261647 1160089855 /nfs/dbraw/zinc/08/98/55/1160089855.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001397261647 1160089866 /nfs/dbraw/zinc/08/98/66/1160089866.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001397261647 1160089876 /nfs/dbraw/zinc/08/98/76/1160089876.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001397261647 1160089886 /nfs/dbraw/zinc/08/98/86/1160089886.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001397261647 1160089896 /nfs/dbraw/zinc/08/98/96/1160089896.db2.gz GCLPATSNNPCBDU-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492965631 1165215205 /nfs/dbraw/zinc/21/52/05/1165215205.db2.gz LTGGWCJSCCUKDD-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001492965631 1165215212 /nfs/dbraw/zinc/21/52/12/1165215212.db2.gz LTGGWCJSCCUKDD-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001492965631 1165215223 /nfs/dbraw/zinc/21/52/23/1165215223.db2.gz LTGGWCJSCCUKDD-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001419074041 1168178051 /nfs/dbraw/zinc/17/80/51/1168178051.db2.gz BGAHZFVDSGINKN-HIFRSBDPSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001419937200 1168960894 /nfs/dbraw/zinc/96/08/94/1168960894.db2.gz SKHBWXQRQACHCI-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001422919504 1172933918 /nfs/dbraw/zinc/93/39/18/1172933918.db2.gz PSEKFROQVGVZOT-ZBFHGGJFSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)CN(C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424698805 1173875548 /nfs/dbraw/zinc/87/55/48/1173875548.db2.gz HMACRPPJQRMDSS-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424698805 1173875551 /nfs/dbraw/zinc/87/55/51/1173875551.db2.gz HMACRPPJQRMDSS-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438730882 1180800301 /nfs/dbraw/zinc/80/03/01/1180800301.db2.gz FQBNSBAHEWQOMS-DZGCQCFKSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001406176832 1164494200 /nfs/dbraw/zinc/49/42/00/1164494200.db2.gz FNMSPAAVPRNGCW-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332012952 1149808101 /nfs/dbraw/zinc/80/81/01/1149808101.db2.gz HHTSILRSBBYXEU-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907738 790298354 /nfs/dbraw/zinc/29/83/54/790298354.db2.gz WFBOSXYORUAZOG-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907738 790298358 /nfs/dbraw/zinc/29/83/58/790298358.db2.gz WFBOSXYORUAZOG-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907738 790298360 /nfs/dbraw/zinc/29/83/60/790298360.db2.gz WFBOSXYORUAZOG-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106223094 782537831 /nfs/dbraw/zinc/53/78/31/782537831.db2.gz AIBYMUBVXKZRJB-BZUAXINKSA-N 2 1 318.465 2.381 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229219 782731162 /nfs/dbraw/zinc/73/11/62/782731162.db2.gz HSDUSSNCDFQPKV-IAGOWNOFSA-N 2 1 321.509 2.347 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C#N)c2)[C@H](C)C1 ZINC001333360065 1150039390 /nfs/dbraw/zinc/03/93/90/1150039390.db2.gz IKBKGLLQSLOZDS-CRAIPNDOSA-N 2 1 316.449 2.180 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234372 782789027 /nfs/dbraw/zinc/78/90/27/782789027.db2.gz IUKMJZYCOZIUFF-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234372 782789033 /nfs/dbraw/zinc/78/90/33/782789033.db2.gz IUKMJZYCOZIUFF-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099234372 782789040 /nfs/dbraw/zinc/78/90/40/782789040.db2.gz IUKMJZYCOZIUFF-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748122 782914293 /nfs/dbraw/zinc/91/42/93/782914293.db2.gz KRZQGYOKRSZNBV-BZUAXINKSA-N 2 1 318.465 2.239 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430192 783101525 /nfs/dbraw/zinc/10/15/25/783101525.db2.gz JKWDFGMARRGJGP-MRXNPFEDSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157314 /nfs/dbraw/zinc/15/73/14/783157314.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157320 /nfs/dbraw/zinc/15/73/20/783157320.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492245 783157326 /nfs/dbraw/zinc/15/73/26/783157326.db2.gz GCJBJVCLOGZUNB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159578 /nfs/dbraw/zinc/15/95/78/783159578.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159583 /nfs/dbraw/zinc/15/95/83/783159583.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493203 783159586 /nfs/dbraw/zinc/15/95/86/783159586.db2.gz UVRFGJOUWAPGNC-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050041 790418235 /nfs/dbraw/zinc/41/82/35/790418235.db2.gz HEBKWNOKVWPPGJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050041 790418245 /nfs/dbraw/zinc/41/82/45/790418245.db2.gz HEBKWNOKVWPPGJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050041 790418254 /nfs/dbraw/zinc/41/82/54/790418254.db2.gz HEBKWNOKVWPPGJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167235899 776787825 /nfs/dbraw/zinc/78/78/25/776787825.db2.gz CIQILLOAXKLDAU-UHFFFAOYSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294671 776954328 /nfs/dbraw/zinc/95/43/28/776954328.db2.gz XERMMINVXZZEBS-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461827 790671149 /nfs/dbraw/zinc/67/11/49/790671149.db2.gz IBZXWVMQHHDTTG-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636126 779388180 /nfs/dbraw/zinc/38/81/80/779388180.db2.gz BDJPPJUAVAPILH-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636126 779388186 /nfs/dbraw/zinc/38/81/86/779388186.db2.gz BDJPPJUAVAPILH-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636126 779388188 /nfs/dbraw/zinc/38/81/88/779388188.db2.gz BDJPPJUAVAPILH-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064627 779665829 /nfs/dbraw/zinc/66/58/29/779665829.db2.gz NHZYQMSVQYOVNY-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985469917 779852548 /nfs/dbraw/zinc/85/25/48/779852548.db2.gz LAYZJINSPZDSGS-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985469917 779852555 /nfs/dbraw/zinc/85/25/55/779852555.db2.gz LAYZJINSPZDSGS-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985469917 779852564 /nfs/dbraw/zinc/85/25/64/779852564.db2.gz LAYZJINSPZDSGS-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323395 779952072 /nfs/dbraw/zinc/95/20/72/779952072.db2.gz NDIWDDHPTYCXGA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088429959 780114092 /nfs/dbraw/zinc/11/40/92/780114092.db2.gz DZGSEVHANPTTMP-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617001 780624315 /nfs/dbraw/zinc/62/43/15/780624315.db2.gz UVTWBUWWVMJVGO-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617001 780624317 /nfs/dbraw/zinc/62/43/17/780624317.db2.gz UVTWBUWWVMJVGO-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617001 780624321 /nfs/dbraw/zinc/62/43/21/780624321.db2.gz UVTWBUWWVMJVGO-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335250 780852010 /nfs/dbraw/zinc/85/20/10/780852010.db2.gz DMUXUTNFNYYAML-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671271 783341851 /nfs/dbraw/zinc/34/18/51/783341851.db2.gz NBGVAKKPXLMJLC-KRWDZBQOSA-N 2 1 324.428 2.188 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369233 783442089 /nfs/dbraw/zinc/44/20/89/783442089.db2.gz XRHNPQRMSBPJMQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948369233 783442095 /nfs/dbraw/zinc/44/20/95/783442095.db2.gz XRHNPQRMSBPJMQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948369233 783442102 /nfs/dbraw/zinc/44/21/02/783442102.db2.gz XRHNPQRMSBPJMQ-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948620263 783532598 /nfs/dbraw/zinc/53/25/98/783532598.db2.gz CLCIPFUELQYASI-KRWDZBQOSA-N 2 1 324.428 2.284 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918419 784213059 /nfs/dbraw/zinc/21/30/59/784213059.db2.gz CMINIVPTMDUKAN-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918419 784213062 /nfs/dbraw/zinc/21/30/62/784213062.db2.gz CMINIVPTMDUKAN-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918419 784213070 /nfs/dbraw/zinc/21/30/70/784213070.db2.gz CMINIVPTMDUKAN-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330507 784293122 /nfs/dbraw/zinc/29/31/22/784293122.db2.gz AAYWSXCKCKOBDZ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086105460 784408994 /nfs/dbraw/zinc/40/89/94/784408994.db2.gz OOLVDZBXWMXNQV-YESZJQIVSA-N 2 1 307.482 2.025 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968782666 784587235 /nfs/dbraw/zinc/58/72/35/784587235.db2.gz XWHNFBIALMQPLS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968782666 784587240 /nfs/dbraw/zinc/58/72/40/784587240.db2.gz XWHNFBIALMQPLS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968782666 784587247 /nfs/dbraw/zinc/58/72/47/784587247.db2.gz XWHNFBIALMQPLS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855815 784620742 /nfs/dbraw/zinc/62/07/42/784620742.db2.gz AQIYTSONVZAWCD-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855815 784620748 /nfs/dbraw/zinc/62/07/48/784620748.db2.gz AQIYTSONVZAWCD-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882156 784635209 /nfs/dbraw/zinc/63/52/09/784635209.db2.gz IPIJGWQFCHTNTO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882156 784635215 /nfs/dbraw/zinc/63/52/15/784635215.db2.gz IPIJGWQFCHTNTO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882156 784635221 /nfs/dbraw/zinc/63/52/21/784635221.db2.gz IPIJGWQFCHTNTO-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237536 791089262 /nfs/dbraw/zinc/08/92/62/791089262.db2.gz QSQLXEVGUZNRKF-DLBZAZTESA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704264 785495569 /nfs/dbraw/zinc/49/55/69/785495569.db2.gz GKMOEAGAGGOWPM-JZXOWHBKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654118 785976702 /nfs/dbraw/zinc/97/67/02/785976702.db2.gz XHTNTJJYQMAOQY-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717610 785995370 /nfs/dbraw/zinc/99/53/70/785995370.db2.gz YFNDRUGEMQPEQM-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717610 785995377 /nfs/dbraw/zinc/99/53/77/785995377.db2.gz YFNDRUGEMQPEQM-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717610 785995380 /nfs/dbraw/zinc/99/53/80/785995380.db2.gz YFNDRUGEMQPEQM-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976104 786117802 /nfs/dbraw/zinc/11/78/02/786117802.db2.gz ROXDZDUELCVGCL-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976104 786117805 /nfs/dbraw/zinc/11/78/05/786117805.db2.gz ROXDZDUELCVGCL-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976104 786117808 /nfs/dbraw/zinc/11/78/08/786117808.db2.gz ROXDZDUELCVGCL-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113343763 786536067 /nfs/dbraw/zinc/53/60/67/786536067.db2.gz CEMKSAOPGHGQKJ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113343763 786536069 /nfs/dbraw/zinc/53/60/69/786536069.db2.gz CEMKSAOPGHGQKJ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014698859 786711990 /nfs/dbraw/zinc/71/19/90/786711990.db2.gz BLAWVBGPOPOTSR-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698859 786711998 /nfs/dbraw/zinc/71/19/98/786711998.db2.gz BLAWVBGPOPOTSR-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698859 786712006 /nfs/dbraw/zinc/71/20/06/786712006.db2.gz BLAWVBGPOPOTSR-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129770925 787246767 /nfs/dbraw/zinc/24/67/67/787246767.db2.gz NVYUJJDWUYKFNH-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCCC1 ZINC001129770925 787246770 /nfs/dbraw/zinc/24/67/70/787246770.db2.gz NVYUJJDWUYKFNH-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101439 787505500 /nfs/dbraw/zinc/50/55/00/787505500.db2.gz WBFVLHWZAHVLIZ-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096605011 787755202 /nfs/dbraw/zinc/75/52/02/787755202.db2.gz VFZUXLCGJUZCIA-SQNIBIBYSA-N 2 1 313.445 2.269 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111593 787935562 /nfs/dbraw/zinc/93/55/62/787935562.db2.gz TYOXCJSZGGIQFB-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111593 787935567 /nfs/dbraw/zinc/93/55/67/787935567.db2.gz TYOXCJSZGGIQFB-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111593 787935577 /nfs/dbraw/zinc/93/55/77/787935577.db2.gz TYOXCJSZGGIQFB-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111592 787936262 /nfs/dbraw/zinc/93/62/62/787936262.db2.gz TYOXCJSZGGIQFB-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111592 787936268 /nfs/dbraw/zinc/93/62/68/787936268.db2.gz TYOXCJSZGGIQFB-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111592 787936274 /nfs/dbraw/zinc/93/62/74/787936274.db2.gz TYOXCJSZGGIQFB-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365785 788041918 /nfs/dbraw/zinc/04/19/18/788041918.db2.gz PZGUEFSRNJQVPP-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365785 788041925 /nfs/dbraw/zinc/04/19/25/788041925.db2.gz PZGUEFSRNJQVPP-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365785 788041933 /nfs/dbraw/zinc/04/19/33/788041933.db2.gz PZGUEFSRNJQVPP-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132424279 788063049 /nfs/dbraw/zinc/06/30/49/788063049.db2.gz DQMJEENEEDXUKZ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406020 788097133 /nfs/dbraw/zinc/09/71/33/788097133.db2.gz UFWWTLOMHPSUJM-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097406020 788097143 /nfs/dbraw/zinc/09/71/43/788097143.db2.gz UFWWTLOMHPSUJM-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493996 788104644 /nfs/dbraw/zinc/10/46/44/788104644.db2.gz OYCUOGZDJDAMAD-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639383 788156572 /nfs/dbraw/zinc/15/65/72/788156572.db2.gz RIUSBDZVOLMRPQ-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132889240 788220014 /nfs/dbraw/zinc/22/00/14/788220014.db2.gz YPAUFWRQDFNDRQ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000619 788248807 /nfs/dbraw/zinc/24/88/07/788248807.db2.gz FDFNCIIZSHENTF-MRXNPFEDSA-N 2 1 320.481 2.430 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600046 789803498 /nfs/dbraw/zinc/80/34/98/789803498.db2.gz FERLHGRTXHXIID-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651457 789842043 /nfs/dbraw/zinc/84/20/43/789842043.db2.gz IWBPXWJZUPLNQF-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071689832 789867350 /nfs/dbraw/zinc/86/73/50/789867350.db2.gz QIIFLEJOOLZYCE-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001071689832 789867358 /nfs/dbraw/zinc/86/73/58/789867358.db2.gz QIIFLEJOOLZYCE-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794782 789922310 /nfs/dbraw/zinc/92/23/10/789922310.db2.gz FNIWJIAQYGFBFR-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957594 789987039 /nfs/dbraw/zinc/98/70/39/789987039.db2.gz KVFUHWHPLNNBJO-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398054520 790242791 /nfs/dbraw/zinc/24/27/91/790242791.db2.gz ZBXLVBVBKGEHTF-JZXOWHBKSA-N 2 1 301.434 2.415 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398054520 790242794 /nfs/dbraw/zinc/24/27/94/790242794.db2.gz ZBXLVBVBKGEHTF-JZXOWHBKSA-N 2 1 301.434 2.415 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725725 791606934 /nfs/dbraw/zinc/60/69/34/791606934.db2.gz YZFQKLOYLHTSPT-NVXWUHKLSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907878 791846231 /nfs/dbraw/zinc/84/62/31/791846231.db2.gz GERCJXKYCZXAJH-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938421 791856036 /nfs/dbraw/zinc/85/60/36/791856036.db2.gz PWYOTCWWCGSYGN-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942421 791857854 /nfs/dbraw/zinc/85/78/54/791857854.db2.gz QOBMXEGCTFJFSP-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834721 791958021 /nfs/dbraw/zinc/95/80/21/791958021.db2.gz BIYGKEHAORHBGL-BQFCYCMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834721 791958026 /nfs/dbraw/zinc/95/80/26/791958026.db2.gz BIYGKEHAORHBGL-BQFCYCMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834721 791958034 /nfs/dbraw/zinc/95/80/34/791958034.db2.gz BIYGKEHAORHBGL-BQFCYCMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001101551482 793226611 /nfs/dbraw/zinc/22/66/11/793226611.db2.gz NJBXPFYMMUTODD-UHFFFAOYSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312793 793569164 /nfs/dbraw/zinc/56/91/64/793569164.db2.gz OBURJKHFGRBONV-JFIYKMOQSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434023 793613733 /nfs/dbraw/zinc/61/37/33/793613733.db2.gz LLLYHWMRVQSPHE-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977192 793854093 /nfs/dbraw/zinc/85/40/93/793854093.db2.gz QCSDEULYTWIVEB-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977192 793854102 /nfs/dbraw/zinc/85/41/02/793854102.db2.gz QCSDEULYTWIVEB-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977192 793854107 /nfs/dbraw/zinc/85/41/07/793854107.db2.gz QCSDEULYTWIVEB-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374297 794062630 /nfs/dbraw/zinc/06/26/30/794062630.db2.gz BXJKLMCSPQDLJL-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782249 794479078 /nfs/dbraw/zinc/47/90/78/794479078.db2.gz AMCHFXIRRFGUDA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782249 794479086 /nfs/dbraw/zinc/47/90/86/794479086.db2.gz AMCHFXIRRFGUDA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782249 794479089 /nfs/dbraw/zinc/47/90/89/794479089.db2.gz AMCHFXIRRFGUDA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760106 794498947 /nfs/dbraw/zinc/49/89/47/794498947.db2.gz QAXPKXOPVGGYEG-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143628 794689396 /nfs/dbraw/zinc/68/93/96/794689396.db2.gz IGPRMOYYXPLVMX-LISAXSMJSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115805825 794926509 /nfs/dbraw/zinc/92/65/09/794926509.db2.gz HUDCHBHLGOWSRU-UHFFFAOYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120429830 795458276 /nfs/dbraw/zinc/45/82/76/795458276.db2.gz BUGFYZPNHHLRII-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470995 795467638 /nfs/dbraw/zinc/46/76/38/795467638.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470995 795467641 /nfs/dbraw/zinc/46/76/41/795467641.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470995 795467642 /nfs/dbraw/zinc/46/76/42/795467642.db2.gz VEPGDOZPGAOTPK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256466 795840254 /nfs/dbraw/zinc/84/02/54/795840254.db2.gz XBGDNIWWLMUZED-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609534 796093383 /nfs/dbraw/zinc/09/33/83/796093383.db2.gz OUPITGWVZGSFNU-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168803 796201024 /nfs/dbraw/zinc/20/10/24/796201024.db2.gz JEVXOCVXOJQMAS-DLBZAZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973635 796431108 /nfs/dbraw/zinc/43/11/08/796431108.db2.gz LOLHAKAPWONHEH-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857458 796590487 /nfs/dbraw/zinc/59/04/87/796590487.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857458 796590490 /nfs/dbraw/zinc/59/04/90/796590490.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857458 796590497 /nfs/dbraw/zinc/59/04/97/796590497.db2.gz MWCWCECSOOFPKF-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568986 796681980 /nfs/dbraw/zinc/68/19/80/796681980.db2.gz WCNJSDYQAAIQMY-BHYGNILZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568986 796681982 /nfs/dbraw/zinc/68/19/82/796681982.db2.gz WCNJSDYQAAIQMY-BHYGNILZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161219521 796693658 /nfs/dbraw/zinc/69/36/58/796693658.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219521 796693661 /nfs/dbraw/zinc/69/36/61/796693661.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161219521 796693662 /nfs/dbraw/zinc/69/36/62/796693662.db2.gz JBCUGBBDDVULFO-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190655176 797049515 /nfs/dbraw/zinc/04/95/15/797049515.db2.gz OJZCMHKCHSNTFV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655176 797049519 /nfs/dbraw/zinc/04/95/19/797049519.db2.gz OJZCMHKCHSNTFV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190655176 797049525 /nfs/dbraw/zinc/04/95/25/797049525.db2.gz OJZCMHKCHSNTFV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655135 797049922 /nfs/dbraw/zinc/04/99/22/797049922.db2.gz NSIFHERZXWDKNJ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655135 797049928 /nfs/dbraw/zinc/04/99/28/797049928.db2.gz NSIFHERZXWDKNJ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923260 797285348 /nfs/dbraw/zinc/28/53/48/797285348.db2.gz RUXLIRQIBHGJLT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923260 797285354 /nfs/dbraw/zinc/28/53/54/797285354.db2.gz RUXLIRQIBHGJLT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923260 797285358 /nfs/dbraw/zinc/28/53/58/797285358.db2.gz RUXLIRQIBHGJLT-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316832 797360911 /nfs/dbraw/zinc/36/09/11/797360911.db2.gz QEAVAJWVUZGIKR-GJZGRUSLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316832 797360917 /nfs/dbraw/zinc/36/09/17/797360917.db2.gz QEAVAJWVUZGIKR-GJZGRUSLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819359 797403051 /nfs/dbraw/zinc/40/30/51/797403051.db2.gz XZVZTXKDUWXPLH-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819359 797403055 /nfs/dbraw/zinc/40/30/55/797403055.db2.gz XZVZTXKDUWXPLH-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193696059 797614470 /nfs/dbraw/zinc/61/44/70/797614470.db2.gz PNYHMSLGHOCBBR-HIFRSBDPSA-N 2 1 304.438 2.148 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227972 797696103 /nfs/dbraw/zinc/69/61/03/797696103.db2.gz OURDTLIYAGPEDX-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274396 797697312 /nfs/dbraw/zinc/69/73/12/797697312.db2.gz HISMTPFREGYZMK-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274396 797697316 /nfs/dbraw/zinc/69/73/16/797697316.db2.gz HISMTPFREGYZMK-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274394 797697461 /nfs/dbraw/zinc/69/74/61/797697461.db2.gz HISMTPFREGYZMK-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274394 797697464 /nfs/dbraw/zinc/69/74/64/797697464.db2.gz HISMTPFREGYZMK-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266363 797702869 /nfs/dbraw/zinc/70/28/69/797702869.db2.gz QBTVRENUFYPQFR-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428380 797998743 /nfs/dbraw/zinc/99/87/43/797998743.db2.gz MDILEYFGNKQWGB-CQSZACIVSA-N 2 1 304.438 2.164 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655836 798088196 /nfs/dbraw/zinc/08/81/96/798088196.db2.gz KLTRQJLXNMIMKA-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C)CC1 ZINC001157091844 798142249 /nfs/dbraw/zinc/14/22/49/798142249.db2.gz FJAWAFVODCPCOJ-QGZVFWFLSA-N 2 1 319.493 2.124 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136294 798283423 /nfs/dbraw/zinc/28/34/23/798283423.db2.gz OEVLQCSVPBVKHT-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221682 798295715 /nfs/dbraw/zinc/29/57/15/798295715.db2.gz MWWZKCCEMMFPMU-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200643315 798659921 /nfs/dbraw/zinc/65/99/21/798659921.db2.gz BKMDKGYNVVKLNF-HNNXBMFYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001201117798 798713276 /nfs/dbraw/zinc/71/32/76/798713276.db2.gz DPOTWHVKEIVHAF-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219352 798812503 /nfs/dbraw/zinc/81/25/03/798812503.db2.gz FGGXOIANVPDLAP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219352 798812506 /nfs/dbraw/zinc/81/25/06/798812506.db2.gz FGGXOIANVPDLAP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219352 798812511 /nfs/dbraw/zinc/81/25/11/798812511.db2.gz FGGXOIANVPDLAP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968554 /nfs/dbraw/zinc/96/85/54/798968554.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968559 /nfs/dbraw/zinc/96/85/59/798968559.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924470 798968564 /nfs/dbraw/zinc/96/85/64/798968564.db2.gz DNEGJFWWAWABLN-CALCHBBNSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271812 799691848 /nfs/dbraw/zinc/69/18/48/799691848.db2.gz OCVNNNWEBJOTHU-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569442 799746942 /nfs/dbraw/zinc/74/69/42/799746942.db2.gz ZPILAPCUUJLTPM-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687507 799922339 /nfs/dbraw/zinc/92/23/39/799922339.db2.gz UIAXKKQWJSSTKX-QGZVFWFLSA-N 2 1 313.461 2.261 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699591 799925098 /nfs/dbraw/zinc/92/50/98/799925098.db2.gz RTOCBECDFAINJD-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203640460 800097189 /nfs/dbraw/zinc/09/71/89/800097189.db2.gz CDLQZJUTTHUEKI-KBPBESRZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069527 800167861 /nfs/dbraw/zinc/16/78/61/800167861.db2.gz QTNHUGKGSXNFDX-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069527 800167863 /nfs/dbraw/zinc/16/78/63/800167863.db2.gz QTNHUGKGSXNFDX-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519128 800367607 /nfs/dbraw/zinc/36/76/07/800367607.db2.gz WOGPMDDHUUMARC-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001205562276 800376729 /nfs/dbraw/zinc/37/67/29/800376729.db2.gz SGIUDVMXEQWRIU-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCN(CC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1)C(=O)OCC ZINC001206579943 800558046 /nfs/dbraw/zinc/55/80/46/800558046.db2.gz BKUUPWYBVFFRAU-MRXNPFEDSA-N 2 1 311.470 2.483 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790439 800833777 /nfs/dbraw/zinc/83/37/77/800833777.db2.gz UEQYZLPSLADTIN-GDBMZVCRSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790439 800833785 /nfs/dbraw/zinc/83/37/85/800833785.db2.gz UEQYZLPSLADTIN-GDBMZVCRSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790439 800833792 /nfs/dbraw/zinc/83/37/92/800833792.db2.gz UEQYZLPSLADTIN-GDBMZVCRSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164142 800855908 /nfs/dbraw/zinc/85/59/08/800855908.db2.gz LMRWYKSIKNYYQM-BDXSIMOUSA-N 2 1 319.493 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335516 800957726 /nfs/dbraw/zinc/95/77/26/800957726.db2.gz UYLRHKQFCQNASP-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C/CC)C1 ZINC001208352625 800962179 /nfs/dbraw/zinc/96/21/79/800962179.db2.gz JYTMYDXEKSMHPO-ZBKUBXTQSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC/C=C/CC)C1 ZINC001208352625 800962185 /nfs/dbraw/zinc/96/21/85/800962185.db2.gz JYTMYDXEKSMHPO-ZBKUBXTQSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210181974 801347123 /nfs/dbraw/zinc/34/71/23/801347123.db2.gz HDUKCQGYZFPYLA-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210235464 801355594 /nfs/dbraw/zinc/35/55/94/801355594.db2.gz BDLUABMNTLLPKC-QZTJIDSGSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230284756 801381497 /nfs/dbraw/zinc/38/14/97/801381497.db2.gz SZJUQPBOECQPHK-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214661906 801745947 /nfs/dbraw/zinc/74/59/47/801745947.db2.gz JZFAZDKDCHMPPZ-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214888836 801773074 /nfs/dbraw/zinc/77/30/74/801773074.db2.gz DDYBHVIVAWOFNP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001221594796 802595000 /nfs/dbraw/zinc/59/50/00/802595000.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221594796 802595002 /nfs/dbraw/zinc/59/50/02/802595002.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221594796 802595006 /nfs/dbraw/zinc/59/50/06/802595006.db2.gz CJHNGRDRBWZQOL-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027499 802634170 /nfs/dbraw/zinc/63/41/70/802634170.db2.gz YGDLNKONFXOMSB-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN(CC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1)C(=O)OCC ZINC001222264907 802663503 /nfs/dbraw/zinc/66/35/03/802663503.db2.gz KYKBSGOLCNYSDP-KRWDZBQOSA-N 2 1 309.454 2.097 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1)C(=O)OCC ZINC001222264907 802663507 /nfs/dbraw/zinc/66/35/07/802663507.db2.gz KYKBSGOLCNYSDP-KRWDZBQOSA-N 2 1 309.454 2.097 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001222891552 802747839 /nfs/dbraw/zinc/74/78/39/802747839.db2.gz DWGBJMLGHBEOKE-NJAFHUGGSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223984789 802827697 /nfs/dbraw/zinc/82/76/97/802827697.db2.gz ISAHNBFLWXOOIQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C[NH+]1CCC(CO[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC001224454651 802871465 /nfs/dbraw/zinc/87/14/65/802871465.db2.gz QJPLBGNTJAEMLG-LJQANCHMSA-N 2 1 313.445 2.491 20 30 DEEDMP C[NH+]1CCC(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC001224454651 802871470 /nfs/dbraw/zinc/87/14/70/802871470.db2.gz QJPLBGNTJAEMLG-LJQANCHMSA-N 2 1 313.445 2.491 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226823998 803165318 /nfs/dbraw/zinc/16/53/18/803165318.db2.gz IAYYNHUXDQITHG-HUUCEWRRSA-N 2 1 313.873 2.240 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001228932255 803432262 /nfs/dbraw/zinc/43/22/62/803432262.db2.gz LCKOAAODQQMQTE-KURKYZTESA-N 2 1 319.493 2.290 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001330836312 1149311548 /nfs/dbraw/zinc/31/15/48/1149311548.db2.gz NRLLLUOMMJOBRK-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001330836312 1149311554 /nfs/dbraw/zinc/31/15/54/1149311554.db2.gz NRLLLUOMMJOBRK-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001501229629 1059394382 /nfs/dbraw/zinc/39/43/82/1059394382.db2.gz BTRXDQSZCLQZTK-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501404626 1059494389 /nfs/dbraw/zinc/49/43/89/1059494389.db2.gz SKTQUBSHYSYOLG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404626 1059494397 /nfs/dbraw/zinc/49/43/97/1059494397.db2.gz SKTQUBSHYSYOLG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404626 1059494406 /nfs/dbraw/zinc/49/44/06/1059494406.db2.gz SKTQUBSHYSYOLG-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001501670097 1059624572 /nfs/dbraw/zinc/62/45/72/1059624572.db2.gz HIUVTKXUICPXFP-GOSISDBHSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001501670097 1059624581 /nfs/dbraw/zinc/62/45/81/1059624581.db2.gz HIUVTKXUICPXFP-GOSISDBHSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001501670097 1059624586 /nfs/dbraw/zinc/62/45/86/1059624586.db2.gz HIUVTKXUICPXFP-GOSISDBHSA-N 2 1 315.461 2.262 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC)CC1 ZINC001501698157 1059649366 /nfs/dbraw/zinc/64/93/66/1059649366.db2.gz GKAWJEUQSPLXMC-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC)CC1 ZINC001501698157 1059649386 /nfs/dbraw/zinc/64/93/86/1059649386.db2.gz GKAWJEUQSPLXMC-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001502360577 1060073238 /nfs/dbraw/zinc/07/32/38/1060073238.db2.gz UOLGMEKDHAEAME-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001502360577 1060073260 /nfs/dbraw/zinc/07/32/60/1060073260.db2.gz UOLGMEKDHAEAME-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001502967169 1060409310 /nfs/dbraw/zinc/40/93/10/1060409310.db2.gz HLKYUXJHDSJLBW-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001505400297 1060534832 /nfs/dbraw/zinc/53/48/32/1060534832.db2.gz KEOSONOLLJWLPL-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001505400297 1060534853 /nfs/dbraw/zinc/53/48/53/1060534853.db2.gz KEOSONOLLJWLPL-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001505400297 1060534873 /nfs/dbraw/zinc/53/48/73/1060534873.db2.gz KEOSONOLLJWLPL-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001479302038 1061377658 /nfs/dbraw/zinc/37/76/58/1061377658.db2.gz GWBIWXAXSMWGLG-VVLHAWIVSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001479478968 1061471100 /nfs/dbraw/zinc/47/11/00/1061471100.db2.gz GZIRUPUXGRTYBX-JKSUJKDBSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506681836 1062274270 /nfs/dbraw/zinc/27/42/70/1062274270.db2.gz JXXYSAZDWVWUME-MRXNPFEDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506681836 1062274280 /nfs/dbraw/zinc/27/42/80/1062274280.db2.gz JXXYSAZDWVWUME-MRXNPFEDSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480316450 1062637561 /nfs/dbraw/zinc/63/75/61/1062637561.db2.gz OERRYOCRNCHJDD-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480316450 1062637574 /nfs/dbraw/zinc/63/75/74/1062637574.db2.gz OERRYOCRNCHJDD-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507016320 1062679461 /nfs/dbraw/zinc/67/94/61/1062679461.db2.gz WQXOJOJSVCDMOS-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480362789 1062715105 /nfs/dbraw/zinc/71/51/05/1062715105.db2.gz MVQJVZPMOKJDAM-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480372466 1062732255 /nfs/dbraw/zinc/73/22/55/1062732255.db2.gz KWWUTZWZIXLRHV-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372466 1062732275 /nfs/dbraw/zinc/73/22/75/1062732275.db2.gz KWWUTZWZIXLRHV-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372466 1062732293 /nfs/dbraw/zinc/73/22/93/1062732293.db2.gz KWWUTZWZIXLRHV-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001327271663 1148509502 /nfs/dbraw/zinc/50/95/02/1148509502.db2.gz RWXWGQWQLAWPOE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001507324601 1063099009 /nfs/dbraw/zinc/09/90/09/1063099009.db2.gz KSNJZIDNHDYZQG-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001480728946 1063261811 /nfs/dbraw/zinc/26/18/11/1063261811.db2.gz BRDGHSDZAWOYCK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001480728946 1063261833 /nfs/dbraw/zinc/26/18/33/1063261833.db2.gz BRDGHSDZAWOYCK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)C)C1 ZINC001480728946 1063261850 /nfs/dbraw/zinc/26/18/50/1063261850.db2.gz BRDGHSDZAWOYCK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)C)C1 ZINC001480728946 1063261864 /nfs/dbraw/zinc/26/18/64/1063261864.db2.gz BRDGHSDZAWOYCK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001567445477 1064201922 /nfs/dbraw/zinc/20/19/22/1064201922.db2.gz ZZQPUMIOZISHRA-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001567445477 1064201931 /nfs/dbraw/zinc/20/19/31/1064201931.db2.gz ZZQPUMIOZISHRA-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001567445477 1064201941 /nfs/dbraw/zinc/20/19/41/1064201941.db2.gz ZZQPUMIOZISHRA-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567702632 1064357459 /nfs/dbraw/zinc/35/74/59/1064357459.db2.gz HBZVMMKVJOYEGE-KRWDZBQOSA-N 2 1 319.493 2.267 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567944743 1064551168 /nfs/dbraw/zinc/55/11/68/1064551168.db2.gz ACXKCMJVVBEDFU-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001568107564 1064649958 /nfs/dbraw/zinc/64/99/58/1064649958.db2.gz HEIWBCGTOYERMA-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001568252590 1064730013 /nfs/dbraw/zinc/73/00/13/1064730013.db2.gz MNBXTSFPWNCWGU-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001495521430 1064962861 /nfs/dbraw/zinc/96/28/61/1064962861.db2.gz VCXJJZRWPUZYAB-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001569123262 1065303129 /nfs/dbraw/zinc/30/31/29/1065303129.db2.gz SBVZUKFCFJBXNP-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001569466503 1065523631 /nfs/dbraw/zinc/52/36/31/1065523631.db2.gz BIJZKIFWPFXPQZ-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001569466503 1065523645 /nfs/dbraw/zinc/52/36/45/1065523645.db2.gz BIJZKIFWPFXPQZ-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001569466503 1065523655 /nfs/dbraw/zinc/52/36/55/1065523655.db2.gz BIJZKIFWPFXPQZ-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001569695879 1065676931 /nfs/dbraw/zinc/67/69/31/1065676931.db2.gz UHOOKNMTMLPJEJ-IEBWSBKVSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001569711532 1065684169 /nfs/dbraw/zinc/68/41/69/1065684169.db2.gz DWLBTAFQQUGJST-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001569711532 1065684178 /nfs/dbraw/zinc/68/41/78/1065684178.db2.gz DWLBTAFQQUGJST-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001569711532 1065684187 /nfs/dbraw/zinc/68/41/87/1065684187.db2.gz DWLBTAFQQUGJST-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001570055028 1065904739 /nfs/dbraw/zinc/90/47/39/1065904739.db2.gz LUSSJNGRAUKKDC-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001498379669 1066667456 /nfs/dbraw/zinc/66/74/56/1066667456.db2.gz ATILBOQXRLMNAB-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001498379669 1066667459 /nfs/dbraw/zinc/66/74/59/1066667459.db2.gz ATILBOQXRLMNAB-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498379669 1066667463 /nfs/dbraw/zinc/66/74/63/1066667463.db2.gz ATILBOQXRLMNAB-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499573401 1067263246 /nfs/dbraw/zinc/26/32/46/1067263246.db2.gz DEJZDGPDMJJJJG-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@@H+](C[C@@H](CC)OC)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC001349700845 1078519665 /nfs/dbraw/zinc/51/96/65/1078519665.db2.gz SUGJYLSQLXIHOO-ZWKOTPCHSA-N 2 1 310.482 2.236 20 30 DEEDMP C#CC[N@H+](C[C@@H](CC)OC)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC001349700845 1078519672 /nfs/dbraw/zinc/51/96/72/1078519672.db2.gz SUGJYLSQLXIHOO-ZWKOTPCHSA-N 2 1 310.482 2.236 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267053376 1078531581 /nfs/dbraw/zinc/53/15/81/1078531581.db2.gz NPSJKUBPFFUAPT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483466641 1078551695 /nfs/dbraw/zinc/55/16/95/1078551695.db2.gz OFDDAQRMPORXMW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585849 1078614444 /nfs/dbraw/zinc/61/44/44/1078614444.db2.gz DJFDENMWNCQRLS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267174070 1078638023 /nfs/dbraw/zinc/63/80/23/1078638023.db2.gz VRUVRFJUNRTDPF-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570689356 1068069134 /nfs/dbraw/zinc/06/91/34/1068069134.db2.gz WGNAVYXTPXSESY-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267181742 1078645222 /nfs/dbraw/zinc/64/52/22/1078645222.db2.gz NBHXLRBAWRGYAT-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267181742 1078645226 /nfs/dbraw/zinc/64/52/26/1078645226.db2.gz NBHXLRBAWRGYAT-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267181742 1078645243 /nfs/dbraw/zinc/64/52/43/1078645243.db2.gz NBHXLRBAWRGYAT-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001570847114 1068138927 /nfs/dbraw/zinc/13/89/27/1068138927.db2.gz CHSNSRLZKHTTQX-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267200503 1078660666 /nfs/dbraw/zinc/66/06/66/1078660666.db2.gz CSAOXTRZSYYHCD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001571022040 1068173800 /nfs/dbraw/zinc/17/38/00/1068173800.db2.gz LEEGZUUBKPJDNM-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001571053463 1068177500 /nfs/dbraw/zinc/17/75/00/1068177500.db2.gz NUYRDOXWWWQZPK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001571053463 1068177503 /nfs/dbraw/zinc/17/75/03/1068177503.db2.gz NUYRDOXWWWQZPK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001571053463 1068177507 /nfs/dbraw/zinc/17/75/07/1068177507.db2.gz NUYRDOXWWWQZPK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267216875 1078673181 /nfs/dbraw/zinc/67/31/81/1078673181.db2.gz SJBFXFCBDPXDOH-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001267218213 1078673811 /nfs/dbraw/zinc/67/38/11/1078673811.db2.gz ZUDPHJXKEVDDKW-UHFFFAOYSA-N 2 1 303.450 2.028 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001571539775 1068407428 /nfs/dbraw/zinc/40/74/28/1068407428.db2.gz GBVBLDHEDZCEKM-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001571666943 1068469736 /nfs/dbraw/zinc/46/97/36/1068469736.db2.gz ZLMWZBNYLKRMHG-UHFFFAOYSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001571666943 1068469739 /nfs/dbraw/zinc/46/97/39/1068469739.db2.gz ZLMWZBNYLKRMHG-UHFFFAOYSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001483688752 1078798171 /nfs/dbraw/zinc/79/81/71/1078798171.db2.gz QHDGKVGCMFFGPF-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001483688752 1078798172 /nfs/dbraw/zinc/79/81/72/1078798172.db2.gz QHDGKVGCMFFGPF-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001267512668 1078941405 /nfs/dbraw/zinc/94/14/05/1078941405.db2.gz QPJBUOGFEMJPMI-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C(C)C ZINC001267512668 1078941412 /nfs/dbraw/zinc/94/14/12/1078941412.db2.gz QPJBUOGFEMJPMI-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C(C)C ZINC001267512668 1078941415 /nfs/dbraw/zinc/94/14/15/1078941415.db2.gz QPJBUOGFEMJPMI-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267544329 1078973594 /nfs/dbraw/zinc/97/35/94/1078973594.db2.gz KCVREQRADKDAIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267544329 1078973598 /nfs/dbraw/zinc/97/35/98/1078973598.db2.gz KCVREQRADKDAIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267544329 1078973605 /nfs/dbraw/zinc/97/36/05/1078973605.db2.gz KCVREQRADKDAIF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001483740688 1078974165 /nfs/dbraw/zinc/97/41/65/1078974165.db2.gz OCLJYCBDDQEXLV-MRXNPFEDSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001483743970 1078980285 /nfs/dbraw/zinc/98/02/85/1078980285.db2.gz JTRXRWQQOUTUPS-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572236 1079041813 /nfs/dbraw/zinc/04/18/13/1079041813.db2.gz XULQIEBTYWNWJO-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267572236 1079041820 /nfs/dbraw/zinc/04/18/20/1079041820.db2.gz XULQIEBTYWNWJO-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803081 1079130533 /nfs/dbraw/zinc/13/05/33/1079130533.db2.gz ZEWKODPSDBYBHV-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\CC ZINC001483932974 1079193684 /nfs/dbraw/zinc/19/36/84/1079193684.db2.gz BDIPHHPZQLZRJX-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\CC ZINC001483932974 1079193688 /nfs/dbraw/zinc/19/36/88/1079193688.db2.gz BDIPHHPZQLZRJX-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001483975522 1079221470 /nfs/dbraw/zinc/22/14/70/1079221470.db2.gz LVHLPRZGZGRHRP-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566743691 1074997886 /nfs/dbraw/zinc/99/78/86/1074997886.db2.gz PPBJJSHZDFZNIY-ZWKOTPCHSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484176137 1079346318 /nfs/dbraw/zinc/34/63/18/1079346318.db2.gz WBHVZUYCKRWNTA-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484176137 1079346322 /nfs/dbraw/zinc/34/63/22/1079346322.db2.gz WBHVZUYCKRWNTA-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001565872232 1075060761 /nfs/dbraw/zinc/06/07/61/1075060761.db2.gz JNLSEEUTQJXTER-QBPKDAKJSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566066996 1075223484 /nfs/dbraw/zinc/22/34/84/1075223484.db2.gz BETIVIOESXTBRV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001566089598 1075227671 /nfs/dbraw/zinc/22/76/71/1075227671.db2.gz HSORZKXKSRGIMQ-ZNMIVQPWSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001566089598 1075227674 /nfs/dbraw/zinc/22/76/74/1075227674.db2.gz HSORZKXKSRGIMQ-ZNMIVQPWSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566940658 1075394528 /nfs/dbraw/zinc/39/45/28/1075394528.db2.gz NAQSGMUQEHXOPA-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962884 1075401919 /nfs/dbraw/zinc/40/19/19/1075401919.db2.gz MWKHDHSDMCFDHE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267819092 1079514459 /nfs/dbraw/zinc/51/44/59/1079514459.db2.gz ASCBZAQACCSNDK-CVEARBPZSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001267974432 1079656979 /nfs/dbraw/zinc/65/69/79/1079656979.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001267974432 1079656980 /nfs/dbraw/zinc/65/69/80/1079656980.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001267974432 1079656983 /nfs/dbraw/zinc/65/69/83/1079656983.db2.gz YEKLEVWDWZVYMF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001484772233 1079787002 /nfs/dbraw/zinc/78/70/02/1079787002.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772233 1079787006 /nfs/dbraw/zinc/78/70/06/1079787006.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772233 1079787011 /nfs/dbraw/zinc/78/70/11/1079787011.db2.gz ORIKTOSKFUTHHR-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481495668 1079955575 /nfs/dbraw/zinc/95/55/75/1079955575.db2.gz CGVNSTNZKOJYAN-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481495668 1079955580 /nfs/dbraw/zinc/95/55/80/1079955580.db2.gz CGVNSTNZKOJYAN-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481495668 1079955585 /nfs/dbraw/zinc/95/55/85/1079955585.db2.gz CGVNSTNZKOJYAN-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001485254255 1080089055 /nfs/dbraw/zinc/08/90/55/1080089055.db2.gz ZDNVBNABUHMXIN-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011647 1080183257 /nfs/dbraw/zinc/18/32/57/1080183257.db2.gz HGLNJYMOFNBGQB-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011647 1080183260 /nfs/dbraw/zinc/18/32/60/1080183260.db2.gz HGLNJYMOFNBGQB-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011647 1080183262 /nfs/dbraw/zinc/18/32/62/1080183262.db2.gz HGLNJYMOFNBGQB-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001268225862 1080208549 /nfs/dbraw/zinc/20/85/49/1080208549.db2.gz PWCMBXNERVUWNE-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001268225862 1080208557 /nfs/dbraw/zinc/20/85/57/1080208557.db2.gz PWCMBXNERVUWNE-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001658524433 1080209449 /nfs/dbraw/zinc/20/94/49/1080209449.db2.gz WGIMBQPNVJIQQB-WDSOQIARSA-N 2 1 300.446 2.403 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001658524433 1080209457 /nfs/dbraw/zinc/20/94/57/1080209457.db2.gz WGIMBQPNVJIQQB-WDSOQIARSA-N 2 1 300.446 2.403 20 30 DEEDMP C=C[C@H](CO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001659536107 1080242592 /nfs/dbraw/zinc/24/25/92/1080242592.db2.gz MMTINEVHZXGKAD-LJQANCHMSA-N 2 1 302.462 2.468 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001268265559 1080245819 /nfs/dbraw/zinc/24/58/19/1080245819.db2.gz ABEKTIGFFKGWJA-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582218 1080314270 /nfs/dbraw/zinc/31/42/70/1080314270.db2.gz MXVNBXAIQCWXGB-HOTGVXAUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001660536996 1080352874 /nfs/dbraw/zinc/35/28/74/1080352874.db2.gz PUPQKOAWWONWFT-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001660775795 1080395233 /nfs/dbraw/zinc/39/52/33/1080395233.db2.gz GZSNDZRRHHULEL-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001485784868 1080432157 /nfs/dbraw/zinc/43/21/57/1080432157.db2.gz DVGQDLATYLRDPH-IAGOWNOFSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001661156183 1080448358 /nfs/dbraw/zinc/44/83/58/1080448358.db2.gz DNXIJIQDJFTWAF-XIRDDKMYSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001661598521 1080498688 /nfs/dbraw/zinc/49/86/88/1080498688.db2.gz YCHCOJBQUREPRH-NCOADZHNSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036658 1080551732 /nfs/dbraw/zinc/55/17/32/1080551732.db2.gz OPGZDXXLUBWHKL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001481900300 1080591093 /nfs/dbraw/zinc/59/10/93/1080591093.db2.gz SYUNKLWEFJWQEB-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001481913494 1080601684 /nfs/dbraw/zinc/60/16/84/1080601684.db2.gz XRWNUKXDLOFNJM-UHFFFAOYSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001663124210 1080706198 /nfs/dbraw/zinc/70/61/98/1080706198.db2.gz UDVUMZBRVZDSGZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001663124210 1080706207 /nfs/dbraw/zinc/70/62/07/1080706207.db2.gz UDVUMZBRVZDSGZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001663124210 1080706216 /nfs/dbraw/zinc/70/62/16/1080706216.db2.gz UDVUMZBRVZDSGZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329007 1080732019 /nfs/dbraw/zinc/73/20/19/1080732019.db2.gz FBHQZFWLYQEJKD-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329007 1080732027 /nfs/dbraw/zinc/73/20/27/1080732027.db2.gz FBHQZFWLYQEJKD-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329007 1080732033 /nfs/dbraw/zinc/73/20/33/1080732033.db2.gz FBHQZFWLYQEJKD-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001663587590 1080783425 /nfs/dbraw/zinc/78/34/25/1080783425.db2.gz NRUDWTQBCKHGRL-HOTGVXAUSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001663587590 1080783435 /nfs/dbraw/zinc/78/34/35/1080783435.db2.gz NRUDWTQBCKHGRL-HOTGVXAUSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001663727973 1080810322 /nfs/dbraw/zinc/81/03/22/1080810322.db2.gz VLQQSLVFRXEQLY-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001663727973 1080810333 /nfs/dbraw/zinc/81/03/33/1080810333.db2.gz VLQQSLVFRXEQLY-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001663727973 1080810344 /nfs/dbraw/zinc/81/03/44/1080810344.db2.gz VLQQSLVFRXEQLY-QGZVFWFLSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001664516738 1080919421 /nfs/dbraw/zinc/91/94/21/1080919421.db2.gz LEUWIZFAKQWOIA-UHFFFAOYSA-N 2 1 312.417 2.106 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001664677397 1080940236 /nfs/dbraw/zinc/94/02/36/1080940236.db2.gz ADYAVHMFAXAHAM-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001664677397 1080940242 /nfs/dbraw/zinc/94/02/42/1080940242.db2.gz ADYAVHMFAXAHAM-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001664677397 1080940250 /nfs/dbraw/zinc/94/02/50/1080940250.db2.gz ADYAVHMFAXAHAM-BZSNNMDCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001664683470 1080940445 /nfs/dbraw/zinc/94/04/45/1080940445.db2.gz JMDVYQRMYSOSCU-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664685512 1080942816 /nfs/dbraw/zinc/94/28/16/1080942816.db2.gz CFXHMEBZSIODMN-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664818268 1080966346 /nfs/dbraw/zinc/96/63/46/1080966346.db2.gz RKFXCOMRHKPMER-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818268 1080966352 /nfs/dbraw/zinc/96/63/52/1080966352.db2.gz RKFXCOMRHKPMER-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818268 1080966356 /nfs/dbraw/zinc/96/63/56/1080966356.db2.gz RKFXCOMRHKPMER-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001666214768 1081134484 /nfs/dbraw/zinc/13/44/84/1081134484.db2.gz PKNZHJXDYBHLCU-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001666759590 1081179022 /nfs/dbraw/zinc/17/90/22/1081179022.db2.gz CDVYYMCJKYRXBB-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001667262431 1081231578 /nfs/dbraw/zinc/23/15/78/1081231578.db2.gz KNEWBLZWRPMARP-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001482222464 1081259867 /nfs/dbraw/zinc/25/98/67/1081259867.db2.gz LRBKJSKSPAYODY-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001269533049 1081280956 /nfs/dbraw/zinc/28/09/56/1081280956.db2.gz NBYWFCNOYPWCAF-CVEARBPZSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001667738623 1081282787 /nfs/dbraw/zinc/28/27/87/1081282787.db2.gz OANMMDBMCOPWSU-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001269584836 1081297256 /nfs/dbraw/zinc/29/72/56/1081297256.db2.gz NEBAAKZAYRPYMW-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269859028 1081384507 /nfs/dbraw/zinc/38/45/07/1081384507.db2.gz KIDHGUZJIRACRA-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001270066423 1081441442 /nfs/dbraw/zinc/44/14/42/1081441442.db2.gz KFQPWINDAMKORB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001280163757 1081451235 /nfs/dbraw/zinc/45/12/35/1081451235.db2.gz KUEFRICRHUAWMP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)CCC=C ZINC001270222147 1081477156 /nfs/dbraw/zinc/47/71/56/1081477156.db2.gz QKHNUUQEMPAUGB-KSZLIROESA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)CCC=C ZINC001270222147 1081477158 /nfs/dbraw/zinc/47/71/58/1081477158.db2.gz QKHNUUQEMPAUGB-KSZLIROESA-N 2 1 317.477 2.019 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001669973881 1081486002 /nfs/dbraw/zinc/48/60/02/1081486002.db2.gz OASCKVFVYAGGMK-IAGOWNOFSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517583 1081541660 /nfs/dbraw/zinc/54/16/60/1081541660.db2.gz RDTMUDKZUGDFHL-HOCLYGCPSA-N 2 1 318.465 2.062 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001270728387 1081617018 /nfs/dbraw/zinc/61/70/18/1081617018.db2.gz VKSBYEUVJZTIAK-CRAIPNDOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001270728389 1081617197 /nfs/dbraw/zinc/61/71/97/1081617197.db2.gz VKSBYEUVJZTIAK-MAUKXSAKSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444528 1081714581 /nfs/dbraw/zinc/71/45/81/1081714581.db2.gz VJKOHFUMHYCNML-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001673079950 1081737562 /nfs/dbraw/zinc/73/75/62/1081737562.db2.gz VXFKDMXOBKDVKO-SFHVURJKSA-N 2 1 315.461 2.187 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271007184 1081873081 /nfs/dbraw/zinc/87/30/81/1081873081.db2.gz KITAVQDALPGEED-SJLPKXTDSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001279222996 1082238326 /nfs/dbraw/zinc/23/83/26/1082238326.db2.gz XFDIFMZGCUUUGB-BJWYYQGGSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001266663231 1082257571 /nfs/dbraw/zinc/25/75/71/1082257571.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663231 1082257575 /nfs/dbraw/zinc/25/75/75/1082257575.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001266663231 1082257580 /nfs/dbraw/zinc/25/75/80/1082257580.db2.gz MACCQBQKZYIJJC-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266845308 1082387658 /nfs/dbraw/zinc/38/76/58/1082387658.db2.gz WAUQCNUWJZEFAQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266845308 1082387665 /nfs/dbraw/zinc/38/76/65/1082387665.db2.gz WAUQCNUWJZEFAQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266845308 1082387672 /nfs/dbraw/zinc/38/76/72/1082387672.db2.gz WAUQCNUWJZEFAQ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266860214 1082404369 /nfs/dbraw/zinc/40/43/69/1082404369.db2.gz ZUJLGGWDVBSJPM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493237745 1083719773 /nfs/dbraw/zinc/71/97/73/1083719773.db2.gz SCEJEBBUWANTMP-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493237745 1083719776 /nfs/dbraw/zinc/71/97/76/1083719776.db2.gz SCEJEBBUWANTMP-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001277586741 1084046522 /nfs/dbraw/zinc/04/65/22/1084046522.db2.gz DQTKAVWOAINUFY-NVXWUHKLSA-N 2 1 318.465 2.060 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277702244 1084103012 /nfs/dbraw/zinc/10/30/12/1084103012.db2.gz JMTQYVPVSIJCAV-MSOLQXFVSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001277706926 1084104470 /nfs/dbraw/zinc/10/44/70/1084104470.db2.gz NJBXJUMBUZDLKB-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491225826 1084168789 /nfs/dbraw/zinc/16/87/89/1084168789.db2.gz JCSNWLUXXYHYGK-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491236925 1084174901 /nfs/dbraw/zinc/17/49/01/1084174901.db2.gz PXWDLULWVMBZBT-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CC[NH+](CCNC(=O)CC[N@H+](C)CC)C1CCCCCC1 ZINC001670976548 1084179861 /nfs/dbraw/zinc/17/98/61/1084179861.db2.gz CRIQZJQTHYSWEU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)CC[NH+](C)CC)C1CCCCCC1 ZINC001670976548 1084179871 /nfs/dbraw/zinc/17/98/71/1084179871.db2.gz CRIQZJQTHYSWEU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[N@H+](CCNC(=O)CC[NH+](C)CC)C1CCCCCC1 ZINC001670976548 1084179881 /nfs/dbraw/zinc/17/98/81/1084179881.db2.gz CRIQZJQTHYSWEU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001670989404 1084186524 /nfs/dbraw/zinc/18/65/24/1084186524.db2.gz STDQLIUPDKNRFG-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP N#CCCCC[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277949658 1084448383 /nfs/dbraw/zinc/44/83/83/1084448383.db2.gz ZNVKPBXAZZPKMT-UHFFFAOYSA-N 2 1 301.438 2.391 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964014955 1085147072 /nfs/dbraw/zinc/14/70/72/1085147072.db2.gz HAPZHUYHHDNARY-DAWZGUTISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCCC)C(C)(C)C ZINC001486401673 1085288274 /nfs/dbraw/zinc/28/82/74/1085288274.db2.gz ZHIWZKXLEUAXEA-DLBZAZTESA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCCC)C(C)(C)C ZINC001486401673 1085288282 /nfs/dbraw/zinc/28/82/82/1085288282.db2.gz ZHIWZKXLEUAXEA-DLBZAZTESA-N 2 1 321.509 2.395 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961286522 1085672069 /nfs/dbraw/zinc/67/20/69/1085672069.db2.gz RTJBIXRNIYIYAJ-QZTJIDSGSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965933069 1085700633 /nfs/dbraw/zinc/70/06/33/1085700633.db2.gz LMIAWDSWCQPADF-GFBLOWMDSA-N 2 1 305.466 2.062 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018387 1085978090 /nfs/dbraw/zinc/97/80/90/1085978090.db2.gz KAKORCIURKJMOY-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962268541 1086045876 /nfs/dbraw/zinc/04/58/76/1086045876.db2.gz FDAJWQLOBOQJOW-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962268541 1086045883 /nfs/dbraw/zinc/04/58/83/1086045883.db2.gz FDAJWQLOBOQJOW-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962268541 1086045891 /nfs/dbraw/zinc/04/58/91/1086045891.db2.gz FDAJWQLOBOQJOW-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769627 1088459360 /nfs/dbraw/zinc/45/93/60/1088459360.db2.gz GZCNCALAOKLYQS-PIIMJCKOSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849205 1088471119 /nfs/dbraw/zinc/47/11/19/1088471119.db2.gz PZLIVNDIPSKZBD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079849205 1088471125 /nfs/dbraw/zinc/47/11/25/1088471125.db2.gz PZLIVNDIPSKZBD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079849205 1088471131 /nfs/dbraw/zinc/47/11/31/1088471131.db2.gz PZLIVNDIPSKZBD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021586 1088565041 /nfs/dbraw/zinc/56/50/41/1088565041.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021586 1088565054 /nfs/dbraw/zinc/56/50/54/1088565054.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021586 1088565072 /nfs/dbraw/zinc/56/50/72/1088565072.db2.gz GTTAJJFDRAGOON-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782497 1088613819 /nfs/dbraw/zinc/61/38/19/1088613819.db2.gz FVSHITKLOUSLCX-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554180 1089060981 /nfs/dbraw/zinc/06/09/81/1089060981.db2.gz FIDFBBXATDRMAE-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080755982 1089173179 /nfs/dbraw/zinc/17/31/79/1089173179.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080755982 1089173185 /nfs/dbraw/zinc/17/31/85/1089173185.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080755982 1089173200 /nfs/dbraw/zinc/17/32/00/1089173200.db2.gz DTIKMMDSOIXTKD-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639465 1090355531 /nfs/dbraw/zinc/35/55/31/1090355531.db2.gz UKMHPTGZNBESBF-BRWVUGGUSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410394710 1090611946 /nfs/dbraw/zinc/61/19/46/1090611946.db2.gz XWNLVWLKXFZIFF-KGLIPLIRSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010114 1090620776 /nfs/dbraw/zinc/62/07/76/1090620776.db2.gz MVMZKBJKXPWJQG-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101046 1090645941 /nfs/dbraw/zinc/64/59/41/1090645941.db2.gz QQDYSNQPSAANPN-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101046 1090645942 /nfs/dbraw/zinc/64/59/42/1090645942.db2.gz QQDYSNQPSAANPN-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101046 1090645945 /nfs/dbraw/zinc/64/59/45/1090645945.db2.gz QQDYSNQPSAANPN-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274339553 1091195383 /nfs/dbraw/zinc/19/53/83/1091195383.db2.gz JEVTXPCMCCVMLG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001274611831 1091325020 /nfs/dbraw/zinc/32/50/20/1091325020.db2.gz WVQHRXMTLSPKIE-XZVRFQMRSA-N 2 1 301.434 2.127 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001494838460 1091670717 /nfs/dbraw/zinc/67/07/17/1091670717.db2.gz DHKCHEDSCZXQFK-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001671086022 1091763560 /nfs/dbraw/zinc/76/35/60/1091763560.db2.gz UUCVJZWBMIOJFW-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281455 1091923467 /nfs/dbraw/zinc/92/34/67/1091923467.db2.gz SITNTEBGWGSUHN-VQHPVUNQSA-N 2 1 317.477 2.158 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766418 1091923868 /nfs/dbraw/zinc/92/38/68/1091923868.db2.gz JZEVTWCDTDXENV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766418 1091923873 /nfs/dbraw/zinc/92/38/73/1091923873.db2.gz JZEVTWCDTDXENV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1ccccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275965340 1092388875 /nfs/dbraw/zinc/38/88/75/1092388875.db2.gz BNIGRXDXDDSEIC-UHFFFAOYSA-N 2 1 321.428 2.379 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765681 1093518787 /nfs/dbraw/zinc/51/87/87/1093518787.db2.gz GZDRLCGMUBPEBC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN1CCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274111215 1093803224 /nfs/dbraw/zinc/80/32/24/1093803224.db2.gz SOSHWFDGTSNXSR-UHFFFAOYSA-N 2 1 324.428 2.335 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001039463666 1138277996 /nfs/dbraw/zinc/27/79/96/1138277996.db2.gz AUCLDZMKASBFOH-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001039463666 1138278004 /nfs/dbraw/zinc/27/80/04/1138278004.db2.gz AUCLDZMKASBFOH-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001039463666 1138278008 /nfs/dbraw/zinc/27/80/08/1138278008.db2.gz AUCLDZMKASBFOH-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001238104336 1138823045 /nfs/dbraw/zinc/82/30/45/1138823045.db2.gz LLENMMKDIGOUEG-IBGZPJMESA-N 2 1 324.428 2.335 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446403 1140333802 /nfs/dbraw/zinc/33/38/02/1140333802.db2.gz VJLWZUBNXCRWKJ-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446403 1140333815 /nfs/dbraw/zinc/33/38/15/1140333815.db2.gz VJLWZUBNXCRWKJ-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1=CCCCC1 ZINC001318535654 1140361463 /nfs/dbraw/zinc/36/14/63/1140361463.db2.gz CPRNHDZGWLQPFF-MSOLQXFVSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1=CCCCC1 ZINC001318535654 1140361475 /nfs/dbraw/zinc/36/14/75/1140361475.db2.gz CPRNHDZGWLQPFF-MSOLQXFVSA-N 2 1 317.477 2.069 20 30 DEEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246023370 1140848192 /nfs/dbraw/zinc/84/81/92/1140848192.db2.gz RKGBOWZFMYMUKH-GVDBMIGSSA-N 2 1 300.487 2.130 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCOCC(C)C ZINC001246304299 1140882862 /nfs/dbraw/zinc/88/28/62/1140882862.db2.gz MFQHTGLWTDWMHF-CVEARBPZSA-N 2 1 314.470 2.254 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719888 1141045198 /nfs/dbraw/zinc/04/51/98/1141045198.db2.gz HMXUCLXOFYRCTE-BSDSXHPESA-N 2 1 308.466 2.201 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322345652 1141537556 /nfs/dbraw/zinc/53/75/56/1141537556.db2.gz MCSPHUWSJSTTSC-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642356 1141873195 /nfs/dbraw/zinc/87/31/95/1141873195.db2.gz MGRBFFKOKDPHAU-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001278582915 1142241262 /nfs/dbraw/zinc/24/12/62/1142241262.db2.gz RVZJHNMDSVWCMY-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001278632484 1142396186 /nfs/dbraw/zinc/39/61/86/1142396186.db2.gz QKAINDSNQUFASG-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278662466 1142693829 /nfs/dbraw/zinc/69/38/29/1142693829.db2.gz CCDRLEFEUIRFNF-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252481602 1142729554 /nfs/dbraw/zinc/72/95/54/1142729554.db2.gz DJBWFRXDMWQHSZ-NZSAHSFTSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252481602 1142729565 /nfs/dbraw/zinc/72/95/65/1142729565.db2.gz DJBWFRXDMWQHSZ-NZSAHSFTSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001252499164 1142736695 /nfs/dbraw/zinc/73/66/95/1142736695.db2.gz WXOSXYBOJHPBTO-QXAKKESOSA-N 2 1 318.461 2.050 20 30 DEEDMP N#C[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038930 1143029322 /nfs/dbraw/zinc/02/93/22/1143029322.db2.gz SDCLNAHXVQMDHF-SFHVURJKSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[N@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254038930 1143029327 /nfs/dbraw/zinc/02/93/27/1143029327.db2.gz SDCLNAHXVQMDHF-SFHVURJKSA-N 2 1 313.445 2.249 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001263170023 1144359649 /nfs/dbraw/zinc/35/96/49/1144359649.db2.gz FPMLOXZPCWWMLV-ZWKOTPCHSA-N 2 1 315.461 2.308 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001263902057 1144421731 /nfs/dbraw/zinc/42/17/31/1144421731.db2.gz SRMFOFZEZDRYOS-VVLHAWIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264144388 1144486205 /nfs/dbraw/zinc/48/62/05/1144486205.db2.gz IYQPHQBKSIZMOY-OAGGEKHMSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279104651 1144561627 /nfs/dbraw/zinc/56/16/27/1144561627.db2.gz LBGDOJDCTQXULB-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265390806 1144701543 /nfs/dbraw/zinc/70/15/43/1144701543.db2.gz OBBONSHDBHECMF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390806 1144701545 /nfs/dbraw/zinc/70/15/45/1144701545.db2.gz OBBONSHDBHECMF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001265390806 1144701547 /nfs/dbraw/zinc/70/15/47/1144701547.db2.gz OBBONSHDBHECMF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001265459942 1144705286 /nfs/dbraw/zinc/70/52/86/1144705286.db2.gz RSDDJWPKUFHIIS-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265595264 1144716521 /nfs/dbraw/zinc/71/65/21/1144716521.db2.gz VQHKKQBZKVNUFG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595264 1144716524 /nfs/dbraw/zinc/71/65/24/1144716524.db2.gz VQHKKQBZKVNUFG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595264 1144716526 /nfs/dbraw/zinc/71/65/26/1144716526.db2.gz VQHKKQBZKVNUFG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696837 1144729555 /nfs/dbraw/zinc/72/95/55/1144729555.db2.gz KIZICMVFXGNTJG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279347741 1144821022 /nfs/dbraw/zinc/82/10/22/1144821022.db2.gz RXGAJAYRZOVFLE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279347741 1144821023 /nfs/dbraw/zinc/82/10/23/1144821023.db2.gz RXGAJAYRZOVFLE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777197 1144854755 /nfs/dbraw/zinc/85/47/55/1144854755.db2.gz OCAJPFBOYWZESM-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281035863 1144869420 /nfs/dbraw/zinc/86/94/20/1144869420.db2.gz DXCVQHABESVQLY-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001281953429 1144923105 /nfs/dbraw/zinc/92/31/05/1144923105.db2.gz VHIMKCYWIZIGJC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001281953429 1144923107 /nfs/dbraw/zinc/92/31/07/1144923107.db2.gz VHIMKCYWIZIGJC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001281953429 1144923110 /nfs/dbraw/zinc/92/31/10/1144923110.db2.gz VHIMKCYWIZIGJC-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281956704 1144923981 /nfs/dbraw/zinc/92/39/81/1144923981.db2.gz JSYWTORFHWTVTE-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316621864 1145161134 /nfs/dbraw/zinc/16/11/34/1145161134.db2.gz UAQDWUKPXFEKDQ-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810513 1145168845 /nfs/dbraw/zinc/16/88/45/1145168845.db2.gz JQZFBCXYFAQSFG-HUUCEWRRSA-N 2 1 313.461 2.069 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491834916 1146907967 /nfs/dbraw/zinc/90/79/67/1146907967.db2.gz PZHAHZYHLZMECE-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491958422 1147019475 /nfs/dbraw/zinc/01/94/75/1147019475.db2.gz DCFYWTFVHSVJSP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491958422 1147019477 /nfs/dbraw/zinc/01/94/77/1147019477.db2.gz DCFYWTFVHSVJSP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958422 1147019479 /nfs/dbraw/zinc/01/94/79/1147019479.db2.gz DCFYWTFVHSVJSP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958422 1147019483 /nfs/dbraw/zinc/01/94/83/1147019483.db2.gz DCFYWTFVHSVJSP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491965899 1147024753 /nfs/dbraw/zinc/02/47/53/1147024753.db2.gz VLWWLYBUJUDZPS-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001492176950 1147119055 /nfs/dbraw/zinc/11/90/55/1147119055.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492176950 1147119063 /nfs/dbraw/zinc/11/90/63/1147119063.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001492176950 1147119073 /nfs/dbraw/zinc/11/90/73/1147119073.db2.gz BHCGSVSAHXZEDJ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001366333608 1147219900 /nfs/dbraw/zinc/21/99/00/1147219900.db2.gz KNVJHCPTHLMRBL-WFASDCNBSA-N 2 1 319.852 2.046 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812477 1147583602 /nfs/dbraw/zinc/58/36/02/1147583602.db2.gz WVRGRFPFWBGEBC-IAGOWNOFSA-N 2 1 321.509 2.203 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001316734889 1147592860 /nfs/dbraw/zinc/59/28/60/1147592860.db2.gz UGFLYXRLRYWKCI-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001316802199 1147602607 /nfs/dbraw/zinc/60/26/07/1147602607.db2.gz HSRIPRZEOWYHEG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001316802199 1147602608 /nfs/dbraw/zinc/60/26/08/1147602608.db2.gz HSRIPRZEOWYHEG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001316802199 1147602609 /nfs/dbraw/zinc/60/26/09/1147602609.db2.gz HSRIPRZEOWYHEG-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001316809404 1147603845 /nfs/dbraw/zinc/60/38/45/1147603845.db2.gz BRWPWCSDFMCHIA-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317037294 1147651396 /nfs/dbraw/zinc/65/13/96/1147651396.db2.gz PTDREBMXYZXXIX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317037294 1147651397 /nfs/dbraw/zinc/65/13/97/1147651397.db2.gz PTDREBMXYZXXIX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317037294 1147651398 /nfs/dbraw/zinc/65/13/98/1147651398.db2.gz PTDREBMXYZXXIX-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317037883 1147651408 /nfs/dbraw/zinc/65/14/08/1147651408.db2.gz BWXQDAWEMQSBJX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317037883 1147651410 /nfs/dbraw/zinc/65/14/10/1147651410.db2.gz BWXQDAWEMQSBJX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317037883 1147651412 /nfs/dbraw/zinc/65/14/12/1147651412.db2.gz BWXQDAWEMQSBJX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001317082247 1147657648 /nfs/dbraw/zinc/65/76/48/1147657648.db2.gz LNNRXYABHRGUGU-TVFCKZIOSA-N 2 1 319.493 2.003 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001317082247 1147657649 /nfs/dbraw/zinc/65/76/49/1147657649.db2.gz LNNRXYABHRGUGU-TVFCKZIOSA-N 2 1 319.493 2.003 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099377 1147659434 /nfs/dbraw/zinc/65/94/34/1147659434.db2.gz CBDOBWKKZXXHSL-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001317125625 1147662757 /nfs/dbraw/zinc/66/27/57/1147662757.db2.gz GMFBNAUFGJKQQM-SCTDSRPQSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001367215927 1147665280 /nfs/dbraw/zinc/66/52/80/1147665280.db2.gz QPARFNCLBMLSCF-INIZCTEOSA-N 2 1 321.852 2.097 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317139872 1147665716 /nfs/dbraw/zinc/66/57/16/1147665716.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317139872 1147665719 /nfs/dbraw/zinc/66/57/19/1147665719.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317139872 1147665721 /nfs/dbraw/zinc/66/57/21/1147665721.db2.gz LQPKWOVYJDZOSW-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204301 1147676307 /nfs/dbraw/zinc/67/63/07/1147676307.db2.gz MGFLFQWUKNYBHP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317426149 1147705831 /nfs/dbraw/zinc/70/58/31/1147705831.db2.gz FHEWFEXXAOTUEX-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459495 1147712098 /nfs/dbraw/zinc/71/20/98/1147712098.db2.gz XTUGHNKZIGOFHM-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317459495 1147712100 /nfs/dbraw/zinc/71/21/00/1147712100.db2.gz XTUGHNKZIGOFHM-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317528056 1147720497 /nfs/dbraw/zinc/72/04/97/1147720497.db2.gz GKYAQXLOQFIGNA-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317528056 1147720499 /nfs/dbraw/zinc/72/04/99/1147720499.db2.gz GKYAQXLOQFIGNA-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317622209 1147734207 /nfs/dbraw/zinc/73/42/07/1147734207.db2.gz CJKOHAPAUMHROZ-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317848884 1147757650 /nfs/dbraw/zinc/75/76/50/1147757650.db2.gz PYMIFWRZMALMKG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317848884 1147757651 /nfs/dbraw/zinc/75/76/51/1147757651.db2.gz PYMIFWRZMALMKG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317848884 1147757652 /nfs/dbraw/zinc/75/76/52/1147757652.db2.gz PYMIFWRZMALMKG-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317862093 1147758805 /nfs/dbraw/zinc/75/88/05/1147758805.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862093 1147758807 /nfs/dbraw/zinc/75/88/07/1147758807.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862093 1147758809 /nfs/dbraw/zinc/75/88/09/1147758809.db2.gz GMCLROWOVRZVQC-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001324656253 1147826747 /nfs/dbraw/zinc/82/67/47/1147826747.db2.gz LXOIQEDGAJYOKJ-NVXWUHKLSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324944535 1147860909 /nfs/dbraw/zinc/86/09/09/1147860909.db2.gz RMZJELUBGNDXLC-IBGZPJMESA-N 2 1 324.428 2.108 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001324944537 1147861108 /nfs/dbraw/zinc/86/11/08/1147861108.db2.gz RMZJELUBGNDXLC-LJQANCHMSA-N 2 1 324.428 2.108 20 30 DEEDMP C[N@@H+](CCOCCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060033 529922344 /nfs/dbraw/zinc/92/23/44/529922344.db2.gz MPIJXYUEHFYAJA-UHFFFAOYSA-N 2 1 302.422 2.160 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000051957993 354391687 /nfs/dbraw/zinc/39/16/87/354391687.db2.gz QRRHJVQPHMUMPG-UHFFFAOYSA-N 2 1 317.408 2.242 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000066242690 354705664 /nfs/dbraw/zinc/70/56/64/354705664.db2.gz PSJDZUJDQIVLDM-MRXNPFEDSA-N 2 1 304.438 2.168 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405782 1151855720 /nfs/dbraw/zinc/85/57/20/1151855720.db2.gz MKKDUBXVQWLOGN-LEOMRAHMSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000592526842 357895447 /nfs/dbraw/zinc/89/54/47/357895447.db2.gz ORDGERYFWNRIJP-UHFFFAOYSA-N 2 1 322.497 2.153 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660599506 540310958 /nfs/dbraw/zinc/31/09/58/540310958.db2.gz KDTZTKJXLFUECW-MRXNPFEDSA-N 2 1 322.497 2.199 20 30 DEEDMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180035856 199110030 /nfs/dbraw/zinc/11/00/30/199110030.db2.gz BNMQJWNQTRKERR-UHFFFAOYSA-N 2 1 309.417 2.143 20 30 DEEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348323800 284684214 /nfs/dbraw/zinc/68/42/14/284684214.db2.gz SPLLCICPCZLJBN-IRXDYDNUSA-N 2 1 322.497 2.239 20 30 DEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304811487 285340015 /nfs/dbraw/zinc/34/00/15/285340015.db2.gz XGBUKWKKURDHEK-GZBFAFLISA-N 2 1 324.494 2.070 20 30 DEEDMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422973494 533520739 /nfs/dbraw/zinc/52/07/39/533520739.db2.gz BYOOIJRFPAANGL-UNEWFSDZSA-N 2 1 316.424 2.396 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512346 401780856 /nfs/dbraw/zinc/78/08/56/401780856.db2.gz KWQRLHDTJHSJSU-WMZOPIPTSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113512346 401780857 /nfs/dbraw/zinc/78/08/57/401780857.db2.gz KWQRLHDTJHSJSU-WMZOPIPTSA-N 2 1 318.461 2.038 20 30 DEEDMP C[NH+]1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000090971070 401989899 /nfs/dbraw/zinc/98/98/99/401989899.db2.gz PGXKGDWEAHQAIR-UHFFFAOYSA-N 2 1 314.433 2.327 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184755323 402297607 /nfs/dbraw/zinc/29/76/07/402297607.db2.gz XQXNESIQWYRJQK-MCPYQZEQSA-N 2 1 315.461 2.035 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184755323 402297608 /nfs/dbraw/zinc/29/76/08/402297608.db2.gz XQXNESIQWYRJQK-MCPYQZEQSA-N 2 1 315.461 2.035 20 30 DEEDMP C=CC[C@@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687650 402455446 /nfs/dbraw/zinc/45/54/46/402455446.db2.gz BEHRQUXHXZLWQE-VJANTYMQSA-N 2 1 300.446 2.424 20 30 DEEDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181560781 402649838 /nfs/dbraw/zinc/64/98/38/402649838.db2.gz HSIKOPLLPDBCGE-OAHLLOKOSA-N 2 1 317.433 2.086 20 30 DEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657988 403103790 /nfs/dbraw/zinc/10/37/90/403103790.db2.gz HSXQNKHSZIPBJS-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657988 403103793 /nfs/dbraw/zinc/10/37/93/403103793.db2.gz HSXQNKHSZIPBJS-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657988 403103794 /nfs/dbraw/zinc/10/37/94/403103794.db2.gz HSXQNKHSZIPBJS-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268657988 403103797 /nfs/dbraw/zinc/10/37/97/403103797.db2.gz HSXQNKHSZIPBJS-FUHWJXTLSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CCOc1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282502335 403155339 /nfs/dbraw/zinc/15/53/39/403155339.db2.gz WVCDARYCCFDKGZ-UHFFFAOYSA-N 2 1 317.477 2.367 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000285899887 403406107 /nfs/dbraw/zinc/40/61/07/403406107.db2.gz CPVXGKLIRLUWSG-OAHLLOKOSA-N 2 1 305.422 2.041 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343924292 403794269 /nfs/dbraw/zinc/79/42/69/403794269.db2.gz MVONHOPJXYOJNG-LPHOPBHVSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343924292 403794273 /nfs/dbraw/zinc/79/42/73/403794273.db2.gz MVONHOPJXYOJNG-LPHOPBHVSA-N 2 1 312.461 2.016 20 30 DEEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000348300495 404058093 /nfs/dbraw/zinc/05/80/93/404058093.db2.gz BDQGMVZSVLGLJM-HZPDHXFCSA-N 2 1 320.481 2.039 20 30 DEEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccn3ccnc3c2)C[C@H]1C ZINC000329009471 404199276 /nfs/dbraw/zinc/19/92/76/404199276.db2.gz DDMZXEIBELHIDW-KGLIPLIRSA-N 2 1 315.421 2.163 20 30 DEEDMP C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364856002 404540792 /nfs/dbraw/zinc/54/07/92/404540792.db2.gz NXSSEIGRFDHNGB-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCCCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364856002 404540794 /nfs/dbraw/zinc/54/07/94/404540794.db2.gz NXSSEIGRFDHNGB-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424150207 405024393 /nfs/dbraw/zinc/02/43/93/405024393.db2.gz YKJUALFHNREFGE-CABCVRRESA-N 2 1 308.470 2.024 20 30 DEEDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424150212 405024464 /nfs/dbraw/zinc/02/44/64/405024464.db2.gz YKJUALFHNREFGE-LSDHHAIUSA-N 2 1 308.470 2.024 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423212575 405724297 /nfs/dbraw/zinc/72/42/97/405724297.db2.gz JXBCZLLNTFMPGG-YOFSQIOKSA-N 2 1 324.472 2.395 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000491485062 406603343 /nfs/dbraw/zinc/60/33/43/406603343.db2.gz MTGPRYHKTBXRCT-UHFFFAOYSA-N 2 1 302.422 2.365 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768824 406709339 /nfs/dbraw/zinc/70/93/39/406709339.db2.gz JNEJCQBVOPLXCY-INIZCTEOSA-N 2 1 313.445 2.419 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768824 406709346 /nfs/dbraw/zinc/70/93/46/406709346.db2.gz JNEJCQBVOPLXCY-INIZCTEOSA-N 2 1 313.445 2.419 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940580 425692457 /nfs/dbraw/zinc/69/24/57/425692457.db2.gz CXQKSDCBFWWKLI-HOTGVXAUSA-N 2 1 303.454 2.066 20 30 DEEDMP C=CC[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CCC[NH2+]1 ZINC000662702097 425717787 /nfs/dbraw/zinc/71/77/87/425717787.db2.gz WLKHZHDBEMBGTQ-WMZOPIPTSA-N 2 1 307.482 2.456 20 30 DEEDMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000263096538 277053097 /nfs/dbraw/zinc/05/30/97/277053097.db2.gz JLGWQGIFXLDGPI-HOCLYGCPSA-N 2 1 316.449 2.146 20 30 DEEDMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1Cl ZINC001349896202 1151305102 /nfs/dbraw/zinc/30/51/02/1151305102.db2.gz DYFJMXVNXSWBRU-AWEZNQCLSA-N 2 1 308.813 2.361 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000583360687 332352806 /nfs/dbraw/zinc/35/28/06/332352806.db2.gz DKMMMIKSVONKTM-AYOQOUSVSA-N 2 1 313.445 2.425 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC001357366672 1152293766 /nfs/dbraw/zinc/29/37/66/1152293766.db2.gz HXOANBBWJOMFJD-HIFRSBDPSA-N 2 1 321.490 2.295 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC001357366672 1152293771 /nfs/dbraw/zinc/29/37/71/1152293771.db2.gz HXOANBBWJOMFJD-HIFRSBDPSA-N 2 1 321.490 2.295 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330229308 1149074217 /nfs/dbraw/zinc/07/42/17/1149074217.db2.gz DJMHHISFMASKOA-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP CNC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040686 526343997 /nfs/dbraw/zinc/34/39/97/526343997.db2.gz RWONCXRVOWGJTH-SMDDNHRTSA-N 2 1 312.820 2.267 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264122946 526575954 /nfs/dbraw/zinc/57/59/54/526575954.db2.gz VPZDVSRMYQBPIN-QGZVFWFLSA-N 2 1 300.450 2.031 20 30 DEEDMP CCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000264145945 528162197 /nfs/dbraw/zinc/16/21/97/528162197.db2.gz XUJZQQWPQDPART-MRXNPFEDSA-N 2 1 306.454 2.392 20 30 DEEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262680334 528231914 /nfs/dbraw/zinc/23/19/14/528231914.db2.gz VTMFNRZEKPONPW-HOCLYGCPSA-N 2 1 316.449 2.289 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@H]1C[C@@H]1C ZINC000262842327 528816685 /nfs/dbraw/zinc/81/66/85/528816685.db2.gz UTCZSCHEHHVNMU-WFASDCNBSA-N 2 1 312.421 2.039 20 30 DEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000341640782 528856375 /nfs/dbraw/zinc/85/63/75/528856375.db2.gz OQRWBSKXXOKNLN-HDMKZQKVSA-N 2 1 324.513 2.385 20 30 DEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528611 1148580517 /nfs/dbraw/zinc/58/05/17/1148580517.db2.gz BOVKDVINOIJAPU-IEBWSBKVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484800 625476751 /nfs/dbraw/zinc/47/67/51/625476751.db2.gz JNYUMRDGSFHKLW-CABCVRRESA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523269 625499532 /nfs/dbraw/zinc/49/95/32/625499532.db2.gz LCIMEGUMFNENEU-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001022710568 624860251 /nfs/dbraw/zinc/86/02/51/624860251.db2.gz KCCDWSHQSHKNGI-JKIFEVAISA-N 2 1 311.445 2.012 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972475352 625111561 /nfs/dbraw/zinc/11/15/61/625111561.db2.gz IPHZCDBYENAVML-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972475352 625111563 /nfs/dbraw/zinc/11/15/63/625111563.db2.gz IPHZCDBYENAVML-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402663 625254639 /nfs/dbraw/zinc/25/46/39/625254639.db2.gz QKUAZRXWHVUIGN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402663 625254645 /nfs/dbraw/zinc/25/46/45/625254645.db2.gz QKUAZRXWHVUIGN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498362 625274718 /nfs/dbraw/zinc/27/47/18/625274718.db2.gz KGDFKOJMBNBKSF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498362 625274720 /nfs/dbraw/zinc/27/47/20/625274720.db2.gz KGDFKOJMBNBKSF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007498362 625274722 /nfs/dbraw/zinc/27/47/22/625274722.db2.gz KGDFKOJMBNBKSF-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cc1 ZINC001024576697 625900198 /nfs/dbraw/zinc/90/01/98/625900198.db2.gz YITCPXBQXMOOGJ-GOSISDBHSA-N 2 1 322.412 2.090 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024613948 625930053 /nfs/dbraw/zinc/93/00/53/625930053.db2.gz DVBXVRFCADQDSP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613948 625930062 /nfs/dbraw/zinc/93/00/62/625930062.db2.gz DVBXVRFCADQDSP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613948 625930067 /nfs/dbraw/zinc/93/00/67/625930067.db2.gz DVBXVRFCADQDSP-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692907 632923788 /nfs/dbraw/zinc/92/37/88/632923788.db2.gz SXLYCNUEGLTBSL-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692907 632923792 /nfs/dbraw/zinc/92/37/92/632923792.db2.gz SXLYCNUEGLTBSL-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299937 633232090 /nfs/dbraw/zinc/23/20/90/633232090.db2.gz HCGYAGWJSVEPGT-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996669635 633343973 /nfs/dbraw/zinc/34/39/73/633343973.db2.gz QYPCYCWCGAFTGR-KRWDZBQOSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977216768 633881532 /nfs/dbraw/zinc/88/15/32/633881532.db2.gz OKHXOURKMPBZNJ-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997612366 633899731 /nfs/dbraw/zinc/89/97/31/633899731.db2.gz GHLOSZJHPIVIET-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939283 634039380 /nfs/dbraw/zinc/03/93/80/634039380.db2.gz GOXZSBBTPSFUNX-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939283 634039385 /nfs/dbraw/zinc/03/93/85/634039385.db2.gz GOXZSBBTPSFUNX-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001027609996 634279414 /nfs/dbraw/zinc/27/94/14/634279414.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001027609996 634279416 /nfs/dbraw/zinc/27/94/16/634279416.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001027609996 634279417 /nfs/dbraw/zinc/27/94/17/634279417.db2.gz HLRQUYPHYLXPGU-ZBFHGGJFSA-N 2 1 304.438 2.087 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187064 634884402 /nfs/dbraw/zinc/88/44/02/634884402.db2.gz QFPFZLQERNPOEY-OKZBNKHCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980189464 634885523 /nfs/dbraw/zinc/88/55/23/634885523.db2.gz WVSLRGGTQBJKCL-KSZLIROESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027963555 635095767 /nfs/dbraw/zinc/09/57/67/635095767.db2.gz AVBIBWTUABZSBV-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992517 635186047 /nfs/dbraw/zinc/18/60/47/635186047.db2.gz BTRADPBMXYCJAF-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153416 635334970 /nfs/dbraw/zinc/33/49/70/635334970.db2.gz ZRYVJMVLFMCRIY-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153416 635334973 /nfs/dbraw/zinc/33/49/73/635334973.db2.gz ZRYVJMVLFMCRIY-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153416 635334976 /nfs/dbraw/zinc/33/49/76/635334976.db2.gz ZRYVJMVLFMCRIY-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001086355 635403591 /nfs/dbraw/zinc/40/35/91/635403591.db2.gz KYIUYIIDQHNMIM-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001086355 635403596 /nfs/dbraw/zinc/40/35/96/635403596.db2.gz KYIUYIIDQHNMIM-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001086355 635403601 /nfs/dbraw/zinc/40/36/01/635403601.db2.gz KYIUYIIDQHNMIM-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001925334 635578659 /nfs/dbraw/zinc/57/86/59/635578659.db2.gz PFUGGQDLDLUEDO-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000981741139 635622113 /nfs/dbraw/zinc/62/21/13/635622113.db2.gz RVSDWLXOFGWZAR-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059276 635848683 /nfs/dbraw/zinc/84/86/83/635848683.db2.gz VMIIRWLLIHHPDN-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059276 635848685 /nfs/dbraw/zinc/84/86/85/635848685.db2.gz VMIIRWLLIHHPDN-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152027 635891060 /nfs/dbraw/zinc/89/10/60/635891060.db2.gz PZOTVUGZFZOTIR-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774537 636122624 /nfs/dbraw/zinc/12/26/24/636122624.db2.gz BAUBDLWHLMZFES-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498443 636470222 /nfs/dbraw/zinc/47/02/22/636470222.db2.gz HLCMVGLSIBFUMG-QGZVFWFLSA-N 2 1 316.449 2.162 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004546098 636483573 /nfs/dbraw/zinc/48/35/73/636483573.db2.gz GONWTPYIQBQSEH-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546098 636483577 /nfs/dbraw/zinc/48/35/77/636483577.db2.gz GONWTPYIQBQSEH-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546098 636483579 /nfs/dbraw/zinc/48/35/79/636483579.db2.gz GONWTPYIQBQSEH-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766197 636718456 /nfs/dbraw/zinc/71/84/56/636718456.db2.gz OCBRZVGGOYVWOV-OAHLLOKOSA-N 2 1 319.449 2.359 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187055761 636907356 /nfs/dbraw/zinc/90/73/56/636907356.db2.gz ARVLTQGAXWXFRV-QGZVFWFLSA-N 2 1 300.450 2.377 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871927 636917997 /nfs/dbraw/zinc/91/79/97/636917997.db2.gz RPUDEWUVEXPEGU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006000206 637060315 /nfs/dbraw/zinc/06/03/15/637060315.db2.gz FGTBYQDBYFMSFB-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000985442716 639412992 /nfs/dbraw/zinc/41/29/92/639412992.db2.gz QQSQXIPBZZGVSG-UKRRQHHQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000985442716 639412994 /nfs/dbraw/zinc/41/29/94/639412994.db2.gz QQSQXIPBZZGVSG-UKRRQHHQSA-N 2 1 313.873 2.002 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803580 639644609 /nfs/dbraw/zinc/64/46/09/639644609.db2.gz GKDOGUQWTDBKLU-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000989451530 641011807 /nfs/dbraw/zinc/01/18/07/641011807.db2.gz TXYKTVHAHCNLJR-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211751 /nfs/dbraw/zinc/21/17/51/641211751.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211754 /nfs/dbraw/zinc/21/17/54/641211754.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000989728098 641211757 /nfs/dbraw/zinc/21/17/57/641211757.db2.gz AXBUEENHJYGJQW-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989738463 641215033 /nfs/dbraw/zinc/21/50/33/641215033.db2.gz BOGUTNXEONXVTH-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP N#CC1CCC(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903506436 643367250 /nfs/dbraw/zinc/36/72/50/643367250.db2.gz ULMFHBHWWOOQQY-JVPGXQPFSA-N 2 1 316.493 2.217 20 30 DEEDMP N#CC1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903506436 643367255 /nfs/dbraw/zinc/36/72/55/643367255.db2.gz ULMFHBHWWOOQQY-JVPGXQPFSA-N 2 1 316.493 2.217 20 30 DEEDMP N#CC1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903506436 643367258 /nfs/dbraw/zinc/36/72/58/643367258.db2.gz ULMFHBHWWOOQQY-JVPGXQPFSA-N 2 1 316.493 2.217 20 30 DEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000904470914 643677294 /nfs/dbraw/zinc/67/72/94/643677294.db2.gz CXTRLCOOYCKZPW-FUHWJXTLSA-N 2 1 309.369 2.497 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000910447958 645456842 /nfs/dbraw/zinc/45/68/42/645456842.db2.gz BKNGWTRZPFSCBR-KRWDZBQOSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000910447958 645456845 /nfs/dbraw/zinc/45/68/45/645456845.db2.gz BKNGWTRZPFSCBR-KRWDZBQOSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000843813757 651034342 /nfs/dbraw/zinc/03/43/42/651034342.db2.gz FSOTUYBMKDEYLH-QAPCUYQASA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000950469547 646538156 /nfs/dbraw/zinc/53/81/56/646538156.db2.gz ISUQUQYPKWGDGF-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000950469547 646538160 /nfs/dbraw/zinc/53/81/60/646538160.db2.gz ISUQUQYPKWGDGF-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991619179 646547604 /nfs/dbraw/zinc/54/76/04/646547604.db2.gz FAJIUISTOYODNO-FUHWJXTLSA-N 2 1 310.401 2.247 20 30 DEEDMP COc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+]2CCCCC2)cc1 ZINC000170906127 646674609 /nfs/dbraw/zinc/67/46/09/646674609.db2.gz RMMOAPKHNVHLGK-INIZCTEOSA-N 2 1 304.438 2.099 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991992955 646823157 /nfs/dbraw/zinc/82/31/57/646823157.db2.gz HCIUNWVMHPVABZ-JENIJYKNSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189937 646894898 /nfs/dbraw/zinc/89/48/98/646894898.db2.gz OEZQBMALTHVRFI-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189937 646894900 /nfs/dbraw/zinc/89/49/00/646894900.db2.gz OEZQBMALTHVRFI-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189937 646894903 /nfs/dbraw/zinc/89/49/03/646894903.db2.gz OEZQBMALTHVRFI-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353006 646955984 /nfs/dbraw/zinc/95/59/84/646955984.db2.gz QOBGSNPOMZGCCI-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992353006 646955985 /nfs/dbraw/zinc/95/59/85/646955985.db2.gz QOBGSNPOMZGCCI-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992475493 647050175 /nfs/dbraw/zinc/05/01/75/647050175.db2.gz JTFIJPBYUQNDMO-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992475493 647050177 /nfs/dbraw/zinc/05/01/77/647050177.db2.gz JTFIJPBYUQNDMO-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992475493 647050181 /nfs/dbraw/zinc/05/01/81/647050181.db2.gz JTFIJPBYUQNDMO-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153566583 647514562 /nfs/dbraw/zinc/51/45/62/647514562.db2.gz FJRZFFQLWOVTTF-HNNXBMFYSA-N 2 1 324.538 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993358120 647626172 /nfs/dbraw/zinc/62/61/72/647626172.db2.gz YOEFKZURLHXHHI-GOEBONIOSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCN1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@@H]1C ZINC000993358120 647626176 /nfs/dbraw/zinc/62/61/76/647626176.db2.gz YOEFKZURLHXHHI-GOEBONIOSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480600 647683839 /nfs/dbraw/zinc/68/38/39/647683839.db2.gz QGLRGGBQAJTCQH-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745656 648932813 /nfs/dbraw/zinc/93/28/13/648932813.db2.gz RUCYIEDMEORQOY-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745719 648932848 /nfs/dbraw/zinc/93/28/48/648932848.db2.gz SVRRKAOZDCWSPG-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940745766 648932870 /nfs/dbraw/zinc/93/28/70/648932870.db2.gz USQDFRSBGAQXKE-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864642 648957511 /nfs/dbraw/zinc/95/75/11/648957511.db2.gz LPSYVXSJMVLENL-MRXNPFEDSA-N 2 1 312.417 2.351 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948426450 649193093 /nfs/dbraw/zinc/19/30/93/649193093.db2.gz YERTXDKURFBRKS-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948426450 649193097 /nfs/dbraw/zinc/19/30/97/649193097.db2.gz YERTXDKURFBRKS-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948426450 649193098 /nfs/dbraw/zinc/19/30/98/649193098.db2.gz YERTXDKURFBRKS-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943514986 649386998 /nfs/dbraw/zinc/38/69/98/649386998.db2.gz DRZNZZNOMFUXSI-YJBOKZPZSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536561 652564916 /nfs/dbraw/zinc/56/49/16/652564916.db2.gz DREISUGCDRNDHB-CRAIPNDOSA-N 2 1 319.449 2.149 20 30 DEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001391835922 1156812997 /nfs/dbraw/zinc/81/29/97/1156812997.db2.gz DEBMSBKPQNYMSU-UHFFFAOYSA-N 2 1 323.868 2.485 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001373291131 1156937456 /nfs/dbraw/zinc/93/74/56/1156937456.db2.gz QMYGVKIACZBZNA-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001373291131 1156937473 /nfs/dbraw/zinc/93/74/73/1156937473.db2.gz QMYGVKIACZBZNA-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001373291131 1156937484 /nfs/dbraw/zinc/93/74/84/1156937484.db2.gz QMYGVKIACZBZNA-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000305039047 685265392 /nfs/dbraw/zinc/26/53/92/685265392.db2.gz UPDFGTTVVVSWGM-QGZVFWFLSA-N 2 1 302.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154774 693865202 /nfs/dbraw/zinc/86/52/02/693865202.db2.gz VQZILXFAGXLUSN-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192385 693875749 /nfs/dbraw/zinc/87/57/49/693875749.db2.gz WNMIUPIWHXHLOX-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197881 693879992 /nfs/dbraw/zinc/87/99/92/693879992.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197881 693879996 /nfs/dbraw/zinc/87/99/96/693879996.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197881 693880001 /nfs/dbraw/zinc/88/00/01/693880001.db2.gz KVMVPRJCVKDBAY-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303768135 685233065 /nfs/dbraw/zinc/23/30/65/685233065.db2.gz ACBZNWOZRNIKTB-KRWDZBQOSA-N 2 1 318.465 2.332 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000303789085 685235653 /nfs/dbraw/zinc/23/56/53/685235653.db2.gz VAWGODCHQSVNHB-QGZVFWFLSA-N 2 1 314.477 2.497 20 30 DEEDMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865846951 687353765 /nfs/dbraw/zinc/35/37/65/687353765.db2.gz BRBUKJMWSYAEIE-OAHLLOKOSA-N 2 1 312.442 2.333 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016687261 687682554 /nfs/dbraw/zinc/68/25/54/687682554.db2.gz GFRRHPJFZUQSKK-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017655734 687933346 /nfs/dbraw/zinc/93/33/46/687933346.db2.gz IMICFBDEJFQFFQ-CALCHBBNSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001019464528 688361461 /nfs/dbraw/zinc/36/14/61/688361461.db2.gz MPTOMLBFVAXPNO-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000998 688548965 /nfs/dbraw/zinc/54/89/65/688548965.db2.gz NMTHPZJBWGMZBJ-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032043140 689048321 /nfs/dbraw/zinc/04/83/21/689048321.db2.gz VWTMJTXTFHOVRD-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCN1CCN(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000872744206 689081823 /nfs/dbraw/zinc/08/18/23/689081823.db2.gz RFUJGRGWAQSEKK-UHFFFAOYSA-N 2 1 322.497 2.167 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413608 689144060 /nfs/dbraw/zinc/14/40/60/689144060.db2.gz MACHNARJHQDHOR-JYJNAYRXSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413608 689144062 /nfs/dbraw/zinc/14/40/62/689144062.db2.gz MACHNARJHQDHOR-JYJNAYRXSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445449 689153625 /nfs/dbraw/zinc/15/36/25/689153625.db2.gz GTRCGFHPGBIJJW-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445449 689153626 /nfs/dbraw/zinc/15/36/26/689153626.db2.gz GTRCGFHPGBIJJW-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445449 689153629 /nfs/dbraw/zinc/15/36/29/689153629.db2.gz GTRCGFHPGBIJJW-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032445078 689153735 /nfs/dbraw/zinc/15/37/35/689153735.db2.gz UTVVPUWZAFTAHV-HRCADAONSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032445078 689153736 /nfs/dbraw/zinc/15/37/36/689153736.db2.gz UTVVPUWZAFTAHV-HRCADAONSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143969 689403047 /nfs/dbraw/zinc/40/30/47/689403047.db2.gz OWFYUEAVGVXQIJ-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143969 689403050 /nfs/dbraw/zinc/40/30/50/689403050.db2.gz OWFYUEAVGVXQIJ-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143969 689403052 /nfs/dbraw/zinc/40/30/52/689403052.db2.gz OWFYUEAVGVXQIJ-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228278 689432101 /nfs/dbraw/zinc/43/21/01/689432101.db2.gz KCQHXMSGTDKLRJ-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033359458 689476234 /nfs/dbraw/zinc/47/62/34/689476234.db2.gz ZOVCXHXPOZVRHJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359458 689476235 /nfs/dbraw/zinc/47/62/35/689476235.db2.gz ZOVCXHXPOZVRHJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033359458 689476236 /nfs/dbraw/zinc/47/62/36/689476236.db2.gz ZOVCXHXPOZVRHJ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687142 689584112 /nfs/dbraw/zinc/58/41/12/689584112.db2.gz YSLKHONKAJZCFW-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687143 689584835 /nfs/dbraw/zinc/58/48/35/689584835.db2.gz YSLKHONKAJZCFW-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213416 689765627 /nfs/dbraw/zinc/76/56/27/689765627.db2.gz XVPUEPASLBWHFT-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290426 689796645 /nfs/dbraw/zinc/79/66/45/689796645.db2.gz GHPOIBPWQWOEJJ-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290951 689797746 /nfs/dbraw/zinc/79/77/46/689797746.db2.gz KWXNFKYDSJOQMD-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCC)C2)CC1 ZINC001034538864 689890851 /nfs/dbraw/zinc/89/08/51/689890851.db2.gz SYCKJLFWRYTFJI-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000876710524 689911480 /nfs/dbraw/zinc/91/14/80/689911480.db2.gz IOQMICDOCFHGIP-INIZCTEOSA-N 2 1 321.852 2.109 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642550 689917090 /nfs/dbraw/zinc/91/70/90/689917090.db2.gz HCCCGNFFDQRSKP-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876989102 689992202 /nfs/dbraw/zinc/99/22/02/689992202.db2.gz OKZNZOUYVVJXBS-ZBFHGGJFSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876989102 689992205 /nfs/dbraw/zinc/99/22/05/689992205.db2.gz OKZNZOUYVVJXBS-ZBFHGGJFSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227641 690067073 /nfs/dbraw/zinc/06/70/73/690067073.db2.gz TYMNALCQARWMDK-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227641 690067077 /nfs/dbraw/zinc/06/70/77/690067077.db2.gz TYMNALCQARWMDK-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227641 690067082 /nfs/dbraw/zinc/06/70/82/690067082.db2.gz TYMNALCQARWMDK-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233515 690068832 /nfs/dbraw/zinc/06/88/32/690068832.db2.gz GIZCUFCNQCFDOP-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035247003 690072919 /nfs/dbraw/zinc/07/29/19/690072919.db2.gz RXBFVDKUUWGQGJ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247003 690072921 /nfs/dbraw/zinc/07/29/21/690072921.db2.gz RXBFVDKUUWGQGJ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035247003 690072922 /nfs/dbraw/zinc/07/29/22/690072922.db2.gz RXBFVDKUUWGQGJ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035798096 690179138 /nfs/dbraw/zinc/17/91/38/690179138.db2.gz LKHPFPQOFCIKTM-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036093710 690258545 /nfs/dbraw/zinc/25/85/45/690258545.db2.gz FWHDJNNJRJLYSS-WBVHZDCISA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763181 690464050 /nfs/dbraw/zinc/46/40/50/690464050.db2.gz WPKLRWXNAZWZIW-SJLPKXTDSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801201 690478728 /nfs/dbraw/zinc/47/87/28/690478728.db2.gz IAWCEXXWAVTWPL-HOCLYGCPSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801201 690478731 /nfs/dbraw/zinc/47/87/31/690478731.db2.gz IAWCEXXWAVTWPL-HOCLYGCPSA-N 2 1 317.433 2.064 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820581 690485436 /nfs/dbraw/zinc/48/54/36/690485436.db2.gz LHKYGCIBNGHRFR-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820581 690485438 /nfs/dbraw/zinc/48/54/38/690485438.db2.gz LHKYGCIBNGHRFR-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820581 690485439 /nfs/dbraw/zinc/48/54/39/690485439.db2.gz LHKYGCIBNGHRFR-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038815526 690932335 /nfs/dbraw/zinc/93/23/35/690932335.db2.gz FYCNKOQCAXBSOO-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243824 691218992 /nfs/dbraw/zinc/21/89/92/691218992.db2.gz CBLJQPNKDVAILB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243824 691218996 /nfs/dbraw/zinc/21/89/96/691218996.db2.gz CBLJQPNKDVAILB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040243824 691218998 /nfs/dbraw/zinc/21/89/98/691218998.db2.gz CBLJQPNKDVAILB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040251355 691220801 /nfs/dbraw/zinc/22/08/01/691220801.db2.gz XHMXGFNDGYNCNT-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262760 691222657 /nfs/dbraw/zinc/22/26/57/691222657.db2.gz UYDJJMLCOKSPOR-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040531622 691262448 /nfs/dbraw/zinc/26/24/48/691262448.db2.gz QKNDJPUXNMEWQJ-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041276215 691354492 /nfs/dbraw/zinc/35/44/92/691354492.db2.gz ISXOGSOCKGTWPN-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276215 691354495 /nfs/dbraw/zinc/35/44/95/691354495.db2.gz ISXOGSOCKGTWPN-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041276215 691354497 /nfs/dbraw/zinc/35/44/97/691354497.db2.gz ISXOGSOCKGTWPN-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357414 691366660 /nfs/dbraw/zinc/36/66/60/691366660.db2.gz HFDWKKIHFVWQBV-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041588898 691398362 /nfs/dbraw/zinc/39/83/62/691398362.db2.gz ZVFYLEUYSBESJN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588898 691398365 /nfs/dbraw/zinc/39/83/65/691398365.db2.gz ZVFYLEUYSBESJN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588898 691398368 /nfs/dbraw/zinc/39/83/68/691398368.db2.gz ZVFYLEUYSBESJN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757449 691424865 /nfs/dbraw/zinc/42/48/65/691424865.db2.gz WBPDCIWMBAVYGC-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095918 691507763 /nfs/dbraw/zinc/50/77/63/691507763.db2.gz RPDCRLDVUGKEIS-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095918 691507766 /nfs/dbraw/zinc/50/77/66/691507766.db2.gz RPDCRLDVUGKEIS-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095918 691507769 /nfs/dbraw/zinc/50/77/69/691507769.db2.gz RPDCRLDVUGKEIS-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438731 691981038 /nfs/dbraw/zinc/98/10/38/691981038.db2.gz WFGMRYZTITUXCL-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000886016744 691984123 /nfs/dbraw/zinc/98/41/23/691984123.db2.gz KRJKSTYFOIPLEU-IAGOWNOFSA-N 2 1 305.466 2.382 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947243 692060168 /nfs/dbraw/zinc/06/01/68/692060168.db2.gz JPLWJWJRAIPCDA-IEBWSBKVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369134 692168089 /nfs/dbraw/zinc/16/80/89/692168089.db2.gz POROFRDAGIQUHM-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369134 692168092 /nfs/dbraw/zinc/16/80/92/692168092.db2.gz POROFRDAGIQUHM-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369134 692168095 /nfs/dbraw/zinc/16/80/95/692168095.db2.gz POROFRDAGIQUHM-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450330 692190644 /nfs/dbraw/zinc/19/06/44/692190644.db2.gz SEPCJJYZEKJJKP-SFHVURJKSA-N 2 1 312.417 2.495 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000887132722 692287620 /nfs/dbraw/zinc/28/76/20/692287620.db2.gz LRORCSDIJAAYKI-HNAYVOBHSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562763 692648436 /nfs/dbraw/zinc/64/84/36/692648436.db2.gz RXBHRDMINBKNBA-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562763 692648438 /nfs/dbraw/zinc/64/84/38/692648438.db2.gz RXBHRDMINBKNBA-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562763 692648440 /nfs/dbraw/zinc/64/84/40/692648440.db2.gz RXBHRDMINBKNBA-IECFSIQFSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820870 692703988 /nfs/dbraw/zinc/70/39/88/692703988.db2.gz RLLYOVQCUZOPJG-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165670 692778183 /nfs/dbraw/zinc/77/81/83/692778183.db2.gz XUERBETZFIQHLB-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165670 692778186 /nfs/dbraw/zinc/77/81/86/692778186.db2.gz XUERBETZFIQHLB-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165670 692778191 /nfs/dbraw/zinc/77/81/91/692778191.db2.gz XUERBETZFIQHLB-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516622 692908033 /nfs/dbraw/zinc/90/80/33/692908033.db2.gz DTKUXTVKKBUBCM-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589647 692933016 /nfs/dbraw/zinc/93/30/16/692933016.db2.gz AFJSNMBKQHKYOT-ZWKOTPCHSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049615455 692940868 /nfs/dbraw/zinc/94/08/68/692940868.db2.gz KCSJPADCBROVDI-RCCFBDPRSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671619 692961257 /nfs/dbraw/zinc/96/12/57/692961257.db2.gz LXZGAURQICEJIV-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671619 692961261 /nfs/dbraw/zinc/96/12/61/692961261.db2.gz LXZGAURQICEJIV-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671619 692961262 /nfs/dbraw/zinc/96/12/62/692961262.db2.gz LXZGAURQICEJIV-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724872 692977528 /nfs/dbraw/zinc/97/75/28/692977528.db2.gz UGBMZRPPGWZTLW-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724872 692977533 /nfs/dbraw/zinc/97/75/33/692977533.db2.gz UGBMZRPPGWZTLW-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724872 692977536 /nfs/dbraw/zinc/97/75/36/692977536.db2.gz UGBMZRPPGWZTLW-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805364 693005990 /nfs/dbraw/zinc/00/59/90/693005990.db2.gz JNUSHDWLULJUBH-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425938 693532141 /nfs/dbraw/zinc/53/21/41/693532141.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425938 693532145 /nfs/dbraw/zinc/53/21/45/693532145.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425938 693532150 /nfs/dbraw/zinc/53/21/50/693532150.db2.gz HQQXFGGEJJQSHF-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425939 693532315 /nfs/dbraw/zinc/53/23/15/693532315.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425939 693532317 /nfs/dbraw/zinc/53/23/17/693532317.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425939 693532319 /nfs/dbraw/zinc/53/23/19/693532319.db2.gz HQQXFGGEJJQSHF-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(C)C)CC1 ZINC001052459823 693540219 /nfs/dbraw/zinc/54/02/19/693540219.db2.gz SAAHDUZLWHZHPZ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001052459823 693540221 /nfs/dbraw/zinc/54/02/21/693540221.db2.gz SAAHDUZLWHZHPZ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC001052459823 693540222 /nfs/dbraw/zinc/54/02/22/693540222.db2.gz SAAHDUZLWHZHPZ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(C)C)CC1 ZINC001052459823 693540224 /nfs/dbraw/zinc/54/02/24/693540224.db2.gz SAAHDUZLWHZHPZ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515294 693555091 /nfs/dbraw/zinc/55/50/91/693555091.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515294 693555095 /nfs/dbraw/zinc/55/50/95/693555095.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515294 693555099 /nfs/dbraw/zinc/55/50/99/693555099.db2.gz CRGPGAFDAOLIPQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515823 693555607 /nfs/dbraw/zinc/55/56/07/693555607.db2.gz JWTGZOBVDCURJQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515823 693555611 /nfs/dbraw/zinc/55/56/11/693555611.db2.gz JWTGZOBVDCURJQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515823 693555614 /nfs/dbraw/zinc/55/56/14/693555614.db2.gz JWTGZOBVDCURJQ-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838024 693629778 /nfs/dbraw/zinc/62/97/78/693629778.db2.gz ZCZVGHKHGYDOPG-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108476 693690614 /nfs/dbraw/zinc/69/06/14/693690614.db2.gz UTBCFHIVOZVPHR-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108477 693691204 /nfs/dbraw/zinc/69/12/04/693691204.db2.gz UTBCFHIVOZVPHR-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C#N)c2)[C@H](C)C1 ZINC001333360065 1150039384 /nfs/dbraw/zinc/03/93/84/1150039384.db2.gz IKBKGLLQSLOZDS-CRAIPNDOSA-N 2 1 316.449 2.180 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357363125 1152292933 /nfs/dbraw/zinc/29/29/33/1152292933.db2.gz WKVDNPTVIQMNKE-ROUUACIJSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357363124 1152293302 /nfs/dbraw/zinc/29/33/02/1152293302.db2.gz WKVDNPTVIQMNKE-QZTJIDSGSA-N 2 1 315.461 2.451 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001382018624 1153319939 /nfs/dbraw/zinc/31/99/39/1153319939.db2.gz IVKYQPJJSRPJPF-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001393788904 1157982976 /nfs/dbraw/zinc/98/29/76/1157982976.db2.gz QDTLPYVAVDXGFE-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001393788904 1157982984 /nfs/dbraw/zinc/98/29/84/1157982984.db2.gz QDTLPYVAVDXGFE-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001393788904 1157982996 /nfs/dbraw/zinc/98/29/96/1157982996.db2.gz QDTLPYVAVDXGFE-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001393788904 1157982968 /nfs/dbraw/zinc/98/29/68/1157982968.db2.gz QDTLPYVAVDXGFE-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001375745486 1158860492 /nfs/dbraw/zinc/86/04/92/1158860492.db2.gz YPVXSBFTKGLCOT-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001377498410 1160431313 /nfs/dbraw/zinc/43/13/13/1160431313.db2.gz SHLIAXGHTJGAOI-UHFFFAOYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001377498410 1160431321 /nfs/dbraw/zinc/43/13/21/1160431321.db2.gz SHLIAXGHTJGAOI-UHFFFAOYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001406176832 1164494195 /nfs/dbraw/zinc/49/41/95/1164494195.db2.gz FNMSPAAVPRNGCW-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001406176832 1164494189 /nfs/dbraw/zinc/49/41/89/1164494189.db2.gz FNMSPAAVPRNGCW-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001407275887 1165080492 /nfs/dbraw/zinc/08/04/92/1165080492.db2.gz UKJGNAXAPRZIDQ-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001419937203 1168961461 /nfs/dbraw/zinc/96/14/61/1168961461.db2.gz SKHBWXQRQACHCI-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001422933805 1172954167 /nfs/dbraw/zinc/95/41/67/1172954167.db2.gz LZOZXEVVPLRSRK-HUUCEWRRSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001436936605 1179309684 /nfs/dbraw/zinc/30/96/84/1179309684.db2.gz VQVQJTXVNGVVKT-JYJNAYRXSA-N 2 1 321.852 2.279 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001439418033 1181081309 /nfs/dbraw/zinc/08/13/09/1181081309.db2.gz LARMYZIXHNIWIX-GJZGRUSLSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439699412 1181203294 /nfs/dbraw/zinc/20/32/94/1181203294.db2.gz GPTFGRNXCBKUIY-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439699412 1181203298 /nfs/dbraw/zinc/20/32/98/1181203298.db2.gz GPTFGRNXCBKUIY-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001440728286 1181658681 /nfs/dbraw/zinc/65/86/81/1181658681.db2.gz FRGSRDJOZRRGGL-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001440728286 1181658684 /nfs/dbraw/zinc/65/86/84/1181658684.db2.gz FRGSRDJOZRRGGL-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001440728286 1181658688 /nfs/dbraw/zinc/65/86/88/1181658688.db2.gz FRGSRDJOZRRGGL-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001440728286 1181658695 /nfs/dbraw/zinc/65/86/95/1181658695.db2.gz FRGSRDJOZRRGGL-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001440840326 1181721410 /nfs/dbraw/zinc/72/14/10/1181721410.db2.gz DHGJACVLKRHPEV-OLZOCXBDSA-N 2 1 312.845 2.242 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072832445 790264995 /nfs/dbraw/zinc/26/49/95/790264995.db2.gz KBGMDHNNEJEYBA-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850499 790273283 /nfs/dbraw/zinc/27/32/83/790273283.db2.gz ZWRGCEQQFYWAAJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850499 790273273 /nfs/dbraw/zinc/27/32/73/790273273.db2.gz ZWRGCEQQFYWAAJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850499 790273280 /nfs/dbraw/zinc/27/32/80/790273280.db2.gz ZWRGCEQQFYWAAJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)C(C)C)CC1 ZINC001089260124 782334101 /nfs/dbraw/zinc/33/41/01/782334101.db2.gz YWNZVIOSEYWFLC-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCc2cnc[nH]2)C1 ZINC001333076265 1149988020 /nfs/dbraw/zinc/98/80/20/1149988020.db2.gz WKCOBWSHWBANRR-IUDNXUCKSA-N 2 1 304.438 2.276 20 30 DEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111265354 783092408 /nfs/dbraw/zinc/09/24/08/783092408.db2.gz GAYIXHPNMWCNJG-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493171 783159748 /nfs/dbraw/zinc/15/97/48/783159748.db2.gz UOAWKFUXKXMXBM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493171 783159751 /nfs/dbraw/zinc/15/97/51/783159751.db2.gz UOAWKFUXKXMXBM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493171 783159757 /nfs/dbraw/zinc/15/97/57/783159757.db2.gz UOAWKFUXKXMXBM-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035702 790409313 /nfs/dbraw/zinc/40/93/13/790409313.db2.gz OYRNRXSRFJGSIS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093993 776652165 /nfs/dbraw/zinc/65/21/65/776652165.db2.gz ZZYFOKKZBOPGMV-MSOLQXFVSA-N 2 1 315.461 2.004 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294418 776953086 /nfs/dbraw/zinc/95/30/86/776953086.db2.gz OTFBHOXJIYPMBD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167471554 777123588 /nfs/dbraw/zinc/12/35/88/777123588.db2.gz JQMWFPHCKGWPQA-HNNXBMFYSA-N 2 1 306.454 2.457 20 30 DEEDMP N#Cc1cccc2c1CC[C@H]2Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001171061132 790531709 /nfs/dbraw/zinc/53/17/09/790531709.db2.gz OKXSLEULOMNSKC-QGZVFWFLSA-N 2 1 319.412 2.462 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516949 777568280 /nfs/dbraw/zinc/56/82/80/777568280.db2.gz KTUBKZANXRTDFH-DWRORGKVSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c2c1ccn2C ZINC001171072747 790563335 /nfs/dbraw/zinc/56/33/35/790563335.db2.gz UHYUQVFQZKISMX-AWEZNQCLSA-N 2 1 316.405 2.212 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171117417 790680652 /nfs/dbraw/zinc/68/06/52/790680652.db2.gz AKRSVLWDANQUJJ-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1=O ZINC001167973502 779132173 /nfs/dbraw/zinc/13/21/73/779132173.db2.gz MAVWOHPDJPOMMN-HQSKLWIPSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1=O ZINC001167973502 779132179 /nfs/dbraw/zinc/13/21/79/779132179.db2.gz MAVWOHPDJPOMMN-HQSKLWIPSA-N 2 1 317.477 2.158 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986286 779605695 /nfs/dbraw/zinc/60/56/95/779605695.db2.gz FCXPRIIUZVARCM-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986286 779605699 /nfs/dbraw/zinc/60/56/99/779605699.db2.gz FCXPRIIUZVARCM-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986286 779605702 /nfs/dbraw/zinc/60/57/02/779605702.db2.gz FCXPRIIUZVARCM-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986394 779609917 /nfs/dbraw/zinc/60/99/17/779609917.db2.gz JJQOCNGNSVXZCO-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986394 779609920 /nfs/dbraw/zinc/60/99/20/779609920.db2.gz JJQOCNGNSVXZCO-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986394 779609923 /nfs/dbraw/zinc/60/99/23/779609923.db2.gz JJQOCNGNSVXZCO-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001088605087 780575235 /nfs/dbraw/zinc/57/52/35/780575235.db2.gz GNUYVBUGAISIQD-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605087 780575241 /nfs/dbraw/zinc/57/52/41/780575241.db2.gz GNUYVBUGAISIQD-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1C ZINC001088605087 780575247 /nfs/dbraw/zinc/57/52/47/780575247.db2.gz GNUYVBUGAISIQD-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088656678 780695246 /nfs/dbraw/zinc/69/52/46/780695246.db2.gz AYJCEHILUZPFQW-CABCVRRESA-N 2 1 304.438 2.082 20 30 DEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518092 780731486 /nfs/dbraw/zinc/73/14/86/780731486.db2.gz QMFHMVUTAVVLGU-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088689191 780760496 /nfs/dbraw/zinc/76/04/96/780760496.db2.gz OTNMUOMAFMZWDL-PBHICJAKSA-N 2 1 312.417 2.411 20 30 DEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575191 780772727 /nfs/dbraw/zinc/77/27/27/780772727.db2.gz UNONEKXXRSIQBF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088769077 780969216 /nfs/dbraw/zinc/96/92/16/780969216.db2.gz QDVWDRZRNRRUND-PVAVHDDUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994947 780979279 /nfs/dbraw/zinc/97/92/79/780979279.db2.gz QTWCNMHINBEHEO-DOTOQJQBSA-N 2 1 310.401 2.057 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882539 783255314 /nfs/dbraw/zinc/25/53/14/783255314.db2.gz UXEDDNKLAWNCLA-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722612 783387253 /nfs/dbraw/zinc/38/72/53/783387253.db2.gz BABXVOFYCROGGP-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085224488 783590206 /nfs/dbraw/zinc/59/02/06/783590206.db2.gz IBJYDFPTIQTTAU-BRWVUGGUSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905030 783811393 /nfs/dbraw/zinc/81/13/93/783811393.db2.gz WVCBGJRCVAHHBP-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250941 784523120 /nfs/dbraw/zinc/52/31/20/784523120.db2.gz UBLUNQMGSMGFON-IXDOHACOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968782668 784587131 /nfs/dbraw/zinc/58/71/31/784587131.db2.gz XWHNFBIALMQPLS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968782668 784587139 /nfs/dbraw/zinc/58/71/39/784587139.db2.gz XWHNFBIALMQPLS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968782668 784587145 /nfs/dbraw/zinc/58/71/45/784587145.db2.gz XWHNFBIALMQPLS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968867386 784627264 /nfs/dbraw/zinc/62/72/64/784627264.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867386 784627267 /nfs/dbraw/zinc/62/72/67/784627267.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968867386 784627270 /nfs/dbraw/zinc/62/72/70/784627270.db2.gz WKLIXOOCWZDQFH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919841 784650234 /nfs/dbraw/zinc/65/02/34/784650234.db2.gz LZAZHRBOKSYGTC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919841 784650236 /nfs/dbraw/zinc/65/02/36/784650236.db2.gz LZAZHRBOKSYGTC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919841 784650241 /nfs/dbraw/zinc/65/02/41/784650241.db2.gz LZAZHRBOKSYGTC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919841 784650245 /nfs/dbraw/zinc/65/02/45/784650245.db2.gz LZAZHRBOKSYGTC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955368 784669897 /nfs/dbraw/zinc/66/98/97/784669897.db2.gz TUSMOHKGGRIJOA-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP O=C(C=CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C(F)(F)F ZINC001169474879 785213666 /nfs/dbraw/zinc/21/36/66/785213666.db2.gz CMCGGHNJKOKFBU-ONEGZZNKSA-N 2 1 310.279 2.078 20 30 DEEDMP C=C[C@@H](CO)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169781323 785366566 /nfs/dbraw/zinc/36/65/66/785366566.db2.gz REJQTNQHNTYTEP-DZGCQCFKSA-N 2 1 300.406 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717586 785503900 /nfs/dbraw/zinc/50/39/00/785503900.db2.gz PELRVAQJWNBHJN-XHSDSOJGSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803649 785547799 /nfs/dbraw/zinc/54/77/99/785547799.db2.gz DUWURBVIXSLVJM-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014438465 786586624 /nfs/dbraw/zinc/58/66/24/786586624.db2.gz TWJWRULODADVGA-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014438465 786586628 /nfs/dbraw/zinc/58/66/28/786586628.db2.gz TWJWRULODADVGA-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014438465 786586631 /nfs/dbraw/zinc/58/66/31/786586631.db2.gz TWJWRULODADVGA-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001113538628 786668420 /nfs/dbraw/zinc/66/84/20/786668420.db2.gz XYXZUPRQOXYCQQ-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175549 787559543 /nfs/dbraw/zinc/55/95/43/787559543.db2.gz IUBUEBVDPHSMJA-SQNIBIBYSA-N 2 1 313.445 2.269 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096363677 787635377 /nfs/dbraw/zinc/63/53/77/787635377.db2.gz BHWNDVGQDWTGCU-KMFMINBZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096363677 787635380 /nfs/dbraw/zinc/63/53/80/787635380.db2.gz BHWNDVGQDWTGCU-KMFMINBZSA-N 2 1 314.433 2.059 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141022 787946557 /nfs/dbraw/zinc/94/65/57/787946557.db2.gz OBNWCLUBYSWGHZ-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141022 787946558 /nfs/dbraw/zinc/94/65/58/787946558.db2.gz OBNWCLUBYSWGHZ-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141022 787946561 /nfs/dbraw/zinc/94/65/61/787946561.db2.gz OBNWCLUBYSWGHZ-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141022 787946565 /nfs/dbraw/zinc/94/65/65/787946565.db2.gz OBNWCLUBYSWGHZ-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063413 787962745 /nfs/dbraw/zinc/96/27/45/787962745.db2.gz KEMCYNMQYUFSSL-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063413 787962749 /nfs/dbraw/zinc/96/27/49/787962749.db2.gz KEMCYNMQYUFSSL-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063413 787962752 /nfs/dbraw/zinc/96/27/52/787962752.db2.gz KEMCYNMQYUFSSL-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220630 788024658 /nfs/dbraw/zinc/02/46/58/788024658.db2.gz WNAJWHUKQOZWRX-HZMVEIRTSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220630 788024668 /nfs/dbraw/zinc/02/46/68/788024668.db2.gz WNAJWHUKQOZWRX-HZMVEIRTSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220630 788024676 /nfs/dbraw/zinc/02/46/76/788024676.db2.gz WNAJWHUKQOZWRX-HZMVEIRTSA-N 2 1 305.466 2.157 20 30 DEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366300 788043514 /nfs/dbraw/zinc/04/35/14/788043514.db2.gz ZWJCLYABMSFDJH-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366300 788043522 /nfs/dbraw/zinc/04/35/22/788043522.db2.gz ZWJCLYABMSFDJH-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366300 788043527 /nfs/dbraw/zinc/04/35/27/788043527.db2.gz ZWJCLYABMSFDJH-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097319030 788059755 /nfs/dbraw/zinc/05/97/55/788059755.db2.gz ZTTDWLMQCLDXAQ-ZACQAIPSSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549747 788127517 /nfs/dbraw/zinc/12/75/17/788127517.db2.gz ZCJPWSCMCJPNBY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274074 788346577 /nfs/dbraw/zinc/34/65/77/788346577.db2.gz AVZOZDULJKIKCK-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020424 789168399 /nfs/dbraw/zinc/16/83/99/789168399.db2.gz GXRMLWPUDNNQIM-GJZGRUSLSA-N 2 1 318.465 2.211 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645884 789838818 /nfs/dbraw/zinc/83/88/18/789838818.db2.gz OSPAPJGLXPQSSE-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813203 790256512 /nfs/dbraw/zinc/25/65/12/790256512.db2.gz IJMWBUZXMGGLOT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813203 790256515 /nfs/dbraw/zinc/25/65/15/790256515.db2.gz IJMWBUZXMGGLOT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813203 790256517 /nfs/dbraw/zinc/25/65/17/790256517.db2.gz IJMWBUZXMGGLOT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074648768 791259231 /nfs/dbraw/zinc/25/92/31/791259231.db2.gz IMLVVDNMKAGRKO-SOUVJXGZSA-N 2 1 313.873 2.191 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098187662 791588596 /nfs/dbraw/zinc/58/85/96/791588596.db2.gz BOALLSQFCUFXEQ-KURKYZTESA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666500 791635816 /nfs/dbraw/zinc/63/58/16/791635816.db2.gz AMNHPTAMPVPQLD-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666500 791635819 /nfs/dbraw/zinc/63/58/19/791635819.db2.gz AMNHPTAMPVPQLD-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666500 791635822 /nfs/dbraw/zinc/63/58/22/791635822.db2.gz AMNHPTAMPVPQLD-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091715627 791741268 /nfs/dbraw/zinc/74/12/68/791741268.db2.gz CZAHPADFGQKURJ-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715627 791741271 /nfs/dbraw/zinc/74/12/71/791741271.db2.gz CZAHPADFGQKURJ-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605948 791775135 /nfs/dbraw/zinc/77/51/35/791775135.db2.gz YLNCMVPPMQRLGB-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605948 791775137 /nfs/dbraw/zinc/77/51/37/791775137.db2.gz YLNCMVPPMQRLGB-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148605948 791775141 /nfs/dbraw/zinc/77/51/41/791775141.db2.gz YLNCMVPPMQRLGB-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956549 791863837 /nfs/dbraw/zinc/86/38/37/791863837.db2.gz PWQCXDAMTZQHAH-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975762 791916982 /nfs/dbraw/zinc/91/69/82/791916982.db2.gz XBHOVEQMXRWVOR-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380320 792897197 /nfs/dbraw/zinc/89/71/97/792897197.db2.gz QRDDWHCYZPVJKW-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380320 792897208 /nfs/dbraw/zinc/89/72/08/792897208.db2.gz QRDDWHCYZPVJKW-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380320 792897217 /nfs/dbraw/zinc/89/72/17/792897217.db2.gz QRDDWHCYZPVJKW-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418990 792910268 /nfs/dbraw/zinc/91/02/68/792910268.db2.gz JVXUSCWPSYJZRH-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418990 792910274 /nfs/dbraw/zinc/91/02/74/792910274.db2.gz JVXUSCWPSYJZRH-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094418990 792910280 /nfs/dbraw/zinc/91/02/80/792910280.db2.gz JVXUSCWPSYJZRH-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277301 793095983 /nfs/dbraw/zinc/09/59/83/793095983.db2.gz AXZGHODJFMCLGW-NUJGCVRESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC001101403629 793144913 /nfs/dbraw/zinc/14/49/13/793144913.db2.gz OCACWQJUBSOJOT-DAYGRLMNSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428670 793611074 /nfs/dbraw/zinc/61/10/74/793611074.db2.gz NXWJQIPZOQEUSJ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396763 794072133 /nfs/dbraw/zinc/07/21/33/794072133.db2.gz IQQJHRLXJWJICZ-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295924 794169772 /nfs/dbraw/zinc/16/97/72/794169772.db2.gz LJWMIRHDBIZOEI-MRXNPFEDSA-N 2 1 309.498 2.252 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528495 794231456 /nfs/dbraw/zinc/23/14/56/794231456.db2.gz HHEXHTLPISFKLU-MRXNPFEDSA-N 2 1 318.465 2.294 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175528494 794231734 /nfs/dbraw/zinc/23/17/34/794231734.db2.gz HHEXHTLPISFKLU-INIZCTEOSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782290 794479433 /nfs/dbraw/zinc/47/94/33/794479433.db2.gz CCTYNSFVWUWHKY-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782290 794479435 /nfs/dbraw/zinc/47/94/35/794479435.db2.gz CCTYNSFVWUWHKY-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782290 794479439 /nfs/dbraw/zinc/47/94/39/794479439.db2.gz CCTYNSFVWUWHKY-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350106 794610003 /nfs/dbraw/zinc/61/00/03/794610003.db2.gz HQMNBXJHPAKWHZ-LNLFQRSKSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177265989 794627969 /nfs/dbraw/zinc/62/79/69/794627969.db2.gz BLJKWYJKESYROR-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579368 794828778 /nfs/dbraw/zinc/82/87/78/794828778.db2.gz KPLQDBWMACCFBB-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768576 794913429 /nfs/dbraw/zinc/91/34/29/794913429.db2.gz CMSWEEUEKZQOHY-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179357432 795097391 /nfs/dbraw/zinc/09/73/91/795097391.db2.gz BXIXKWVSOOKSMC-SFHVURJKSA-N 2 1 321.509 2.398 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179357431 795097814 /nfs/dbraw/zinc/09/78/14/795097814.db2.gz BXIXKWVSOOKSMC-GOSISDBHSA-N 2 1 321.509 2.398 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179591252 795139868 /nfs/dbraw/zinc/13/98/68/795139868.db2.gz RJDVEMZUMMMOIA-IRXDYDNUSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470197 795467664 /nfs/dbraw/zinc/46/76/64/795467664.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470197 795467667 /nfs/dbraw/zinc/46/76/67/795467667.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470197 795467669 /nfs/dbraw/zinc/46/76/69/795467669.db2.gz PAYWHMNJAZKNNG-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001183027138 795792815 /nfs/dbraw/zinc/79/28/15/795792815.db2.gz KBLDRGVEDNCGJP-SFHVURJKSA-N 2 1 313.445 2.154 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001183027138 795792819 /nfs/dbraw/zinc/79/28/19/795792819.db2.gz KBLDRGVEDNCGJP-SFHVURJKSA-N 2 1 313.445 2.154 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184714295 796109072 /nfs/dbraw/zinc/10/90/72/796109072.db2.gz WWJHQWRCDWIMCB-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171769 796202410 /nfs/dbraw/zinc/20/24/10/796202410.db2.gz XYXPPFSJBOANTN-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189755288 796877685 /nfs/dbraw/zinc/87/76/85/796877685.db2.gz IKQOLFJQSRCAEA-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683718 797249554 /nfs/dbraw/zinc/24/95/54/797249554.db2.gz ITMGBUXRZSHXSV-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923257 797285372 /nfs/dbraw/zinc/28/53/72/797285372.db2.gz RUXLIRQIBHGJLT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923257 797285377 /nfs/dbraw/zinc/28/53/77/797285377.db2.gz RUXLIRQIBHGJLT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923257 797285382 /nfs/dbraw/zinc/28/53/82/797285382.db2.gz RUXLIRQIBHGJLT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153432280 797338041 /nfs/dbraw/zinc/33/80/41/797338041.db2.gz ISENKEGCFYLFBN-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153432280 797338047 /nfs/dbraw/zinc/33/80/47/797338047.db2.gz ISENKEGCFYLFBN-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192399244 797385159 /nfs/dbraw/zinc/38/51/59/797385159.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192399244 797385168 /nfs/dbraw/zinc/38/51/68/797385168.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192399244 797385174 /nfs/dbraw/zinc/38/51/74/797385174.db2.gz XEQKNFXEVIQCJR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266364 797702743 /nfs/dbraw/zinc/70/27/43/797702743.db2.gz QBTVRENUFYPQFR-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244559 797716701 /nfs/dbraw/zinc/71/67/01/797716701.db2.gz UOJSGZLAERUHCI-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244559 797716705 /nfs/dbraw/zinc/71/67/05/797716705.db2.gz UOJSGZLAERUHCI-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)c12 ZINC001155459163 797761833 /nfs/dbraw/zinc/76/18/33/797761833.db2.gz OZRQVEBJHKNJNQ-ZDUSSCGKSA-N 2 1 320.400 2.458 20 30 DEEDMP C[N@H+]1CCC[C@@H](CCNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001156381989 797988726 /nfs/dbraw/zinc/98/87/26/797988726.db2.gz YZHDNKYTPQKLEG-AWEZNQCLSA-N 2 1 313.449 2.133 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196023855 797995255 /nfs/dbraw/zinc/99/52/55/797995255.db2.gz DGQLTNBJMDMFHP-MRXNPFEDSA-N 2 1 313.461 2.167 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295996 798036502 /nfs/dbraw/zinc/03/65/02/798036502.db2.gz WVYFACHTFXCKRQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001196295996 798036508 /nfs/dbraw/zinc/03/65/08/798036508.db2.gz WVYFACHTFXCKRQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001196295996 798036514 /nfs/dbraw/zinc/03/65/14/798036514.db2.gz WVYFACHTFXCKRQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021727 798139279 /nfs/dbraw/zinc/13/92/79/798139279.db2.gz FEFOBXOXQKDITF-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109261 798145100 /nfs/dbraw/zinc/14/51/00/798145100.db2.gz KXPLTFMZSZCWAT-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477553 798192932 /nfs/dbraw/zinc/19/29/32/798192932.db2.gz JTWHOAFBCOKCPR-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973540 798319603 /nfs/dbraw/zinc/31/96/03/798319603.db2.gz HJFZXDLIIQPTIA-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491378 798416018 /nfs/dbraw/zinc/41/60/18/798416018.db2.gz PWOANGFHILFYMI-QZTJIDSGSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201229650 798723284 /nfs/dbraw/zinc/72/32/84/798723284.db2.gz FHVGZRRHCHQXNH-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110682745 798964388 /nfs/dbraw/zinc/96/43/88/798964388.db2.gz BANNYYFKDSYNCH-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110682745 798964396 /nfs/dbraw/zinc/96/43/96/798964396.db2.gz BANNYYFKDSYNCH-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110682745 798964401 /nfs/dbraw/zinc/96/44/01/798964401.db2.gz BANNYYFKDSYNCH-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946834 798976045 /nfs/dbraw/zinc/97/60/45/798976045.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161946834 798976048 /nfs/dbraw/zinc/97/60/48/798976048.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161946834 798976051 /nfs/dbraw/zinc/97/60/51/798976051.db2.gz HFMCTXIBSZEECD-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1CC#N ZINC001164212088 799540723 /nfs/dbraw/zinc/54/07/23/799540723.db2.gz XSNYLIWGMWGTQY-UHFFFAOYSA-N 2 1 316.449 2.199 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095441091 799598921 /nfs/dbraw/zinc/59/89/21/799598921.db2.gz NZCLPRCPPCKLAD-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441091 799598927 /nfs/dbraw/zinc/59/89/27/799598927.db2.gz NZCLPRCPPCKLAD-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441091 799598932 /nfs/dbraw/zinc/59/89/32/799598932.db2.gz NZCLPRCPPCKLAD-ICUGJSFKSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095441203 799599330 /nfs/dbraw/zinc/59/93/30/799599330.db2.gz VKMFNHBNGPRUCH-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441203 799599335 /nfs/dbraw/zinc/59/93/35/799599335.db2.gz VKMFNHBNGPRUCH-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441203 799599340 /nfs/dbraw/zinc/59/93/40/799599340.db2.gz VKMFNHBNGPRUCH-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582716 799627231 /nfs/dbraw/zinc/62/72/31/799627231.db2.gz NSGODMYMJIWPRF-HZPDHXFCSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001095498779 799632859 /nfs/dbraw/zinc/63/28/59/799632859.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095498779 799632863 /nfs/dbraw/zinc/63/28/63/799632863.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095498779 799632869 /nfs/dbraw/zinc/63/28/69/799632869.db2.gz DRBMZIFQRMRIMW-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668589 799687912 /nfs/dbraw/zinc/68/79/12/799687912.db2.gz RXAFAEMPABWMLR-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165502229 799738005 /nfs/dbraw/zinc/73/80/05/799738005.db2.gz ZOYWIORTYJMLIC-UHFFFAOYSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641230 800098364 /nfs/dbraw/zinc/09/83/64/800098364.db2.gz PQWSCCSHPBSDEL-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP CC[NH+](CC)CCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203755937 800118182 /nfs/dbraw/zinc/11/81/82/800118182.db2.gz YNDCSVGHKPAJPF-UHFFFAOYSA-N 2 1 300.450 2.018 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791396 800123846 /nfs/dbraw/zinc/12/38/46/800123846.db2.gz IEIQGUUFMCRAGC-HOTGVXAUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206275713 800501111 /nfs/dbraw/zinc/50/11/11/800501111.db2.gz ZHAGYSRDRJIOPB-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207488043 800765833 /nfs/dbraw/zinc/76/58/33/800765833.db2.gz CWIFYALXCHAEKN-INIZCTEOSA-N 2 1 309.454 2.095 20 30 DEEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111160417 800854058 /nfs/dbraw/zinc/85/40/58/800854058.db2.gz WQGPMETVAZKPNV-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111160417 800854065 /nfs/dbraw/zinc/85/40/65/800854065.db2.gz WQGPMETVAZKPNV-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111160417 800854072 /nfs/dbraw/zinc/85/40/72/800854072.db2.gz WQGPMETVAZKPNV-KURKYZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129117 800917401 /nfs/dbraw/zinc/91/74/01/800917401.db2.gz OYHJVPBBUPPPLW-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334751 800957708 /nfs/dbraw/zinc/95/77/08/800957708.db2.gz LXHSAIPXKMWMPI-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340991 800959806 /nfs/dbraw/zinc/95/98/06/800959806.db2.gz SPPJILYYDHGLJY-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127292 801227645 /nfs/dbraw/zinc/22/76/45/801227645.db2.gz VFNHDKNJTHKTNY-IAGOWNOFSA-N 2 1 316.449 2.012 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001229185602 801239295 /nfs/dbraw/zinc/23/92/95/801239295.db2.gz OYOBQFMSNUPJPK-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052724 801356407 /nfs/dbraw/zinc/35/64/07/801356407.db2.gz IOJBMLZIYLVEBR-UHFFFAOYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231216656 801608250 /nfs/dbraw/zinc/60/82/50/801608250.db2.gz MOXMPGFQEWIFNG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231216656 801608257 /nfs/dbraw/zinc/60/82/57/801608257.db2.gz MOXMPGFQEWIFNG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001231216656 801608265 /nfs/dbraw/zinc/60/82/65/801608265.db2.gz MOXMPGFQEWIFNG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323887 801962631 /nfs/dbraw/zinc/96/26/31/801962631.db2.gz NYEVXDAPBKYGAC-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234402267 802369396 /nfs/dbraw/zinc/36/93/96/802369396.db2.gz KHUDBMOWGIUNTI-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877921 802623853 /nfs/dbraw/zinc/62/38/53/802623853.db2.gz QXOABPCXMGNHQO-KZNAEPCWSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962475 802629636 /nfs/dbraw/zinc/62/96/36/802629636.db2.gz FSDQETLICLAITJ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013641 802632722 /nfs/dbraw/zinc/63/27/22/802632722.db2.gz JOSBXOXYVHKRRD-FGTMMUONSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013641 802632726 /nfs/dbraw/zinc/63/27/26/802632726.db2.gz JOSBXOXYVHKRRD-FGTMMUONSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013641 802632729 /nfs/dbraw/zinc/63/27/29/802632729.db2.gz JOSBXOXYVHKRRD-FGTMMUONSA-N 2 1 321.509 2.441 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001222613289 802716868 /nfs/dbraw/zinc/71/68/68/802716868.db2.gz VLIRGYLMDVNDTK-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387869 802786491 /nfs/dbraw/zinc/78/64/91/802786491.db2.gz OJJOLZVDADLACM-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001224576108 802883133 /nfs/dbraw/zinc/88/31/33/802883133.db2.gz JAQKKONGYLRCTJ-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226333949 803093257 /nfs/dbraw/zinc/09/32/57/803093257.db2.gz QIIJUIRDARFJRP-BZUAXINKSA-N 2 1 316.449 2.047 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001226765788 803155097 /nfs/dbraw/zinc/15/50/97/803155097.db2.gz FPFDLPKLBIISEV-RCCFBDPRSA-N 2 1 319.493 2.290 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138706 803324540 /nfs/dbraw/zinc/32/45/40/803324540.db2.gz WTENMKSVPQZAOB-RCCFBDPRSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138227 803324699 /nfs/dbraw/zinc/32/46/99/803324699.db2.gz QZACMWMCDNNSMD-RCCFBDPRSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC001502029373 1059884306 /nfs/dbraw/zinc/88/43/06/1059884306.db2.gz VURBKEVEVCDINT-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001502652784 1060217763 /nfs/dbraw/zinc/21/77/63/1060217763.db2.gz GCZOORYAYQMTJT-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505430578 1060577998 /nfs/dbraw/zinc/57/79/98/1060577998.db2.gz FBDIQHSDDSXUNA-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001505836693 1061019506 /nfs/dbraw/zinc/01/95/06/1061019506.db2.gz IBYNYDUUJHVLQC-QGZVFWFLSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001479302037 1061377572 /nfs/dbraw/zinc/37/75/72/1061377572.db2.gz GWBIWXAXSMWGLG-TWMKSMIVSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001479307497 1061380579 /nfs/dbraw/zinc/38/05/79/1061380579.db2.gz NFSRDIUDAZBNCG-IXDOHACOSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001479527717 1061495626 /nfs/dbraw/zinc/49/56/26/1061495626.db2.gz IUPYTSUADTVVGH-ZWKOTPCHSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)CCC ZINC001479613552 1061520445 /nfs/dbraw/zinc/52/04/45/1061520445.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCC ZINC001479613552 1061520464 /nfs/dbraw/zinc/52/04/64/1061520464.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)CCC ZINC001479613552 1061520484 /nfs/dbraw/zinc/52/04/84/1061520484.db2.gz NEZDYSPEIZNUAH-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479961360 1062111841 /nfs/dbraw/zinc/11/18/41/1062111841.db2.gz CRLGJIWHNYRAFO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479961360 1062111861 /nfs/dbraw/zinc/11/18/61/1062111861.db2.gz CRLGJIWHNYRAFO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001479961360 1062111875 /nfs/dbraw/zinc/11/18/75/1062111875.db2.gz CRLGJIWHNYRAFO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001479961360 1062111890 /nfs/dbraw/zinc/11/18/90/1062111890.db2.gz CRLGJIWHNYRAFO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C(C)(C)C1 ZINC001506750514 1062360928 /nfs/dbraw/zinc/36/09/28/1062360928.db2.gz GMIWOWFAWRQARZ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001506750514 1062360950 /nfs/dbraw/zinc/36/09/50/1062360950.db2.gz GMIWOWFAWRQARZ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)C(C)(C)C1 ZINC001506750514 1062360974 /nfs/dbraw/zinc/36/09/74/1062360974.db2.gz GMIWOWFAWRQARZ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480316449 1062636610 /nfs/dbraw/zinc/63/66/10/1062636610.db2.gz OERRYOCRNCHJDD-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480316449 1062636621 /nfs/dbraw/zinc/63/66/21/1062636621.db2.gz OERRYOCRNCHJDD-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507016323 1062678602 /nfs/dbraw/zinc/67/86/02/1062678602.db2.gz WQXOJOJSVCDMOS-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507162104 1062936818 /nfs/dbraw/zinc/93/68/18/1062936818.db2.gz ONDQVLRSLGIAFJ-GOEBONIOSA-N 2 1 323.868 2.478 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358848 1063150066 /nfs/dbraw/zinc/15/00/66/1063150066.db2.gz XXIOASWPMPEQGH-AEFFLSMTSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001507414580 1063251786 /nfs/dbraw/zinc/25/17/86/1063251786.db2.gz SEROMXHQPMJQKS-HUUCEWRRSA-N 2 1 304.438 2.067 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480823478 1063401047 /nfs/dbraw/zinc/40/10/47/1063401047.db2.gz JRKZTKQLDNGJGX-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480823478 1063401055 /nfs/dbraw/zinc/40/10/55/1063401055.db2.gz JRKZTKQLDNGJGX-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001480823478 1063401060 /nfs/dbraw/zinc/40/10/60/1063401060.db2.gz JRKZTKQLDNGJGX-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827252 1063979606 /nfs/dbraw/zinc/97/96/06/1063979606.db2.gz LZRLMLQCSUBQDR-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494165232 1064152296 /nfs/dbraw/zinc/15/22/96/1064152296.db2.gz CQHIXRKSOMJEPT-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301375 1064204366 /nfs/dbraw/zinc/20/43/66/1064204366.db2.gz CWPFOPSVBSJIOW-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301375 1064204371 /nfs/dbraw/zinc/20/43/71/1064204371.db2.gz CWPFOPSVBSJIOW-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001567738827 1064392509 /nfs/dbraw/zinc/39/25/09/1064392509.db2.gz SVPCBWYJFMHRAE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738827 1064392515 /nfs/dbraw/zinc/39/25/15/1064392515.db2.gz SVPCBWYJFMHRAE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738827 1064392531 /nfs/dbraw/zinc/39/25/31/1064392531.db2.gz SVPCBWYJFMHRAE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001567741400 1064396722 /nfs/dbraw/zinc/39/67/22/1064396722.db2.gz JTSGIDSQHVMADB-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752386 1064403094 /nfs/dbraw/zinc/40/30/94/1064403094.db2.gz QOKJXBJCJHALFS-AEFFLSMTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752386 1064403102 /nfs/dbraw/zinc/40/31/02/1064403102.db2.gz QOKJXBJCJHALFS-AEFFLSMTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752386 1064403109 /nfs/dbraw/zinc/40/31/09/1064403109.db2.gz QOKJXBJCJHALFS-AEFFLSMTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001568004515 1064589557 /nfs/dbraw/zinc/58/95/57/1064589557.db2.gz CCNLYGYWFJEOAC-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568044003 1064614492 /nfs/dbraw/zinc/61/44/92/1064614492.db2.gz ROLQOIHGVIEMPY-QAPCUYQASA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001495051036 1064665711 /nfs/dbraw/zinc/66/57/11/1064665711.db2.gz PGTMYBIUXVCGSQ-HZPDHXFCSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001495188362 1064750720 /nfs/dbraw/zinc/75/07/20/1064750720.db2.gz OCFFVUNCCRTNQA-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001568357838 1064802886 /nfs/dbraw/zinc/80/28/86/1064802886.db2.gz MKRRVLMMTINCJE-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001568438770 1064872752 /nfs/dbraw/zinc/87/27/52/1064872752.db2.gz UEBUSEVAHDBZJF-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001495388552 1064873767 /nfs/dbraw/zinc/87/37/67/1064873767.db2.gz RKVKRWPCETWCEE-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568669856 1065036617 /nfs/dbraw/zinc/03/66/17/1065036617.db2.gz XMWDZISCJMAMNT-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569381606 1065474483 /nfs/dbraw/zinc/47/44/83/1065474483.db2.gz UGISBYHIAKLMRS-MRXNPFEDSA-N 2 1 307.482 2.243 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001569611015 1065621748 /nfs/dbraw/zinc/62/17/48/1065621748.db2.gz YYVSEAQJGJJLJW-RYQLBKOJSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569820838 1065741472 /nfs/dbraw/zinc/74/14/72/1065741472.db2.gz LAUGZZOEMUPNKA-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001496861147 1065762465 /nfs/dbraw/zinc/76/24/65/1065762465.db2.gz FPAXKNHZOGKTHF-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@H]21 ZINC001496861147 1065762477 /nfs/dbraw/zinc/76/24/77/1065762477.db2.gz FPAXKNHZOGKTHF-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001496862561 1065762561 /nfs/dbraw/zinc/76/25/61/1065762561.db2.gz KGEUWMFWPGSZHB-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914379 1065819003 /nfs/dbraw/zinc/81/90/03/1065819003.db2.gz DVULTBZZBNHNNL-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569984149 1065859459 /nfs/dbraw/zinc/85/94/59/1065859459.db2.gz QGPVDDIVDIRXRP-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001498402156 1066682735 /nfs/dbraw/zinc/68/27/35/1066682735.db2.gz YGFVRTQHQAJZHK-HNNXBMFYSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001498402156 1066682738 /nfs/dbraw/zinc/68/27/38/1066682738.db2.gz YGFVRTQHQAJZHK-HNNXBMFYSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001498657599 1066826241 /nfs/dbraw/zinc/82/62/41/1066826241.db2.gz KMDCIZSVDHKSPC-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001578446535 1067104152 /nfs/dbraw/zinc/10/41/52/1067104152.db2.gz ZKLUMJIKLXZPSG-MPGHIAIKSA-N 2 1 301.434 2.289 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267053378 1078531534 /nfs/dbraw/zinc/53/15/34/1078531534.db2.gz NPSJKUBPFFUAPT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066758 1067487925 /nfs/dbraw/zinc/48/79/25/1067487925.db2.gz SOFXIFMWIVNEGF-OALUTQOASA-N 2 1 311.429 2.291 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ccnc1C(C)C ZINC001570542059 1067995624 /nfs/dbraw/zinc/99/56/24/1067995624.db2.gz OCBMJGDHQYWHTF-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001570542059 1067995639 /nfs/dbraw/zinc/99/56/39/1067995639.db2.gz OCBMJGDHQYWHTF-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001570825554 1068131213 /nfs/dbraw/zinc/13/12/13/1068131213.db2.gz UVHLIFKPLYRWTC-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571401534 1068276980 /nfs/dbraw/zinc/27/69/80/1068276980.db2.gz GFBKOXBYXQPVPL-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267245428 1078694572 /nfs/dbraw/zinc/69/45/72/1078694572.db2.gz JUPOQGDTDBUBAB-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668163 1078766394 /nfs/dbraw/zinc/76/63/94/1078766394.db2.gz SLJHRCIUVHORLC-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[C@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CCC[NH2+]1 ZINC001574525634 1069235636 /nfs/dbraw/zinc/23/56/36/1069235636.db2.gz ORLVZXFWMGJNJK-QGZVFWFLSA-N 2 1 319.836 2.486 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001548702249 1072815943 /nfs/dbraw/zinc/81/59/43/1072815943.db2.gz GSVKGPIENZDHHC-JZXOWHBKSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001267564262 1078998156 /nfs/dbraw/zinc/99/81/56/1078998156.db2.gz PDPWGDJWNKGHBR-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267583122 1079082768 /nfs/dbraw/zinc/08/27/68/1079082768.db2.gz KEJJEBLDQXTREW-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001484000891 1079237104 /nfs/dbraw/zinc/23/71/04/1079237104.db2.gz KJZRYOGZPRQDJL-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484058941 1079274536 /nfs/dbraw/zinc/27/45/36/1079274536.db2.gz ZILPVZWELQLLPZ-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484058941 1079274540 /nfs/dbraw/zinc/27/45/40/1079274540.db2.gz ZILPVZWELQLLPZ-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001484058941 1079274545 /nfs/dbraw/zinc/27/45/45/1079274545.db2.gz ZILPVZWELQLLPZ-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001481174573 1079292341 /nfs/dbraw/zinc/29/23/41/1079292341.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001481174573 1079292345 /nfs/dbraw/zinc/29/23/45/1079292345.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001481174573 1079292353 /nfs/dbraw/zinc/29/23/53/1079292353.db2.gz RGAQNJLCSIOGDX-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484161190 1079335881 /nfs/dbraw/zinc/33/58/81/1079335881.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001484161190 1079335882 /nfs/dbraw/zinc/33/58/82/1079335882.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001484161190 1079335883 /nfs/dbraw/zinc/33/58/83/1079335883.db2.gz OFIQKHRNVRFZBI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267646411 1079335408 /nfs/dbraw/zinc/33/54/08/1079335408.db2.gz CVTCMNTUMGXXMF-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484161193 1079336550 /nfs/dbraw/zinc/33/65/50/1079336550.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001484161193 1079336555 /nfs/dbraw/zinc/33/65/55/1079336555.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001484161193 1079336560 /nfs/dbraw/zinc/33/65/60/1079336560.db2.gz OFIQKHRNVRFZBI-MJGOQNOKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001565885113 1075203078 /nfs/dbraw/zinc/20/30/78/1075203078.db2.gz NTJWERUWMBRSME-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001565885113 1075203083 /nfs/dbraw/zinc/20/30/83/1075203083.db2.gz NTJWERUWMBRSME-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001565885113 1075203091 /nfs/dbraw/zinc/20/30/91/1075203091.db2.gz NTJWERUWMBRSME-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339646 1079549750 /nfs/dbraw/zinc/54/97/50/1079549750.db2.gz YXEQGVCJCSSUFM-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001484569383 1079667686 /nfs/dbraw/zinc/66/76/86/1079667686.db2.gz CJPMLJJXNXEHIP-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481400931 1079787013 /nfs/dbraw/zinc/78/70/13/1079787013.db2.gz SWZHMBFGYIWNKD-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481400931 1079787018 /nfs/dbraw/zinc/78/70/18/1079787018.db2.gz SWZHMBFGYIWNKD-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481400931 1079787022 /nfs/dbraw/zinc/78/70/22/1079787022.db2.gz SWZHMBFGYIWNKD-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCCC1 ZINC001268034100 1079856810 /nfs/dbraw/zinc/85/68/10/1079856810.db2.gz ATOUXJUTAFABHB-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCCC1 ZINC001268034100 1079856815 /nfs/dbraw/zinc/85/68/15/1079856815.db2.gz ATOUXJUTAFABHB-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485060959 1079951768 /nfs/dbraw/zinc/95/17/68/1079951768.db2.gz OPNIREQTJDULQQ-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001481516187 1079983327 /nfs/dbraw/zinc/98/33/27/1079983327.db2.gz QCTBIWYEVCWLGG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481516187 1079983331 /nfs/dbraw/zinc/98/33/31/1079983331.db2.gz QCTBIWYEVCWLGG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001481516187 1079983333 /nfs/dbraw/zinc/98/33/33/1079983333.db2.gz QCTBIWYEVCWLGG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268068822 1080014777 /nfs/dbraw/zinc/01/47/77/1080014777.db2.gz OUJQFHOJWWLKLQ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001656376735 1080082106 /nfs/dbraw/zinc/08/21/06/1080082106.db2.gz DTUZAQNOGYKDJP-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001268124224 1080090587 /nfs/dbraw/zinc/09/05/87/1080090587.db2.gz RROXTUPRFWXZQI-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268150428 1080123052 /nfs/dbraw/zinc/12/30/52/1080123052.db2.gz IFVMOPDHDNELLQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001268163307 1080140583 /nfs/dbraw/zinc/14/05/83/1080140583.db2.gz UTCKVQYDRHMILK-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001268181452 1080171160 /nfs/dbraw/zinc/17/11/60/1080171160.db2.gz XSQHEQUGONSINH-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001268214533 1080200921 /nfs/dbraw/zinc/20/09/21/1080200921.db2.gz VLGXNHCJLADBMA-GVDBMIGSSA-N 2 1 309.498 2.413 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001485484060 1080234073 /nfs/dbraw/zinc/23/40/73/1080234073.db2.gz GVYUWRQRTIEIMM-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001485484060 1080234082 /nfs/dbraw/zinc/23/40/82/1080234082.db2.gz GVYUWRQRTIEIMM-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001485484060 1080234092 /nfs/dbraw/zinc/23/40/92/1080234092.db2.gz GVYUWRQRTIEIMM-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001485582528 1080313135 /nfs/dbraw/zinc/31/31/35/1080313135.db2.gz QNTDTCUXWVCKNG-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582528 1080313141 /nfs/dbraw/zinc/31/31/41/1080313141.db2.gz QNTDTCUXWVCKNG-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001485582528 1080313147 /nfs/dbraw/zinc/31/31/47/1080313147.db2.gz QNTDTCUXWVCKNG-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001485582220 1080314196 /nfs/dbraw/zinc/31/41/96/1080314196.db2.gz MXVNBXAIQCWXGB-JKSUJKDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001660690744 1080379882 /nfs/dbraw/zinc/37/98/82/1080379882.db2.gz CYWLBMXVONMXMF-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001660690744 1080379894 /nfs/dbraw/zinc/37/98/94/1080379894.db2.gz CYWLBMXVONMXMF-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001485723658 1080391319 /nfs/dbraw/zinc/39/13/19/1080391319.db2.gz GTVJFBKXQTUUAL-SJLPKXTDSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481734108 1080405117 /nfs/dbraw/zinc/40/51/17/1080405117.db2.gz DDUFXEWVJSZKGY-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268455004 1080499219 /nfs/dbraw/zinc/49/92/19/1080499219.db2.gz WUYAXSYFEZOXIN-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783537 1080503047 /nfs/dbraw/zinc/50/30/47/1080503047.db2.gz WYYAOXHALAJCTG-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783537 1080503052 /nfs/dbraw/zinc/50/30/52/1080503052.db2.gz WYYAOXHALAJCTG-WBVHZDCISA-N 2 1 318.465 2.469 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001268458300 1080522685 /nfs/dbraw/zinc/52/26/85/1080522685.db2.gz KRLLFRZHZFWFAV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001661788138 1080523148 /nfs/dbraw/zinc/52/31/48/1080523148.db2.gz JZCMHWHIDGTKSN-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001661845684 1080531602 /nfs/dbraw/zinc/53/16/02/1080531602.db2.gz AOMBXFXJWVASIX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001661845684 1080531605 /nfs/dbraw/zinc/53/16/05/1080531605.db2.gz AOMBXFXJWVASIX-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001481880853 1080571019 /nfs/dbraw/zinc/57/10/19/1080571019.db2.gz HXAKIUAMUFVUOI-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896499 1080542353 /nfs/dbraw/zinc/54/23/53/1080542353.db2.gz OKMCDHVIZBTGSG-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(=C)C ZINC001661925619 1080545461 /nfs/dbraw/zinc/54/54/61/1080545461.db2.gz LHDICQTWGCCPLC-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(=C)C ZINC001661925619 1080545465 /nfs/dbraw/zinc/54/54/65/1080545465.db2.gz LHDICQTWGCCPLC-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001662315297 1080595433 /nfs/dbraw/zinc/59/54/33/1080595433.db2.gz YLKSNUDTUKVAGN-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001662315298 1080596067 /nfs/dbraw/zinc/59/60/67/1080596067.db2.gz YLKSNUDTUKVAGN-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662690651 1080635162 /nfs/dbraw/zinc/63/51/62/1080635162.db2.gz JDBGCINLUQAZSI-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481957882 1080644518 /nfs/dbraw/zinc/64/45/18/1080644518.db2.gz KTGDPRMQBHDUFC-LPHOPBHVSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001665871362 1081091953 /nfs/dbraw/zinc/09/19/53/1081091953.db2.gz HHCDZCKMTZUHSN-QZTJIDSGSA-N 2 1 315.461 2.187 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001666389564 1081149626 /nfs/dbraw/zinc/14/96/26/1081149626.db2.gz JSPGKOSIKYWZJY-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001269631213 1081314959 /nfs/dbraw/zinc/31/49/59/1081314959.db2.gz WHVOFNNLFXHRMW-MPGHIAIKSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(CC)CC)C1 ZINC000950534094 1081360449 /nfs/dbraw/zinc/36/04/49/1081360449.db2.gz RPIIMWPOELRXRP-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC(CC)CC)C1 ZINC000950534094 1081360454 /nfs/dbraw/zinc/36/04/54/1081360454.db2.gz RPIIMWPOELRXRP-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001671677963 1081532606 /nfs/dbraw/zinc/53/26/06/1081532606.db2.gz GVHCOYBXAKTGDE-QGZVFWFLSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001671677963 1081532612 /nfs/dbraw/zinc/53/26/12/1081532612.db2.gz GVHCOYBXAKTGDE-QGZVFWFLSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001671843141 1081542867 /nfs/dbraw/zinc/54/28/67/1081542867.db2.gz SHPRWJVLWYZTJV-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001673470823 1081773205 /nfs/dbraw/zinc/77/32/05/1081773205.db2.gz BLSYOOYGBRXALO-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001673470823 1081773208 /nfs/dbraw/zinc/77/32/08/1081773208.db2.gz BLSYOOYGBRXALO-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001673470823 1081773210 /nfs/dbraw/zinc/77/32/10/1081773210.db2.gz BLSYOOYGBRXALO-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674504604 1081882867 /nfs/dbraw/zinc/88/28/67/1081882867.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504604 1081882876 /nfs/dbraw/zinc/88/28/76/1081882876.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674504604 1081882885 /nfs/dbraw/zinc/88/28/85/1081882885.db2.gz FYZAZWMKCFIYRZ-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271285355 1082004738 /nfs/dbraw/zinc/00/47/38/1082004738.db2.gz FFBIRGSABWCTHE-CVEARBPZSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266466725 1082056713 /nfs/dbraw/zinc/05/67/13/1082056713.db2.gz UMWDNFZQJIYLQF-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266466725 1082056719 /nfs/dbraw/zinc/05/67/19/1082056719.db2.gz UMWDNFZQJIYLQF-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266466725 1082056726 /nfs/dbraw/zinc/05/67/26/1082056726.db2.gz UMWDNFZQJIYLQF-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001266467991 1082057711 /nfs/dbraw/zinc/05/77/11/1082057711.db2.gz HPJPUBFOPMXZAU-OAHLLOKOSA-N 2 1 304.438 2.083 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001271765144 1082148783 /nfs/dbraw/zinc/14/87/83/1082148783.db2.gz TWUBNIRNCILBJG-XLAORIBOSA-N 2 1 321.509 2.415 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001671569752 1082208000 /nfs/dbraw/zinc/20/80/00/1082208000.db2.gz MZJRCGMSZPGFGN-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001266617669 1082219792 /nfs/dbraw/zinc/21/97/92/1082219792.db2.gz SCBGIOYXXQFPQX-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001272016635 1082271935 /nfs/dbraw/zinc/27/19/35/1082271935.db2.gz SRLLIGOTUXXXJB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001272016635 1082271937 /nfs/dbraw/zinc/27/19/37/1082271937.db2.gz SRLLIGOTUXXXJB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001272016635 1082271942 /nfs/dbraw/zinc/27/19/42/1082271942.db2.gz SRLLIGOTUXXXJB-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661286 1082441790 /nfs/dbraw/zinc/44/17/90/1082441790.db2.gz DFHLAWRXTZOFIV-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661286 1082441791 /nfs/dbraw/zinc/44/17/91/1082441791.db2.gz DFHLAWRXTZOFIV-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661286 1082441794 /nfs/dbraw/zinc/44/17/94/1082441794.db2.gz DFHLAWRXTZOFIV-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395793 /nfs/dbraw/zinc/39/57/93/1083395793.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395804 /nfs/dbraw/zinc/39/58/04/1083395804.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438449 1083395815 /nfs/dbraw/zinc/39/58/15/1083395815.db2.gz AUIOPTUOEGSNLQ-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442766 1083398151 /nfs/dbraw/zinc/39/81/51/1083398151.db2.gz OQXGPENTCACQDB-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442766 1083398160 /nfs/dbraw/zinc/39/81/60/1083398160.db2.gz OQXGPENTCACQDB-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442766 1083398167 /nfs/dbraw/zinc/39/81/67/1083398167.db2.gz OQXGPENTCACQDB-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615493 1083521735 /nfs/dbraw/zinc/52/17/35/1083521735.db2.gz DIKKEVVZTLZTFL-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615493 1083521743 /nfs/dbraw/zinc/52/17/43/1083521743.db2.gz DIKKEVVZTLZTFL-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615493 1083521747 /nfs/dbraw/zinc/52/17/47/1083521747.db2.gz DIKKEVVZTLZTFL-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001277706925 1084104775 /nfs/dbraw/zinc/10/47/75/1084104775.db2.gz NJBXJUMBUZDLKB-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001277735176 1084120275 /nfs/dbraw/zinc/12/02/75/1084120275.db2.gz LVIWHCAFWWQTTO-QZTJIDSGSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491315006 1084228942 /nfs/dbraw/zinc/22/89/42/1084228942.db2.gz VMPAXZIWRWDFPN-ZBRFXRBCSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491315006 1084228949 /nfs/dbraw/zinc/22/89/49/1084228949.db2.gz VMPAXZIWRWDFPN-ZBRFXRBCSA-N 2 1 319.493 2.260 20 30 DEEDMP N#CCCC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277943013 1084419593 /nfs/dbraw/zinc/41/95/93/1084419593.db2.gz JYQYTAAZSSLSJB-UHFFFAOYSA-N 2 1 301.438 2.391 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400646 /nfs/dbraw/zinc/40/06/46/1085400646.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400651 /nfs/dbraw/zinc/40/06/51/1085400651.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001486515855 1085400655 /nfs/dbraw/zinc/40/06/55/1085400655.db2.gz RYGVYOKTPFDLCF-SFHVURJKSA-N 2 1 323.456 2.133 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000965314387 1085589343 /nfs/dbraw/zinc/58/93/43/1085589343.db2.gz UEISFXQPTDGYIJ-UHFFFAOYSA-N 2 1 316.449 2.210 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273100678 1086177645 /nfs/dbraw/zinc/17/76/45/1086177645.db2.gz BJZCQNYVSLRQMU-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCC1 ZINC001273105589 1086201050 /nfs/dbraw/zinc/20/10/50/1086201050.db2.gz DEZOPFYEEMTEMF-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963319156 1086406608 /nfs/dbraw/zinc/40/66/08/1086406608.db2.gz IVEWCCPPFUUPLG-OFLPRAFFSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000963338195 1086413758 /nfs/dbraw/zinc/41/37/58/1086413758.db2.gz SGHIENQDFAGGHR-SJJHQCBESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963933193 1086602292 /nfs/dbraw/zinc/60/22/92/1086602292.db2.gz FYSMMSOHGFCQPB-FIXVGMIGSA-N 2 1 319.493 2.167 20 30 DEEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273145117 1086868108 /nfs/dbraw/zinc/86/81/08/1086868108.db2.gz UUPOKHNUBQCFIR-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145117 1086868113 /nfs/dbraw/zinc/86/81/13/1086868113.db2.gz UUPOKHNUBQCFIR-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145117 1086868117 /nfs/dbraw/zinc/86/81/17/1086868117.db2.gz UUPOKHNUBQCFIR-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080754544 1089172334 /nfs/dbraw/zinc/17/23/34/1089172334.db2.gz PBPCDOFGLVAPLD-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080754544 1089172344 /nfs/dbraw/zinc/17/23/44/1089172344.db2.gz PBPCDOFGLVAPLD-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080754544 1089172354 /nfs/dbraw/zinc/17/23/54/1089172354.db2.gz PBPCDOFGLVAPLD-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082783407 1090077303 /nfs/dbraw/zinc/07/73/03/1090077303.db2.gz WMRYCLURZUWIBD-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599740 1090342941 /nfs/dbraw/zinc/34/29/41/1090342941.db2.gz WUORQLXUCJCBKX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599740 1090342945 /nfs/dbraw/zinc/34/29/45/1090342945.db2.gz WUORQLXUCJCBKX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599740 1090342951 /nfs/dbraw/zinc/34/29/51/1090342951.db2.gz WUORQLXUCJCBKX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608932 1090349011 /nfs/dbraw/zinc/34/90/11/1090349011.db2.gz PPSVMEYGBDBLNL-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608932 1090349019 /nfs/dbraw/zinc/34/90/19/1090349019.db2.gz PPSVMEYGBDBLNL-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084608932 1090349028 /nfs/dbraw/zinc/34/90/28/1090349028.db2.gz PPSVMEYGBDBLNL-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972348 1090554635 /nfs/dbraw/zinc/55/46/35/1090554635.db2.gz XURXAELAOXKWSL-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972348 1090554640 /nfs/dbraw/zinc/55/46/40/1090554640.db2.gz XURXAELAOXKWSL-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972348 1090554644 /nfs/dbraw/zinc/55/46/44/1090554644.db2.gz XURXAELAOXKWSL-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134079 /nfs/dbraw/zinc/13/40/79/1091134079.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134085 /nfs/dbraw/zinc/13/40/85/1091134085.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276034673 1091134095 /nfs/dbraw/zinc/13/40/95/1091134095.db2.gz AYGFXZMGDCXRAO-HDICACEKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001276037006 1091138242 /nfs/dbraw/zinc/13/82/42/1091138242.db2.gz XSSXXBFITCXAAZ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274270363 1091158803 /nfs/dbraw/zinc/15/88/03/1091158803.db2.gz QQJFMWPIDDFZAE-GOSISDBHSA-N 2 1 310.401 2.316 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274270363 1091158809 /nfs/dbraw/zinc/15/88/09/1091158809.db2.gz QQJFMWPIDDFZAE-GOSISDBHSA-N 2 1 310.401 2.316 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001274412536 1091230502 /nfs/dbraw/zinc/23/05/02/1091230502.db2.gz GUAUBQSKJWWEBE-TUYSUELWSA-N 2 1 307.482 2.478 20 30 DEEDMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001274430117 1091238183 /nfs/dbraw/zinc/23/81/83/1091238183.db2.gz KJVTVTZTMZVXGR-CSLAMCDYSA-N 2 1 305.466 2.232 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275109242 1091563531 /nfs/dbraw/zinc/56/35/31/1091563531.db2.gz YDHPUHFKZYVLMM-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273495196 1091882867 /nfs/dbraw/zinc/88/28/67/1091882867.db2.gz QCRFULPAAMYFFE-SFHVURJKSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948772284 1091927042 /nfs/dbraw/zinc/92/70/42/1091927042.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948772284 1091927051 /nfs/dbraw/zinc/92/70/51/1091927051.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948772284 1091927056 /nfs/dbraw/zinc/92/70/56/1091927056.db2.gz VIOKDUNFWVZQIO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001273572194 1091930324 /nfs/dbraw/zinc/93/03/24/1091930324.db2.gz VUBVTSSXTAJMQR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001273572194 1091930332 /nfs/dbraw/zinc/93/03/32/1091930332.db2.gz VUBVTSSXTAJMQR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001273572194 1091930340 /nfs/dbraw/zinc/93/03/40/1091930340.db2.gz VUBVTSSXTAJMQR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001489327598 1093022267 /nfs/dbraw/zinc/02/22/67/1093022267.db2.gz AGSHGRMKCKGITN-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197248 1093244478 /nfs/dbraw/zinc/24/44/78/1093244478.db2.gz WUHXUKRKNZHCQK-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001490774872 1093523452 /nfs/dbraw/zinc/52/34/52/1093523452.db2.gz SQGFYFFEIRSFMJ-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001490774872 1093523466 /nfs/dbraw/zinc/52/34/66/1093523466.db2.gz SQGFYFFEIRSFMJ-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001490774872 1093523474 /nfs/dbraw/zinc/52/34/74/1093523474.db2.gz SQGFYFFEIRSFMJ-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001278064254 1138520226 /nfs/dbraw/zinc/52/02/26/1138520226.db2.gz LRKQBRYYQNWXQN-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001316655099 1139087957 /nfs/dbraw/zinc/08/79/57/1139087957.db2.gz KLEYJMJNEZHQLI-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001318475205 1140342681 /nfs/dbraw/zinc/34/26/81/1140342681.db2.gz YYFNHPZIYVVBQX-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001318684949 1140385555 /nfs/dbraw/zinc/38/55/55/1140385555.db2.gz CCLJPSCKAPHGRX-FUHWJXTLSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001318806093 1140423286 /nfs/dbraw/zinc/42/32/86/1140423286.db2.gz REDBUHCLNGPOOU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001319375477 1140558267 /nfs/dbraw/zinc/55/82/67/1140558267.db2.gz YXXGOLBUJSHDTC-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319918224 1140803686 /nfs/dbraw/zinc/80/36/86/1140803686.db2.gz ODXBDNQMFNBITQ-SJORKVTESA-N 2 1 321.509 2.251 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319918224 1140803688 /nfs/dbraw/zinc/80/36/88/1140803688.db2.gz ODXBDNQMFNBITQ-SJORKVTESA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001320090898 1140820438 /nfs/dbraw/zinc/82/04/38/1140820438.db2.gz FADLSQUJEUEBDY-IBGZPJMESA-N 2 1 315.461 2.215 20 30 DEEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246023365 1140848550 /nfs/dbraw/zinc/84/85/50/1140848550.db2.gz RKGBOWZFMYMUKH-BBWFWOEESA-N 2 1 300.487 2.130 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001278496203 1141652097 /nfs/dbraw/zinc/65/20/97/1141652097.db2.gz YNFIHHUURUMKGU-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CCCCCC1 ZINC001323721435 1141880234 /nfs/dbraw/zinc/88/02/34/1141880234.db2.gz HRPDBONALXLNAA-GOSISDBHSA-N 2 1 321.509 2.347 20 30 DEEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662232 1143303447 /nfs/dbraw/zinc/30/34/47/1143303447.db2.gz DFMLVEPFSYSWKM-YDZRNGNQSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662232 1143303457 /nfs/dbraw/zinc/30/34/57/1143303457.db2.gz DFMLVEPFSYSWKM-YDZRNGNQSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662232 1143303465 /nfs/dbraw/zinc/30/34/65/1143303465.db2.gz DFMLVEPFSYSWKM-YDZRNGNQSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263849431 1144410818 /nfs/dbraw/zinc/41/08/18/1144410818.db2.gz JJVPFJXNVLJXCQ-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001264127449 1144477323 /nfs/dbraw/zinc/47/73/23/1144477323.db2.gz FTURWJGQFNCRGN-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264194832 1144504338 /nfs/dbraw/zinc/50/43/38/1144504338.db2.gz GMESRFBAFVUERZ-HZPDHXFCSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001264372557 1144516264 /nfs/dbraw/zinc/51/62/64/1144516264.db2.gz HSRPRALHRHKZNI-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001264372557 1144516266 /nfs/dbraw/zinc/51/62/66/1144516266.db2.gz HSRPRALHRHKZNI-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264372557 1144516270 /nfs/dbraw/zinc/51/62/70/1144516270.db2.gz HSRPRALHRHKZNI-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001264701549 1144597202 /nfs/dbraw/zinc/59/72/02/1144597202.db2.gz YDZXREMLIIIYPY-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001264701549 1144597209 /nfs/dbraw/zinc/59/72/09/1144597209.db2.gz YDZXREMLIIIYPY-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1C ZINC001264701549 1144597213 /nfs/dbraw/zinc/59/72/13/1144597213.db2.gz YDZXREMLIIIYPY-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001264745467 1144605016 /nfs/dbraw/zinc/60/50/16/1144605016.db2.gz HIPFGFHSVUHYAK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001264745467 1144605019 /nfs/dbraw/zinc/60/50/19/1144605019.db2.gz HIPFGFHSVUHYAK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001265085204 1144639844 /nfs/dbraw/zinc/63/98/44/1144639844.db2.gz BQVFRRSQJQSHSM-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001265177399 1144660824 /nfs/dbraw/zinc/66/08/24/1144660824.db2.gz RGPYSVQNNIGNND-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265177399 1144660827 /nfs/dbraw/zinc/66/08/27/1144660827.db2.gz RGPYSVQNNIGNND-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265177399 1144660829 /nfs/dbraw/zinc/66/08/29/1144660829.db2.gz RGPYSVQNNIGNND-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265503105 1144707680 /nfs/dbraw/zinc/70/76/80/1144707680.db2.gz IZXFMVGVDVABGL-BRWVUGGUSA-N 2 1 301.434 2.102 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526394 1144709224 /nfs/dbraw/zinc/70/92/24/1144709224.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526394 1144709227 /nfs/dbraw/zinc/70/92/27/1144709227.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526394 1144709229 /nfs/dbraw/zinc/70/92/29/1144709229.db2.gz ZOPTVIPJJLPEPN-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001265554029 1144711786 /nfs/dbraw/zinc/71/17/86/1144711786.db2.gz KOJBJOCGNLAWTR-SOLBZPMBSA-N 2 1 317.477 2.044 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265697167 1144730152 /nfs/dbraw/zinc/73/01/52/1144730152.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697167 1144730155 /nfs/dbraw/zinc/73/01/55/1144730155.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697167 1144730158 /nfs/dbraw/zinc/73/01/58/1144730158.db2.gz PCXOSJLRGMCJGI-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001265862703 1144748844 /nfs/dbraw/zinc/74/88/44/1144748844.db2.gz HWCZZOOLRVINCC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001265862703 1144748846 /nfs/dbraw/zinc/74/88/46/1144748846.db2.gz HWCZZOOLRVINCC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001265862703 1144748848 /nfs/dbraw/zinc/74/88/48/1144748848.db2.gz HWCZZOOLRVINCC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266067096 1144802222 /nfs/dbraw/zinc/80/22/22/1144802222.db2.gz IOZFQCLNDIAIJO-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266099382 1144805339 /nfs/dbraw/zinc/80/53/39/1144805339.db2.gz FGPYXTREXSOQQZ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266099382 1144805340 /nfs/dbraw/zinc/80/53/40/1144805340.db2.gz FGPYXTREXSOQQZ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266099382 1144805341 /nfs/dbraw/zinc/80/53/41/1144805341.db2.gz FGPYXTREXSOQQZ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396283 1144821887 /nfs/dbraw/zinc/82/18/87/1144821887.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396283 1144821888 /nfs/dbraw/zinc/82/18/88/1144821888.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396283 1144821889 /nfs/dbraw/zinc/82/18/89/1144821889.db2.gz RZXQPOSTUHCFCW-TVFCKZIOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001316601186 1144831495 /nfs/dbraw/zinc/83/14/95/1144831495.db2.gz NWEKHMNAQOHCHJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001316601186 1144831496 /nfs/dbraw/zinc/83/14/96/1144831496.db2.gz NWEKHMNAQOHCHJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001316601186 1144831497 /nfs/dbraw/zinc/83/14/97/1144831497.db2.gz NWEKHMNAQOHCHJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001280129329 1144832449 /nfs/dbraw/zinc/83/24/49/1144832449.db2.gz VSXIXUUGPFIYFU-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001280356298 1144836468 /nfs/dbraw/zinc/83/64/68/1144836468.db2.gz CDCYFPIETONWPN-MAUKXSAKSA-N 2 1 315.461 2.481 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001280367976 1144836953 /nfs/dbraw/zinc/83/69/53/1144836953.db2.gz YATWMPGKJJGJRS-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746997 1144852536 /nfs/dbraw/zinc/85/25/36/1144852536.db2.gz NAMSLFXAYFZMQC-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001280864500 1144860255 /nfs/dbraw/zinc/86/02/55/1144860255.db2.gz PRQTWWGVUZZRSP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001280864500 1144860256 /nfs/dbraw/zinc/86/02/56/1144860256.db2.gz PRQTWWGVUZZRSP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001280864500 1144860257 /nfs/dbraw/zinc/86/02/57/1144860257.db2.gz PRQTWWGVUZZRSP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001281429965 1144888977 /nfs/dbraw/zinc/88/89/77/1144888977.db2.gz MKZZCDXGWXGZIA-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001281429966 1144889031 /nfs/dbraw/zinc/88/90/31/1144889031.db2.gz MKZZCDXGWXGZIA-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001281931967 1144920637 /nfs/dbraw/zinc/92/06/37/1144920637.db2.gz HEZYXBVAWFGNBY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931967 1144920638 /nfs/dbraw/zinc/92/06/38/1144920638.db2.gz HEZYXBVAWFGNBY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931967 1144920639 /nfs/dbraw/zinc/92/06/39/1144920639.db2.gz HEZYXBVAWFGNBY-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001282960077 1145215037 /nfs/dbraw/zinc/21/50/37/1145215037.db2.gz XRXNJSNUNSHQAZ-RCCFBDPRSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283101133 1145267039 /nfs/dbraw/zinc/26/70/39/1145267039.db2.gz DKLMUPRFWOTUMA-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001284057608 1145779309 /nfs/dbraw/zinc/77/93/09/1145779309.db2.gz NHBZKSZNLOTZIQ-AEFFLSMTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284057608 1145779310 /nfs/dbraw/zinc/77/93/10/1145779310.db2.gz NHBZKSZNLOTZIQ-AEFFLSMTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284057608 1145779312 /nfs/dbraw/zinc/77/93/12/1145779312.db2.gz NHBZKSZNLOTZIQ-AEFFLSMTSA-N 2 1 305.466 2.160 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001365272256 1145834276 /nfs/dbraw/zinc/83/42/76/1145834276.db2.gz VSTAGTTXAUORIR-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001365272256 1145834277 /nfs/dbraw/zinc/83/42/77/1145834277.db2.gz VSTAGTTXAUORIR-SJLPKXTDSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491834917 1146908676 /nfs/dbraw/zinc/90/86/76/1146908676.db2.gz PZHAHZYHLZMECE-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317422666 1147373615 /nfs/dbraw/zinc/37/36/15/1147373615.db2.gz IGTFDLADXOODLX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317422666 1147373621 /nfs/dbraw/zinc/37/36/21/1147373621.db2.gz IGTFDLADXOODLX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001317422666 1147373623 /nfs/dbraw/zinc/37/36/23/1147373623.db2.gz IGTFDLADXOODLX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCC)C1 ZINC001317045185 1147652333 /nfs/dbraw/zinc/65/23/33/1147652333.db2.gz ONJJTUFIDWEXRP-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCC)C1 ZINC001317045185 1147652335 /nfs/dbraw/zinc/65/23/35/1147652335.db2.gz ONJJTUFIDWEXRP-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCC)C1 ZINC001317045185 1147652337 /nfs/dbraw/zinc/65/23/37/1147652337.db2.gz ONJJTUFIDWEXRP-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCCC)C1 ZINC001317045185 1147652339 /nfs/dbraw/zinc/65/23/39/1147652339.db2.gz ONJJTUFIDWEXRP-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001317050227 1147653357 /nfs/dbraw/zinc/65/33/57/1147653357.db2.gz PUDROUMWTBOWMX-HDICACEKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317179865 1147672135 /nfs/dbraw/zinc/67/21/35/1147672135.db2.gz YFOOGKJUACAACZ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317179865 1147672137 /nfs/dbraw/zinc/67/21/37/1147672137.db2.gz YFOOGKJUACAACZ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317179865 1147672138 /nfs/dbraw/zinc/67/21/38/1147672138.db2.gz YFOOGKJUACAACZ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317407843 1147702381 /nfs/dbraw/zinc/70/23/81/1147702381.db2.gz ZGPJJMQGWCTIFM-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317422627 1147704907 /nfs/dbraw/zinc/70/49/07/1147704907.db2.gz HTQISNKBYIOQIM-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422627 1147704909 /nfs/dbraw/zinc/70/49/09/1147704909.db2.gz HTQISNKBYIOQIM-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422627 1147704911 /nfs/dbraw/zinc/70/49/11/1147704911.db2.gz HTQISNKBYIOQIM-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001317695327 1147745146 /nfs/dbraw/zinc/74/51/46/1147745146.db2.gz NJJOHOKFXIUEPY-UHFFFAOYSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317791141 1147752920 /nfs/dbraw/zinc/75/29/20/1147752920.db2.gz ZQTMUWLYIACPLK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317791141 1147752921 /nfs/dbraw/zinc/75/29/21/1147752921.db2.gz ZQTMUWLYIACPLK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317791141 1147752923 /nfs/dbraw/zinc/75/29/23/1147752923.db2.gz ZQTMUWLYIACPLK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001317882794 1147760255 /nfs/dbraw/zinc/76/02/55/1147760255.db2.gz TVLPKOGLABGXGJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001317882794 1147760256 /nfs/dbraw/zinc/76/02/56/1147760256.db2.gz TVLPKOGLABGXGJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317882794 1147760258 /nfs/dbraw/zinc/76/02/58/1147760258.db2.gz TVLPKOGLABGXGJ-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318347006 1147814209 /nfs/dbraw/zinc/81/42/09/1147814209.db2.gz NNPREAWRDHSXTP-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324752216 1147839767 /nfs/dbraw/zinc/83/97/67/1147839767.db2.gz PWVMZHIKXRZFMA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001325656453 1147977221 /nfs/dbraw/zinc/97/72/21/1147977221.db2.gz OZQRQHYLWRTQJC-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001326899381 1148284473 /nfs/dbraw/zinc/28/44/73/1148284473.db2.gz OASHIFZTLVLXRZ-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000442795915 283059617 /nfs/dbraw/zinc/05/96/17/283059617.db2.gz SJOANCDHSCENJO-YDZRNGNQSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000442795915 283059619 /nfs/dbraw/zinc/05/96/19/283059619.db2.gz SJOANCDHSCENJO-YDZRNGNQSA-N 2 1 313.445 2.151 20 30 DEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000180997724 199238669 /nfs/dbraw/zinc/23/86/69/199238669.db2.gz BWJAKUGNNFSKDU-FQEVSTJZSA-N 2 1 321.424 2.415 20 30 DEEDMP C[N@@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598715437 359303306 /nfs/dbraw/zinc/30/33/06/359303306.db2.gz QKRRDSVCZCLUNZ-KRWDZBQOSA-N 2 1 303.450 2.399 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000602595870 360448253 /nfs/dbraw/zinc/44/82/53/360448253.db2.gz FKKASSPWPJQINC-CRAIPNDOSA-N 2 1 301.434 2.283 20 30 DEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000447545535 239016190 /nfs/dbraw/zinc/01/61/90/239016190.db2.gz XLMUDISJVODNEH-QYZOEREBSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000447545535 239016199 /nfs/dbraw/zinc/01/61/99/239016199.db2.gz XLMUDISJVODNEH-QYZOEREBSA-N 2 1 313.445 2.295 20 30 DEEDMP N#Cc1ccc(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867464 133256350 /nfs/dbraw/zinc/25/63/50/133256350.db2.gz YGRNEHFKCKVFLS-CQSZACIVSA-N 2 1 309.373 2.099 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118841597 401911714 /nfs/dbraw/zinc/91/17/14/401911714.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841597 401911715 /nfs/dbraw/zinc/91/17/15/401911715.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841597 401911719 /nfs/dbraw/zinc/91/17/19/401911719.db2.gz OERXKWSKIGMFJB-OAHLLOKOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(OC)cc1 ZINC000104176823 402199734 /nfs/dbraw/zinc/19/97/34/402199734.db2.gz JSJJKDCOGUQUNH-MRXNPFEDSA-N 2 1 318.465 2.016 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)N1 ZINC000262639647 402728593 /nfs/dbraw/zinc/72/85/93/402728593.db2.gz HNQYFNZPQIZIGS-HUUCEWRRSA-N 2 1 300.450 2.498 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680329 402729586 /nfs/dbraw/zinc/72/95/86/402729586.db2.gz VTJHDCQHYCIUJY-IFUGULHKSA-N 2 1 324.831 2.409 20 30 DEEDMP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](c2ccccc2)C1 ZINC000329062577 404216827 /nfs/dbraw/zinc/21/68/27/404216827.db2.gz ZOUIQEXQQANXOI-ZACQAIPSSA-N 2 1 324.428 2.500 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)C2 ZINC000329495343 404355592 /nfs/dbraw/zinc/35/55/92/404355592.db2.gz FQGOLVKWULQUHU-DETPVDSQSA-N 2 1 302.422 2.193 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)C2 ZINC000329495343 404355599 /nfs/dbraw/zinc/35/55/99/404355599.db2.gz FQGOLVKWULQUHU-DETPVDSQSA-N 2 1 302.422 2.193 20 30 DEEDMP CN1CCC([N@@H+]2CC[C@H](Nc3c(C#N)cccc3C#N)C2)CC1 ZINC000365461955 404667178 /nfs/dbraw/zinc/66/71/78/404667178.db2.gz PGZVIHCYOCMVFP-INIZCTEOSA-N 2 1 309.417 2.010 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000357751203 404742874 /nfs/dbraw/zinc/74/28/74/404742874.db2.gz UCWAKIOLFUODCH-MRXNPFEDSA-N 2 1 324.513 2.447 20 30 DEEDMP C=CC[N@H+](CCOC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000361643036 405178528 /nfs/dbraw/zinc/17/85/28/405178528.db2.gz LFCIUUVAFNDZRG-UHFFFAOYSA-N 2 1 317.477 2.463 20 30 DEEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000421362569 405474115 /nfs/dbraw/zinc/47/41/15/405474115.db2.gz JNFZQYFBHQYUFR-INIZCTEOSA-N 2 1 305.397 2.024 20 30 DEEDMP C=C(CC)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459085706 405737411 /nfs/dbraw/zinc/73/74/11/405737411.db2.gz VROFSGPBNSWSQV-MRXNPFEDSA-N 2 1 310.486 2.010 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000491714402 406683607 /nfs/dbraw/zinc/68/36/07/406683607.db2.gz GLIVYLTWSNBCNQ-HNNXBMFYSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000491714402 406683612 /nfs/dbraw/zinc/68/36/12/406683612.db2.gz GLIVYLTWSNBCNQ-HNNXBMFYSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000491818711 406736073 /nfs/dbraw/zinc/73/60/73/406736073.db2.gz ZMZTYWFLJIYWJJ-MRXNPFEDSA-N 2 1 321.852 2.014 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000491818711 406736077 /nfs/dbraw/zinc/73/60/77/406736077.db2.gz ZMZTYWFLJIYWJJ-MRXNPFEDSA-N 2 1 321.852 2.014 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898556 782030142 /nfs/dbraw/zinc/03/01/42/782030142.db2.gz KMPJTFULIWNZRQ-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898556 782030150 /nfs/dbraw/zinc/03/01/50/782030150.db2.gz KMPJTFULIWNZRQ-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000664016954 425289572 /nfs/dbraw/zinc/28/95/72/425289572.db2.gz TVBHXDVCHROPCO-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000664016955 425290236 /nfs/dbraw/zinc/29/02/36/425290236.db2.gz TVBHXDVCHROPCO-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCCn1cc(CNCCn2c(C)nc3ccccc32)nn1 ZINC000657295616 425296304 /nfs/dbraw/zinc/29/63/04/425296304.db2.gz FGGFXPNDDKKUDM-UHFFFAOYSA-N 2 1 310.405 2.302 20 30 DEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000657872342 425412552 /nfs/dbraw/zinc/41/25/52/425412552.db2.gz NCNNFCMIQCMJKQ-IKGGRYGDSA-N 2 1 307.482 2.298 20 30 DEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657884360 425414082 /nfs/dbraw/zinc/41/40/82/425414082.db2.gz RQAGEKXQXCSMSD-GUDVDZBRSA-N 2 1 321.509 2.117 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662293015 425616673 /nfs/dbraw/zinc/61/66/73/425616673.db2.gz IHLAWXCCUUTWIG-MRXNPFEDSA-N 2 1 303.454 2.066 20 30 DEEDMP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730908 425723935 /nfs/dbraw/zinc/72/39/35/425723935.db2.gz URQGBHUUJWGWHU-QFBILLFUSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000571671040 335118490 /nfs/dbraw/zinc/11/84/90/335118490.db2.gz OUIDRCKCUPAMPU-GOSISDBHSA-N 2 1 318.461 2.283 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000571671041 335118568 /nfs/dbraw/zinc/11/85/68/335118568.db2.gz OUIDRCKCUPAMPU-SFHVURJKSA-N 2 1 318.461 2.283 20 30 DEEDMP C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)N1 ZINC000261556219 341360432 /nfs/dbraw/zinc/36/04/32/341360432.db2.gz VSRMQJHQOZAURP-DOTOQJQBSA-N 2 1 300.450 2.226 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001376914988 1159844724 /nfs/dbraw/zinc/84/47/24/1159844724.db2.gz VHTUOHNQSSMBLH-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001330061172 1149043793 /nfs/dbraw/zinc/04/37/93/1149043793.db2.gz OHPQGRMMJODWAS-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716430 1152422252 /nfs/dbraw/zinc/42/22/52/1152422252.db2.gz OWQLRGIQZZEGCK-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305179270 534829139 /nfs/dbraw/zinc/82/91/39/534829139.db2.gz VXPCMZROKVNCHB-SJORKVTESA-N 2 1 319.474 2.477 20 30 DEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N[C@@H](C)c1ccc(C)o1 ZINC000262769432 526375063 /nfs/dbraw/zinc/37/50/63/526375063.db2.gz IFLZRDVKRRBNES-BBRMVZONSA-N 2 1 324.494 2.251 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000336881987 527394891 /nfs/dbraw/zinc/39/48/91/527394891.db2.gz VFBGBJIHGGVWFM-UHFFFAOYSA-N 2 1 324.432 2.061 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261732796 529070404 /nfs/dbraw/zinc/07/04/04/529070404.db2.gz OKXRSLVDLPAFBS-CYBMUJFWSA-N 2 1 302.413 2.201 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023555653 625325059 /nfs/dbraw/zinc/32/50/59/625325059.db2.gz ZIXWVAQGFMSWCJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023555653 625325063 /nfs/dbraw/zinc/32/50/63/625325063.db2.gz ZIXWVAQGFMSWCJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023555653 625325066 /nfs/dbraw/zinc/32/50/66/625325066.db2.gz ZIXWVAQGFMSWCJ-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972648115 625403606 /nfs/dbraw/zinc/40/36/06/625403606.db2.gz FHZXQRMZZSVFCA-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458758 625451832 /nfs/dbraw/zinc/45/18/32/625451832.db2.gz CKDDRNJJYLFTCW-HOCLYGCPSA-N 2 1 324.428 2.106 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156363 622597145 /nfs/dbraw/zinc/59/71/45/622597145.db2.gz RBAOHOADVQPCRN-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529120 623522883 /nfs/dbraw/zinc/52/28/83/623522883.db2.gz MIEPRTGFOSPDHJ-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000970926620 623796262 /nfs/dbraw/zinc/79/62/62/623796262.db2.gz ADKCYIQFQDYVFA-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666387 623922398 /nfs/dbraw/zinc/92/23/98/623922398.db2.gz TVECMKGIJXJAIF-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670223 623929802 /nfs/dbraw/zinc/92/98/02/623929802.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670223 623929804 /nfs/dbraw/zinc/92/98/04/623929804.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670223 623929806 /nfs/dbraw/zinc/92/98/06/623929806.db2.gz JMVLBASDNAWVAZ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681706 624503075 /nfs/dbraw/zinc/50/30/75/624503075.db2.gz FSGLSUVSJWPXBM-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681706 624503081 /nfs/dbraw/zinc/50/30/81/624503081.db2.gz FSGLSUVSJWPXBM-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681706 624503086 /nfs/dbraw/zinc/50/30/86/624503086.db2.gz FSGLSUVSJWPXBM-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000972189609 624881703 /nfs/dbraw/zinc/88/17/03/624881703.db2.gz SNXIWJDNDAMYFR-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749894 625033390 /nfs/dbraw/zinc/03/33/90/625033390.db2.gz IPPOJVSWZBJNQG-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522610 625835748 /nfs/dbraw/zinc/83/57/48/625835748.db2.gz HCZXOCYXVWHREC-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522610 625835753 /nfs/dbraw/zinc/83/57/53/625835753.db2.gz HCZXOCYXVWHREC-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522610 625835756 /nfs/dbraw/zinc/83/57/56/625835756.db2.gz HCZXOCYXVWHREC-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522610 625835760 /nfs/dbraw/zinc/83/57/60/625835760.db2.gz HCZXOCYXVWHREC-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522610 625835763 /nfs/dbraw/zinc/83/57/63/625835763.db2.gz HCZXOCYXVWHREC-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615678 625936026 /nfs/dbraw/zinc/93/60/26/625936026.db2.gz YVUIPMPPDHKLTL-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615678 625936030 /nfs/dbraw/zinc/93/60/30/625936030.db2.gz YVUIPMPPDHKLTL-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615678 625936034 /nfs/dbraw/zinc/93/60/34/625936034.db2.gz YVUIPMPPDHKLTL-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634194 625944159 /nfs/dbraw/zinc/94/41/59/625944159.db2.gz SEFQKZKNGSVTHD-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999162817 634502999 /nfs/dbraw/zinc/50/29/99/634502999.db2.gz MIWUPYXJDGHPSN-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999162816 634503042 /nfs/dbraw/zinc/50/30/42/634503042.db2.gz MIWUPYXJDGHPSN-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649484 633208583 /nfs/dbraw/zinc/20/85/83/633208583.db2.gz GVVKJKSLMIXKTJ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649484 633208588 /nfs/dbraw/zinc/20/85/88/633208588.db2.gz GVVKJKSLMIXKTJ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649484 633208591 /nfs/dbraw/zinc/20/85/91/633208591.db2.gz GVVKJKSLMIXKTJ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974654086 633211674 /nfs/dbraw/zinc/21/16/74/633211674.db2.gz GZBZYXPMLFIIGF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654086 633211679 /nfs/dbraw/zinc/21/16/79/633211679.db2.gz GZBZYXPMLFIIGF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654086 633211684 /nfs/dbraw/zinc/21/16/84/633211684.db2.gz GZBZYXPMLFIIGF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677496 633230685 /nfs/dbraw/zinc/23/06/85/633230685.db2.gz DXJQONYGXDYMDY-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677496 633230690 /nfs/dbraw/zinc/23/06/90/633230690.db2.gz DXJQONYGXDYMDY-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677496 633230695 /nfs/dbraw/zinc/23/06/95/633230695.db2.gz DXJQONYGXDYMDY-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000996715931 633366767 /nfs/dbraw/zinc/36/67/67/633366767.db2.gz GWDAWWMEVIDLQW-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434484 633756602 /nfs/dbraw/zinc/75/66/02/633756602.db2.gz PLICYHLYWHHSFL-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027437657 633784694 /nfs/dbraw/zinc/78/46/94/633784694.db2.gz CYAFWDMSWZABJM-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437657 633784695 /nfs/dbraw/zinc/78/46/95/633784695.db2.gz CYAFWDMSWZABJM-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437657 633784700 /nfs/dbraw/zinc/78/47/00/633784700.db2.gz CYAFWDMSWZABJM-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027461767 633830181 /nfs/dbraw/zinc/83/01/81/633830181.db2.gz PBAYONPTURQYFK-INIZCTEOSA-N 2 1 318.465 2.426 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214364 633880526 /nfs/dbraw/zinc/88/05/26/633880526.db2.gz CPFGLKBJILWCGD-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977338615 633932910 /nfs/dbraw/zinc/93/29/10/633932910.db2.gz UTOPNARVSKTCDZ-QGZVFWFLSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027883267 634857615 /nfs/dbraw/zinc/85/76/15/634857615.db2.gz HZMARDCAORSJGD-INIZCTEOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980144778 634861839 /nfs/dbraw/zinc/86/18/39/634861839.db2.gz BNEOYZGNCDMGPP-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980186466 634883912 /nfs/dbraw/zinc/88/39/12/634883912.db2.gz DGWRRGQPQIVYEG-RCCFBDPRSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925539 634981751 /nfs/dbraw/zinc/98/17/51/634981751.db2.gz UBDKTIULJJVTDB-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001094387 635405269 /nfs/dbraw/zinc/40/52/69/635405269.db2.gz UXGAJGAAIYHGBB-UHFFFAOYSA-N 2 1 317.433 2.279 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001251347 635441478 /nfs/dbraw/zinc/44/14/78/635441478.db2.gz DPIOUVGZZMOYRK-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001251347 635441481 /nfs/dbraw/zinc/44/14/81/635441481.db2.gz DPIOUVGZZMOYRK-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001251347 635441484 /nfs/dbraw/zinc/44/14/84/635441484.db2.gz DPIOUVGZZMOYRK-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363618 635454161 /nfs/dbraw/zinc/45/41/61/635454161.db2.gz JJWTUUZXEISODX-LSDHHAIUSA-N 2 1 304.438 2.210 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001370167 635480543 /nfs/dbraw/zinc/48/05/43/635480543.db2.gz HLRDZZXZFNDAOK-SJORKVTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001478239 635516657 /nfs/dbraw/zinc/51/66/57/635516657.db2.gz ZCZMLZCFYPHUKG-SFHVURJKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001523343 635521610 /nfs/dbraw/zinc/52/16/10/635521610.db2.gz RVMLGSWQVXVWQX-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001028144755 635698262 /nfs/dbraw/zinc/69/82/62/635698262.db2.gz BNQDSRQMZMWHKZ-BZUAXINKSA-N 2 1 316.449 2.070 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893326 635714261 /nfs/dbraw/zinc/71/42/61/635714261.db2.gz CZSTWUSNQGEEFJ-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537492 636329800 /nfs/dbraw/zinc/32/98/00/636329800.db2.gz MAZPXJZSEYFFET-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537492 636329804 /nfs/dbraw/zinc/32/98/04/636329804.db2.gz MAZPXJZSEYFFET-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537492 636329809 /nfs/dbraw/zinc/32/98/09/636329809.db2.gz MAZPXJZSEYFFET-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537492 636329815 /nfs/dbraw/zinc/32/98/15/636329815.db2.gz MAZPXJZSEYFFET-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982736588 636384029 /nfs/dbraw/zinc/38/40/29/636384029.db2.gz PRNRTYIJSMIPSE-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982736588 636384031 /nfs/dbraw/zinc/38/40/31/636384031.db2.gz PRNRTYIJSMIPSE-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982736588 636384034 /nfs/dbraw/zinc/38/40/34/636384034.db2.gz PRNRTYIJSMIPSE-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004367411 636394411 /nfs/dbraw/zinc/39/44/11/636394411.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004367411 636394416 /nfs/dbraw/zinc/39/44/16/636394416.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004367411 636394419 /nfs/dbraw/zinc/39/44/19/636394419.db2.gz CMXOMSHXNSJOET-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779082 636646238 /nfs/dbraw/zinc/64/62/38/636646238.db2.gz FTFKCGPOFXAPPK-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779082 636646240 /nfs/dbraw/zinc/64/62/40/636646240.db2.gz FTFKCGPOFXAPPK-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005384506 636727598 /nfs/dbraw/zinc/72/75/98/636727598.db2.gz MPUXHZKXKHIKSN-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005406538 636733081 /nfs/dbraw/zinc/73/30/81/636733081.db2.gz DRMYUGYZTAFYRY-NVXWUHKLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640907 636803563 /nfs/dbraw/zinc/80/35/63/636803563.db2.gz UGGARLOVYSQCBM-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923334072 637121345 /nfs/dbraw/zinc/12/13/45/637121345.db2.gz AOMCTMQHGLFVQH-ZWKOTPCHSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923334072 637121349 /nfs/dbraw/zinc/12/13/49/637121349.db2.gz AOMCTMQHGLFVQH-ZWKOTPCHSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000985433906 639404792 /nfs/dbraw/zinc/40/47/92/639404792.db2.gz PDWXOCFOJRRXKJ-UHFFFAOYSA-N 2 1 312.417 2.365 20 30 DEEDMP C[C@H]1CNC(NN=C2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)=[NH+]1 ZINC000841633321 650527388 /nfs/dbraw/zinc/52/73/88/650527388.db2.gz KOGQLUMFCQIXCX-SUMWQHHRSA-N 2 1 311.433 2.279 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987102719 640087348 /nfs/dbraw/zinc/08/73/48/640087348.db2.gz BHJKNZOCFRVGRO-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240215 640520954 /nfs/dbraw/zinc/52/09/54/640520954.db2.gz DMBUFSWTGLAQGX-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240215 640520961 /nfs/dbraw/zinc/52/09/61/640520961.db2.gz DMBUFSWTGLAQGX-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240215 640520963 /nfs/dbraw/zinc/52/09/63/640520963.db2.gz DMBUFSWTGLAQGX-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240215 640520966 /nfs/dbraw/zinc/52/09/66/640520966.db2.gz DMBUFSWTGLAQGX-WBAXXEDZSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989515036 641133843 /nfs/dbraw/zinc/13/38/43/641133843.db2.gz OWMXRAHGLNYXEA-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000989728100 641211648 /nfs/dbraw/zinc/21/16/48/641211648.db2.gz AXBUEENHJYGJQW-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767767 641986493 /nfs/dbraw/zinc/98/64/93/641986493.db2.gz YRSXSSAAQXMOLQ-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767767 641986496 /nfs/dbraw/zinc/98/64/96/641986496.db2.gz YRSXSSAAQXMOLQ-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767767 641986497 /nfs/dbraw/zinc/98/64/97/641986497.db2.gz YRSXSSAAQXMOLQ-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC#C)CC1 ZINC000785488300 643239902 /nfs/dbraw/zinc/23/99/02/643239902.db2.gz RVCXLABXKSIHLN-UHFFFAOYSA-N 2 1 324.468 2.235 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903498732 643365522 /nfs/dbraw/zinc/36/55/22/643365522.db2.gz CNADQGJEJFVPQK-CZUORRHYSA-N 2 1 303.450 2.390 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421308 643669761 /nfs/dbraw/zinc/66/97/61/643669761.db2.gz XQOLIOPDUWLHNN-JKSUJKDBSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421308 643669762 /nfs/dbraw/zinc/66/97/62/643669762.db2.gz XQOLIOPDUWLHNN-JKSUJKDBSA-N 2 1 302.418 2.301 20 30 DEEDMP CSCCC[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912507874 646090295 /nfs/dbraw/zinc/09/02/95/646090295.db2.gz GZIVARMPMVQPBY-CYBMUJFWSA-N 2 1 300.516 2.167 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775713 646626930 /nfs/dbraw/zinc/62/69/30/646626930.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775713 646626932 /nfs/dbraw/zinc/62/69/32/646626932.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775713 646626937 /nfs/dbraw/zinc/62/69/37/646626937.db2.gz PCUPNPNQGDTURM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992141100 646870809 /nfs/dbraw/zinc/87/08/09/646870809.db2.gz GNSVATOETWUAEL-WMZOPIPTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992352996 646956036 /nfs/dbraw/zinc/95/60/36/646956036.db2.gz QOBGSNPOMZGCCI-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992352996 646956037 /nfs/dbraw/zinc/95/60/37/646956037.db2.gz QOBGSNPOMZGCCI-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992412040 646980501 /nfs/dbraw/zinc/98/05/01/646980501.db2.gz QQIQWLRXKHISLW-APWZRJJASA-N 2 1 317.477 2.162 20 30 DEEDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C#N ZINC000816632471 647160991 /nfs/dbraw/zinc/16/09/91/647160991.db2.gz KHXKPDYPSDDVAC-UHFFFAOYSA-N 2 1 300.450 2.420 20 30 DEEDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C#N ZINC000816632471 647160994 /nfs/dbraw/zinc/16/09/94/647160994.db2.gz KHXKPDYPSDDVAC-UHFFFAOYSA-N 2 1 300.450 2.420 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993325191 647605830 /nfs/dbraw/zinc/60/58/30/647605830.db2.gz HPPBKJPFIIBDLQ-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993683281 647725367 /nfs/dbraw/zinc/72/53/67/647725367.db2.gz MJXUYUIIVFHJOI-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761271 647741093 /nfs/dbraw/zinc/74/10/93/647741093.db2.gz OKTJQIIVPFIQTM-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993928472 647763105 /nfs/dbraw/zinc/76/31/05/647763105.db2.gz NNEZIMISYIAUHL-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994128946 647790728 /nfs/dbraw/zinc/79/07/28/647790728.db2.gz FDPUHYHRNNXRCZ-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253233 647861545 /nfs/dbraw/zinc/86/15/45/647861545.db2.gz NDXHQIWMRPITEM-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000820846567 647930785 /nfs/dbraw/zinc/93/07/85/647930785.db2.gz IBCQHUXPTBBNJV-UHFFFAOYSA-N 2 1 300.381 2.261 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000820846567 647930790 /nfs/dbraw/zinc/93/07/90/647930790.db2.gz IBCQHUXPTBBNJV-UHFFFAOYSA-N 2 1 300.381 2.261 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029645 648989015 /nfs/dbraw/zinc/98/90/15/648989015.db2.gz YIOCAKLMUIYIIP-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029645 648989017 /nfs/dbraw/zinc/98/90/17/648989017.db2.gz YIOCAKLMUIYIIP-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029645 648989018 /nfs/dbraw/zinc/98/90/18/648989018.db2.gz YIOCAKLMUIYIIP-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237866 649029086 /nfs/dbraw/zinc/02/90/86/649029086.db2.gz RRGPXZBVWXJXRT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237866 649029089 /nfs/dbraw/zinc/02/90/89/649029089.db2.gz RRGPXZBVWXJXRT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237866 649029092 /nfs/dbraw/zinc/02/90/92/649029092.db2.gz RRGPXZBVWXJXRT-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755483 649422157 /nfs/dbraw/zinc/42/21/57/649422157.db2.gz FERHTXPVXGNSEY-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304751264 685260205 /nfs/dbraw/zinc/26/02/05/685260205.db2.gz JBVCVMSAVXHSGU-HNNXBMFYSA-N 2 1 310.486 2.114 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153284 693864430 /nfs/dbraw/zinc/86/44/30/693864430.db2.gz NOJWFVLPTYVWPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153284 693864433 /nfs/dbraw/zinc/86/44/33/693864433.db2.gz NOJWFVLPTYVWPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153284 693864436 /nfs/dbraw/zinc/86/44/36/693864436.db2.gz NOJWFVLPTYVWPK-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164218 693867756 /nfs/dbraw/zinc/86/77/56/693867756.db2.gz DMPZKFZYYLQCHD-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054234077 693893464 /nfs/dbraw/zinc/89/34/64/693893464.db2.gz WUNXBAAWLXOGFY-GOSISDBHSA-N 2 1 316.449 2.151 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281102 693913431 /nfs/dbraw/zinc/91/34/31/693913431.db2.gz BITPJRPMXOYQEM-KDOFPFPSSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281102 693913433 /nfs/dbraw/zinc/91/34/33/693913433.db2.gz BITPJRPMXOYQEM-KDOFPFPSSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281102 693913434 /nfs/dbraw/zinc/91/34/34/693913434.db2.gz BITPJRPMXOYQEM-KDOFPFPSSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281102 693913435 /nfs/dbraw/zinc/91/34/35/693913435.db2.gz BITPJRPMXOYQEM-KDOFPFPSSA-N 2 1 313.445 2.002 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894017 685238354 /nfs/dbraw/zinc/23/83/54/685238354.db2.gz SHWCCNKOJJWQDC-INIZCTEOSA-N 2 1 318.465 2.071 20 30 DEEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C1 ZINC000303892646 685238531 /nfs/dbraw/zinc/23/85/31/685238531.db2.gz NUNBRBSZRFVNRE-NSHDSACASA-N 2 1 310.829 2.417 20 30 DEEDMP N#CC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930139631 694098934 /nfs/dbraw/zinc/09/89/34/694098934.db2.gz WTOJKCKZGHHMAR-GOSISDBHSA-N 2 1 313.445 2.249 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781997 687419998 /nfs/dbraw/zinc/41/99/98/687419998.db2.gz UMUOQRDIWXMOKQ-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781997 687419999 /nfs/dbraw/zinc/41/99/99/687419999.db2.gz UMUOQRDIWXMOKQ-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016700105 687685418 /nfs/dbraw/zinc/68/54/18/687685418.db2.gz BQHNZRGRPIUVJA-IRXDYDNUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017659673 687933829 /nfs/dbraw/zinc/93/38/29/687933829.db2.gz YBNKTVREVXUHKW-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017659673 687933833 /nfs/dbraw/zinc/93/38/33/687933833.db2.gz YBNKTVREVXUHKW-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659673 687933837 /nfs/dbraw/zinc/93/38/37/687933837.db2.gz YBNKTVREVXUHKW-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001019632157 688383184 /nfs/dbraw/zinc/38/31/84/688383184.db2.gz BTRACVFSMXKWDG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930903251 694267512 /nfs/dbraw/zinc/26/75/12/694267512.db2.gz IQIVWFSSGHCHGR-SFHVURJKSA-N 2 1 301.434 2.064 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930903251 694267516 /nfs/dbraw/zinc/26/75/16/694267516.db2.gz IQIVWFSSGHCHGR-SFHVURJKSA-N 2 1 301.434 2.064 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470634 689513404 /nfs/dbraw/zinc/51/34/04/689513404.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470634 689513408 /nfs/dbraw/zinc/51/34/08/689513408.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470634 689513412 /nfs/dbraw/zinc/51/34/12/689513412.db2.gz BRKLBMWWDWXZBZ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033835585 689631951 /nfs/dbraw/zinc/63/19/51/689631951.db2.gz ZYJMHEWEGSDEHE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033835585 689631953 /nfs/dbraw/zinc/63/19/53/689631953.db2.gz ZYJMHEWEGSDEHE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033835585 689631955 /nfs/dbraw/zinc/63/19/55/689631955.db2.gz ZYJMHEWEGSDEHE-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897627 689654103 /nfs/dbraw/zinc/65/41/03/689654103.db2.gz MSZBLRVCHVGQGF-KRWDZBQOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216427 689766368 /nfs/dbraw/zinc/76/63/68/689766368.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216427 689766369 /nfs/dbraw/zinc/76/63/69/689766369.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216427 689766371 /nfs/dbraw/zinc/76/63/71/689766371.db2.gz GQJCIYTWUIQPCT-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249644 689780975 /nfs/dbraw/zinc/78/09/75/689780975.db2.gz MGGKVGPTDJGDBR-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249644 689780979 /nfs/dbraw/zinc/78/09/79/689780979.db2.gz MGGKVGPTDJGDBR-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034370527 689826122 /nfs/dbraw/zinc/82/61/22/689826122.db2.gz XMKJPXYKWWZDRY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034370527 689826125 /nfs/dbraw/zinc/82/61/25/689826125.db2.gz XMKJPXYKWWZDRY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034370527 689826128 /nfs/dbraw/zinc/82/61/28/689826128.db2.gz XMKJPXYKWWZDRY-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369792 689826474 /nfs/dbraw/zinc/82/64/74/689826474.db2.gz VFDWHKWNHMTMTJ-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369792 689826478 /nfs/dbraw/zinc/82/64/78/689826478.db2.gz VFDWHKWNHMTMTJ-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369792 689826481 /nfs/dbraw/zinc/82/64/81/689826481.db2.gz VFDWHKWNHMTMTJ-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393369 689833351 /nfs/dbraw/zinc/83/33/51/689833351.db2.gz DEIHTNBSYDUBTF-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034393369 689833353 /nfs/dbraw/zinc/83/33/53/689833353.db2.gz DEIHTNBSYDUBTF-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034393369 689833355 /nfs/dbraw/zinc/83/33/55/689833355.db2.gz DEIHTNBSYDUBTF-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034482081 689867856 /nfs/dbraw/zinc/86/78/56/689867856.db2.gz YYBBLWLMQKAIDU-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034482081 689867860 /nfs/dbraw/zinc/86/78/60/689867860.db2.gz YYBBLWLMQKAIDU-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034482081 689867865 /nfs/dbraw/zinc/86/78/65/689867865.db2.gz YYBBLWLMQKAIDU-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034482081 689867871 /nfs/dbraw/zinc/86/78/71/689867871.db2.gz YYBBLWLMQKAIDU-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034493541 689872791 /nfs/dbraw/zinc/87/27/91/689872791.db2.gz UXQPICDCSOOWNP-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034493541 689872794 /nfs/dbraw/zinc/87/27/94/689872794.db2.gz UXQPICDCSOOWNP-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034493541 689872798 /nfs/dbraw/zinc/87/27/98/689872798.db2.gz UXQPICDCSOOWNP-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034493541 689872802 /nfs/dbraw/zinc/87/28/02/689872802.db2.gz UXQPICDCSOOWNP-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000876724088 689916285 /nfs/dbraw/zinc/91/62/85/689916285.db2.gz NKRLUFJWSAFPDE-HNNXBMFYSA-N 2 1 315.889 2.427 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876725805 689917071 /nfs/dbraw/zinc/91/70/71/689917071.db2.gz XXGOSJXVBXROOE-GXTWGEPZSA-N 2 1 301.862 2.085 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034648066 689918611 /nfs/dbraw/zinc/91/86/11/689918611.db2.gz XAHGDSSNTUUEHP-KBUPBQIOSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198543 690057221 /nfs/dbraw/zinc/05/72/21/690057221.db2.gz LVNVQGAOTCLOBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198543 690057226 /nfs/dbraw/zinc/05/72/26/690057226.db2.gz LVNVQGAOTCLOBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198543 690057231 /nfs/dbraw/zinc/05/72/31/690057231.db2.gz LVNVQGAOTCLOBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229467 690066676 /nfs/dbraw/zinc/06/66/76/690066676.db2.gz MTKPGDOHDKCULG-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#Cc1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877664243 690182660 /nfs/dbraw/zinc/18/26/60/690182660.db2.gz KWLZIOCWMJCKKX-UHFFFAOYSA-N 2 1 300.446 2.458 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858271 690194723 /nfs/dbraw/zinc/19/47/23/690194723.db2.gz RKWIHJVEOAJCGE-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001037863351 690626514 /nfs/dbraw/zinc/62/65/14/690626514.db2.gz XUHHGXADARLEHO-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250097 690758327 /nfs/dbraw/zinc/75/83/27/690758327.db2.gz YKBBFDAFJSNNSS-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250097 690758330 /nfs/dbraw/zinc/75/83/30/690758330.db2.gz YKBBFDAFJSNNSS-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250097 690758333 /nfs/dbraw/zinc/75/83/33/690758333.db2.gz YKBBFDAFJSNNSS-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262510 690854745 /nfs/dbraw/zinc/85/47/45/690854745.db2.gz NEZGSCJMTSOFSW-KXBFYZLASA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001038779838 690924727 /nfs/dbraw/zinc/92/47/27/690924727.db2.gz KQJWRAIXBLWIOC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038779838 690924731 /nfs/dbraw/zinc/92/47/31/690924731.db2.gz KQJWRAIXBLWIOC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001038779838 690924733 /nfs/dbraw/zinc/92/47/33/690924733.db2.gz KQJWRAIXBLWIOC-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040888 691001803 /nfs/dbraw/zinc/00/18/03/691001803.db2.gz WTXPJRFQRUGIBX-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040888 691001806 /nfs/dbraw/zinc/00/18/06/691001806.db2.gz WTXPJRFQRUGIBX-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173091 691039421 /nfs/dbraw/zinc/03/94/21/691039421.db2.gz NGGRZUQKWCMESR-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173091 691039424 /nfs/dbraw/zinc/03/94/24/691039424.db2.gz NGGRZUQKWCMESR-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173091 691039428 /nfs/dbraw/zinc/03/94/28/691039428.db2.gz NGGRZUQKWCMESR-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224709 691060104 /nfs/dbraw/zinc/06/01/04/691060104.db2.gz IPSZMDOUKPUTCH-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242782 691066775 /nfs/dbraw/zinc/06/67/75/691066775.db2.gz RDDQMVANGMUJOK-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380677 691093567 /nfs/dbraw/zinc/09/35/67/691093567.db2.gz ZKMOENPKXBBIOC-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380677 691093573 /nfs/dbraw/zinc/09/35/73/691093573.db2.gz ZKMOENPKXBBIOC-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380677 691093575 /nfs/dbraw/zinc/09/35/75/691093575.db2.gz ZKMOENPKXBBIOC-VSZNYVQBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388126 691095599 /nfs/dbraw/zinc/09/55/99/691095599.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388126 691095600 /nfs/dbraw/zinc/09/56/00/691095600.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388126 691095602 /nfs/dbraw/zinc/09/56/02/691095602.db2.gz BNJNTCHLBNUCGO-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039405725 691099647 /nfs/dbraw/zinc/09/96/47/691099647.db2.gz CTOWNPNJQCWTKS-AEFFLSMTSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431940 691104750 /nfs/dbraw/zinc/10/47/50/691104750.db2.gz ZZVLAMWUBZYZSS-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCc2nc[nH]c21 ZINC001039435458 691105520 /nfs/dbraw/zinc/10/55/20/691105520.db2.gz MFHSERGYHHNQCY-ILXRZTDVSA-N 2 1 314.433 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040208686 691213532 /nfs/dbraw/zinc/21/35/32/691213532.db2.gz BDWHRAFVMQETTL-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040208686 691213535 /nfs/dbraw/zinc/21/35/35/691213535.db2.gz BDWHRAFVMQETTL-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040208686 691213537 /nfs/dbraw/zinc/21/35/37/691213537.db2.gz BDWHRAFVMQETTL-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241715 691219048 /nfs/dbraw/zinc/21/90/48/691219048.db2.gz RPLFHQKQFFKDFN-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040705770 691280805 /nfs/dbraw/zinc/28/08/05/691280805.db2.gz KFMYMLOKMDCWOQ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644105 691404864 /nfs/dbraw/zinc/40/48/64/691404864.db2.gz AZMTZZNESNNCAS-SJLPKXTDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757565 691425190 /nfs/dbraw/zinc/42/51/90/691425190.db2.gz YVXNMXFLUSNZPH-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001043884495 691746470 /nfs/dbraw/zinc/74/64/70/691746470.db2.gz FXIXMNQCMXRKPO-UHFFFAOYSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044006201 691758093 /nfs/dbraw/zinc/75/80/93/691758093.db2.gz MRPOLWJVSLEFSP-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044006201 691758095 /nfs/dbraw/zinc/75/80/95/691758095.db2.gz MRPOLWJVSLEFSP-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044033552 691762000 /nfs/dbraw/zinc/76/20/00/691762000.db2.gz ADMKRSGKFQGJSC-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044033552 691762001 /nfs/dbraw/zinc/76/20/01/691762001.db2.gz ADMKRSGKFQGJSC-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630269 691861367 /nfs/dbraw/zinc/86/13/67/691861367.db2.gz UMWRUKKNKJVJOT-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458777 691984221 /nfs/dbraw/zinc/98/42/21/691984221.db2.gz ODQMRAFATQEDLV-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045557296 691996632 /nfs/dbraw/zinc/99/66/32/691996632.db2.gz FYYODVFSDVGOJA-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045557294 691996700 /nfs/dbraw/zinc/99/67/00/691996700.db2.gz FYYODVFSDVGOJA-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967522 692064506 /nfs/dbraw/zinc/06/45/06/692064506.db2.gz WUIWMRGPVLUWPL-HKUYNNGSSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1ccnc1C)C2 ZINC001045984446 692068743 /nfs/dbraw/zinc/06/87/43/692068743.db2.gz APGJLUCIOAAHGP-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984446 692068745 /nfs/dbraw/zinc/06/87/45/692068745.db2.gz APGJLUCIOAAHGP-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984446 692068748 /nfs/dbraw/zinc/06/87/48/692068748.db2.gz APGJLUCIOAAHGP-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739597 692280128 /nfs/dbraw/zinc/28/01/28/692280128.db2.gz QKMHCMJYOWNNPV-SFHVURJKSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572572 692926036 /nfs/dbraw/zinc/92/60/36/692926036.db2.gz MFWGUEQOENTORA-MSOLQXFVSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671193 692960873 /nfs/dbraw/zinc/96/08/73/692960873.db2.gz IZAREKSUMCOUDJ-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671193 692960875 /nfs/dbraw/zinc/96/08/75/692960875.db2.gz IZAREKSUMCOUDJ-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671193 692960876 /nfs/dbraw/zinc/96/08/76/692960876.db2.gz IZAREKSUMCOUDJ-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671194 692961246 /nfs/dbraw/zinc/96/12/46/692961246.db2.gz IZAREKSUMCOUDJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671194 692961249 /nfs/dbraw/zinc/96/12/49/692961249.db2.gz IZAREKSUMCOUDJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671194 692961253 /nfs/dbraw/zinc/96/12/53/692961253.db2.gz IZAREKSUMCOUDJ-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675585 692962569 /nfs/dbraw/zinc/96/25/69/692962569.db2.gz IDTKUXGSQTUSPP-HZPDHXFCSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675585 692962572 /nfs/dbraw/zinc/96/25/72/692962572.db2.gz IDTKUXGSQTUSPP-HZPDHXFCSA-N 2 1 317.433 2.206 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124922 693114825 /nfs/dbraw/zinc/11/48/25/693114825.db2.gz PDWNCRQOTNTERW-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124922 693114827 /nfs/dbraw/zinc/11/48/27/693114827.db2.gz PDWNCRQOTNTERW-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124922 693114829 /nfs/dbraw/zinc/11/48/29/693114829.db2.gz PDWNCRQOTNTERW-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137975 693117984 /nfs/dbraw/zinc/11/79/84/693117984.db2.gz LHNQFJLTQYDMPO-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137975 693117987 /nfs/dbraw/zinc/11/79/87/693117987.db2.gz LHNQFJLTQYDMPO-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137975 693117989 /nfs/dbraw/zinc/11/79/89/693117989.db2.gz LHNQFJLTQYDMPO-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050634599 693220034 /nfs/dbraw/zinc/22/00/34/693220034.db2.gz DQEAWGQDHBNIGY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786165 693341379 /nfs/dbraw/zinc/34/13/79/693341379.db2.gz WKBRUHXHSYAODV-TZMCWYRMSA-N 2 1 309.360 2.484 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052712520 693601229 /nfs/dbraw/zinc/60/12/29/693601229.db2.gz JPNGEHSCSGJQBQ-DZGCQCFKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712520 693601232 /nfs/dbraw/zinc/60/12/32/693601232.db2.gz JPNGEHSCSGJQBQ-DZGCQCFKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712520 693601233 /nfs/dbraw/zinc/60/12/33/693601233.db2.gz JPNGEHSCSGJQBQ-DZGCQCFKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765192 693614528 /nfs/dbraw/zinc/61/45/28/693614528.db2.gz WYOJYHPOEACKTC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857081 693634652 /nfs/dbraw/zinc/63/46/52/693634652.db2.gz HRMADLXDIWUTPT-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001332736108 1149886179 /nfs/dbraw/zinc/88/61/79/1149886179.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001332736108 1149886181 /nfs/dbraw/zinc/88/61/81/1149886181.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001332736108 1149886185 /nfs/dbraw/zinc/88/61/85/1149886185.db2.gz WCVRDHQBNOBKAK-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001402384609 1162339561 /nfs/dbraw/zinc/33/95/61/1162339561.db2.gz UPHUULNUAFHRCB-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381173562 1152936610 /nfs/dbraw/zinc/93/66/10/1152936610.db2.gz NGSYFKXWNBXXIC-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381173562 1152936613 /nfs/dbraw/zinc/93/66/13/1152936613.db2.gz NGSYFKXWNBXXIC-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001382135989 1153373842 /nfs/dbraw/zinc/37/38/42/1153373842.db2.gz QIJPTUWVJGUJDE-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001375882710 1158910605 /nfs/dbraw/zinc/91/06/05/1158910605.db2.gz LDWQCAIEUKIYKC-GOEBONIOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001397591046 1160351612 /nfs/dbraw/zinc/35/16/12/1160351612.db2.gz GRXLFAKUWXWUFQ-ZNMIVQPWSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794696 1161105525 /nfs/dbraw/zinc/10/55/25/1161105525.db2.gz PRXOMXNBKKEKIE-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001401230880 1161899600 /nfs/dbraw/zinc/89/96/00/1161899600.db2.gz ZFUMUAXJLJZVQN-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001401832091 1162148048 /nfs/dbraw/zinc/14/80/48/1162148048.db2.gz USPAOCSCFUQWMM-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001421432304 1171794902 /nfs/dbraw/zinc/79/49/02/1171794902.db2.gz NRDPCMSEZMCSIG-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001437766101 1179966254 /nfs/dbraw/zinc/96/62/54/1179966254.db2.gz FVANQCFBLKAAAJ-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001437766101 1179966267 /nfs/dbraw/zinc/96/62/67/1179966267.db2.gz FVANQCFBLKAAAJ-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001437766101 1179966280 /nfs/dbraw/zinc/96/62/80/1179966280.db2.gz FVANQCFBLKAAAJ-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001437766101 1179966294 /nfs/dbraw/zinc/96/62/94/1179966294.db2.gz FVANQCFBLKAAAJ-GASCZTMLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001438715151 1180787066 /nfs/dbraw/zinc/78/70/66/1180787066.db2.gz PLAGGQIWVHNSCW-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001438770287 1180808511 /nfs/dbraw/zinc/80/85/11/1180808511.db2.gz LLXRAYMUOVGTAJ-GJZGRUSLSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151424 782440590 /nfs/dbraw/zinc/44/05/90/782440590.db2.gz RRBDFPNYWXYFLC-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211047 782522400 /nfs/dbraw/zinc/52/24/00/782522400.db2.gz OPTMIVWDTNGSEW-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882704 790286167 /nfs/dbraw/zinc/28/61/67/790286167.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882704 790286171 /nfs/dbraw/zinc/28/61/71/790286171.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882704 790286178 /nfs/dbraw/zinc/28/61/78/790286178.db2.gz LMNLJSALUCCCLQ-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882866 790287095 /nfs/dbraw/zinc/28/70/95/790287095.db2.gz UDKRNGNNDCNUOW-UHFFFAOYSA-N 2 1 324.428 2.367 20 30 DEEDMP C=CCCC[NH+]1CC=C(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001333354582 1150038769 /nfs/dbraw/zinc/03/87/69/1150038769.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001333354582 1150038775 /nfs/dbraw/zinc/03/87/75/1150038775.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001333354582 1150038781 /nfs/dbraw/zinc/03/87/81/1150038781.db2.gz NMJXSEPQPASCSE-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334924 782772060 /nfs/dbraw/zinc/77/20/60/782772060.db2.gz LOGOVOSNKZHMDX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334924 782772068 /nfs/dbraw/zinc/77/20/68/782772068.db2.gz LOGOVOSNKZHMDX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334924 782772073 /nfs/dbraw/zinc/77/20/73/782772073.db2.gz LOGOVOSNKZHMDX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234369 782788855 /nfs/dbraw/zinc/78/88/55/782788855.db2.gz IUKMJZYCOZIUFF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234369 782788860 /nfs/dbraw/zinc/78/88/60/782788860.db2.gz IUKMJZYCOZIUFF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099234369 782788868 /nfs/dbraw/zinc/78/88/68/782788868.db2.gz IUKMJZYCOZIUFF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715937 782879990 /nfs/dbraw/zinc/87/99/90/782879990.db2.gz QFTMZEUNHNAQCO-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441634 783109768 /nfs/dbraw/zinc/10/97/68/783109768.db2.gz JENWZZVLNIATSM-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441634 783109777 /nfs/dbraw/zinc/10/97/77/783109777.db2.gz JENWZZVLNIATSM-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560233 783207462 /nfs/dbraw/zinc/20/74/62/783207462.db2.gz XFJIGDKXAZXHRM-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560233 783207464 /nfs/dbraw/zinc/20/74/64/783207464.db2.gz XFJIGDKXAZXHRM-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560233 783207472 /nfs/dbraw/zinc/20/74/72/783207472.db2.gz XFJIGDKXAZXHRM-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562553 783210560 /nfs/dbraw/zinc/21/05/60/783210560.db2.gz HPTPERQFTNYATI-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167438524 777046593 /nfs/dbraw/zinc/04/65/93/777046593.db2.gz XEXYIITYRVODLX-CVEARBPZSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318432 777782427 /nfs/dbraw/zinc/78/24/27/777782427.db2.gz XSZRMDHDVBGTAO-NJAFHUGGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073461552 790669449 /nfs/dbraw/zinc/66/94/49/790669449.db2.gz FOVBJHBKKMPGGN-QGZVFWFLSA-N 2 1 313.445 2.010 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073461552 790669453 /nfs/dbraw/zinc/66/94/53/790669453.db2.gz FOVBJHBKKMPGGN-QGZVFWFLSA-N 2 1 313.445 2.010 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784792 779232060 /nfs/dbraw/zinc/23/20/60/779232060.db2.gz HWDUNKVCUUPABZ-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784792 779232067 /nfs/dbraw/zinc/23/20/67/779232067.db2.gz HWDUNKVCUUPABZ-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569535 779356862 /nfs/dbraw/zinc/35/68/62/779356862.db2.gz ARTXXHQUKLQBSP-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569535 779356868 /nfs/dbraw/zinc/35/68/68/779356868.db2.gz ARTXXHQUKLQBSP-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569535 779356875 /nfs/dbraw/zinc/35/68/75/779356875.db2.gz ARTXXHQUKLQBSP-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577846 779359250 /nfs/dbraw/zinc/35/92/50/779359250.db2.gz MVPDCCXUHXGWRH-APIJFGDWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577846 779359254 /nfs/dbraw/zinc/35/92/54/779359254.db2.gz MVPDCCXUHXGWRH-APIJFGDWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577846 779359256 /nfs/dbraw/zinc/35/92/56/779359256.db2.gz MVPDCCXUHXGWRH-APIJFGDWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001087577846 779359257 /nfs/dbraw/zinc/35/92/57/779359257.db2.gz MVPDCCXUHXGWRH-APIJFGDWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725440 779424851 /nfs/dbraw/zinc/42/48/51/779424851.db2.gz OZYTYNXUHIMMTL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725440 779424853 /nfs/dbraw/zinc/42/48/53/779424853.db2.gz OZYTYNXUHIMMTL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1CC ZINC001087725440 779424854 /nfs/dbraw/zinc/42/48/54/779424854.db2.gz OZYTYNXUHIMMTL-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705368 /nfs/dbraw/zinc/70/53/68/779705368.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705373 /nfs/dbraw/zinc/70/53/73/779705373.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107170 779705375 /nfs/dbraw/zinc/70/53/75/779705375.db2.gz KTWSACUIHOPMME-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212872 779776183 /nfs/dbraw/zinc/77/61/83/779776183.db2.gz XZSXFZHXRPQGOX-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212872 779776186 /nfs/dbraw/zinc/77/61/86/779776186.db2.gz XZSXFZHXRPQGOX-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3nccn32)CC1 ZINC000985471427 779855328 /nfs/dbraw/zinc/85/53/28/779855328.db2.gz UIFLBNZWLPXWGC-INIZCTEOSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471427 779855335 /nfs/dbraw/zinc/85/53/35/779855335.db2.gz UIFLBNZWLPXWGC-INIZCTEOSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471427 779855338 /nfs/dbraw/zinc/85/53/38/779855338.db2.gz UIFLBNZWLPXWGC-INIZCTEOSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329946 779968163 /nfs/dbraw/zinc/96/81/63/779968163.db2.gz LENMOZNSLZBKNW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091026539 790838100 /nfs/dbraw/zinc/83/81/00/790838100.db2.gz PMUZJRBHZPVJQY-NRXISQOPSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088769076 780968723 /nfs/dbraw/zinc/96/87/23/780968723.db2.gz QDVWDRZRNRRUND-HYVNUMGLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947937039 783273165 /nfs/dbraw/zinc/27/31/65/783273165.db2.gz ZWYSFDOZGJWQEC-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910825 783420384 /nfs/dbraw/zinc/42/03/84/783420384.db2.gz QJDFHIRGFHKZPE-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621674 783533306 /nfs/dbraw/zinc/53/33/06/783533306.db2.gz UPMORHIDQPESNN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621674 783533312 /nfs/dbraw/zinc/53/33/12/783533312.db2.gz UPMORHIDQPESNN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639259 783917196 /nfs/dbraw/zinc/91/71/96/783917196.db2.gz LQUWAVLSHSMWLS-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639259 783917202 /nfs/dbraw/zinc/91/72/02/783917202.db2.gz LQUWAVLSHSMWLS-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739567 784025885 /nfs/dbraw/zinc/02/58/85/784025885.db2.gz QXDOKMBVLNZVPV-KRWDZBQOSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739567 784025888 /nfs/dbraw/zinc/02/58/88/784025888.db2.gz QXDOKMBVLNZVPV-KRWDZBQOSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778638 784067739 /nfs/dbraw/zinc/06/77/39/784067739.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778638 784067741 /nfs/dbraw/zinc/06/77/41/784067741.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778638 784067743 /nfs/dbraw/zinc/06/77/43/784067743.db2.gz CZSSHRHYKACQBA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915776 784214695 /nfs/dbraw/zinc/21/46/95/784214695.db2.gz KMMGMRVECSHBLT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085915776 784214688 /nfs/dbraw/zinc/21/46/88/784214688.db2.gz KMMGMRVECSHBLT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085915776 784214691 /nfs/dbraw/zinc/21/46/91/784214691.db2.gz KMMGMRVECSHBLT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915776 784214699 /nfs/dbraw/zinc/21/46/99/784214699.db2.gz KMMGMRVECSHBLT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330509 784293253 /nfs/dbraw/zinc/29/32/53/784293253.db2.gz AAYWSXCKCKOBDZ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968460563 784399096 /nfs/dbraw/zinc/39/90/96/784399096.db2.gz WRPZOTAYGZZRLQ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001086119658 784420289 /nfs/dbraw/zinc/42/02/89/784420289.db2.gz VZFDREUMDXKIFS-YVSFHVDLSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497977 784427039 /nfs/dbraw/zinc/42/70/39/784427039.db2.gz UNFVRQRDLFPLNK-QAPCUYQASA-N 2 1 324.428 2.499 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516442 784439813 /nfs/dbraw/zinc/43/98/13/784439813.db2.gz AZAWMPSCSJMXFH-YJBOKZPZSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554834 784464211 /nfs/dbraw/zinc/46/42/11/784464211.db2.gz XXQJNCSSCXYFFS-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554834 784464216 /nfs/dbraw/zinc/46/42/16/784464216.db2.gz XXQJNCSSCXYFFS-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086454452 784746647 /nfs/dbraw/zinc/74/66/47/784746647.db2.gz MQQCUKNDQFTLBW-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921068 785221386 /nfs/dbraw/zinc/22/13/86/785221386.db2.gz BSIIJFHJTBVMIV-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921068 785221388 /nfs/dbraw/zinc/22/13/88/785221388.db2.gz BSIIJFHJTBVMIV-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921068 785221391 /nfs/dbraw/zinc/22/13/91/785221391.db2.gz BSIIJFHJTBVMIV-KSWRQPAISA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921058 785221914 /nfs/dbraw/zinc/22/19/14/785221914.db2.gz BGGLHPQRTKRPSE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921058 785221923 /nfs/dbraw/zinc/22/19/23/785221923.db2.gz BGGLHPQRTKRPSE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921058 785221931 /nfs/dbraw/zinc/22/19/31/785221931.db2.gz BGGLHPQRTKRPSE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751163 785294344 /nfs/dbraw/zinc/29/43/44/785294344.db2.gz ZARATFKEWRJPLH-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009166622 785400429 /nfs/dbraw/zinc/40/04/29/785400429.db2.gz GAXQUEWEGKSOEU-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009166622 785400432 /nfs/dbraw/zinc/40/04/32/785400432.db2.gz GAXQUEWEGKSOEU-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166622 785400438 /nfs/dbraw/zinc/40/04/38/785400438.db2.gz GAXQUEWEGKSOEU-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166622 785400441 /nfs/dbraw/zinc/40/04/41/785400441.db2.gz GAXQUEWEGKSOEU-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717766 785503528 /nfs/dbraw/zinc/50/35/28/785503528.db2.gz UPSGSERXDCWYNU-JYJNAYRXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417418 785861127 /nfs/dbraw/zinc/86/11/27/785861127.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417418 785861137 /nfs/dbraw/zinc/86/11/37/785861137.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417418 785861149 /nfs/dbraw/zinc/86/11/49/785861149.db2.gz BANNYYFKDSYNCH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563112 786159225 /nfs/dbraw/zinc/15/92/25/786159225.db2.gz GIWXMUYGZZCZKK-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402902 786569315 /nfs/dbraw/zinc/56/93/15/786569315.db2.gz KCRXHQCDRNUDHE-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114040678 787073227 /nfs/dbraw/zinc/07/32/27/787073227.db2.gz AAULWGYRVYWZNK-TWMKSMIVSA-N 2 1 307.482 2.097 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114040678 787073236 /nfs/dbraw/zinc/07/32/36/787073236.db2.gz AAULWGYRVYWZNK-TWMKSMIVSA-N 2 1 307.482 2.097 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114040678 787073242 /nfs/dbraw/zinc/07/32/42/787073242.db2.gz AAULWGYRVYWZNK-TWMKSMIVSA-N 2 1 307.482 2.097 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102338 787204217 /nfs/dbraw/zinc/20/42/17/787204217.db2.gz YYQAECYQXCILFV-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102338 787204225 /nfs/dbraw/zinc/20/42/25/787204225.db2.gz YYQAECYQXCILFV-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189587 787309741 /nfs/dbraw/zinc/30/97/41/787309741.db2.gz QGKBUDJCKDJZFR-IAGOWNOFSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096607729 787756239 /nfs/dbraw/zinc/75/62/39/787756239.db2.gz JBGYTIGUSIIYII-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096607729 787756246 /nfs/dbraw/zinc/75/62/46/787756246.db2.gz JBGYTIGUSIIYII-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096607729 787756254 /nfs/dbraw/zinc/75/62/54/787756254.db2.gz JBGYTIGUSIIYII-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132366298 788041966 /nfs/dbraw/zinc/04/19/66/788041966.db2.gz ZWJCLYABMSFDJH-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366298 788041974 /nfs/dbraw/zinc/04/19/74/788041974.db2.gz ZWJCLYABMSFDJH-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366298 788041982 /nfs/dbraw/zinc/04/19/82/788041982.db2.gz ZWJCLYABMSFDJH-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454223 788181704 /nfs/dbraw/zinc/18/17/04/788181704.db2.gz QXOGPDHRGOJZGY-ZACQAIPSSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694954 788183288 /nfs/dbraw/zinc/18/32/88/788183288.db2.gz LYNCBRPKEBTZNB-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694954 788183294 /nfs/dbraw/zinc/18/32/94/788183294.db2.gz LYNCBRPKEBTZNB-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694954 788183298 /nfs/dbraw/zinc/18/32/98/788183298.db2.gz LYNCBRPKEBTZNB-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001097853603 788252300 /nfs/dbraw/zinc/25/23/00/788252300.db2.gz MKMQOUZDWPUXGH-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001097853603 788252303 /nfs/dbraw/zinc/25/23/03/788252303.db2.gz MKMQOUZDWPUXGH-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877299 789594244 /nfs/dbraw/zinc/59/42/44/789594244.db2.gz ADMOABWAUOUGJF-HZPDHXFCSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507704 789748353 /nfs/dbraw/zinc/74/83/53/789748353.db2.gz AKFDOEFHWZMOEI-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629276 789827449 /nfs/dbraw/zinc/82/74/49/789827449.db2.gz XLSWBWFXIQBIQA-GOEBONIOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957316 789986885 /nfs/dbraw/zinc/98/68/85/789986885.db2.gz GVJBTTJKESMJLL-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071996825 790004018 /nfs/dbraw/zinc/00/40/18/790004018.db2.gz VHEFUGGEBBHMEC-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811801 790256819 /nfs/dbraw/zinc/25/68/19/790256819.db2.gz HLCSZTRUXWTFCD-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811801 790256825 /nfs/dbraw/zinc/25/68/25/790256825.db2.gz HLCSZTRUXWTFCD-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811801 790256828 /nfs/dbraw/zinc/25/68/28/790256828.db2.gz HLCSZTRUXWTFCD-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147459554 791540170 /nfs/dbraw/zinc/54/01/70/791540170.db2.gz PFIVJLVTLJAFNY-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171307863 791559353 /nfs/dbraw/zinc/55/93/53/791559353.db2.gz LXJOWDKHPXWIMK-MSOLQXFVSA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C ZINC001171307863 791559361 /nfs/dbraw/zinc/55/93/61/791559361.db2.gz LXJOWDKHPXWIMK-MSOLQXFVSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956433 791864367 /nfs/dbraw/zinc/86/43/67/791864367.db2.gz NPBAJJMRQSCKEY-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788339 791883977 /nfs/dbraw/zinc/88/39/77/791883977.db2.gz WXKPHSFLGFOECH-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788339 791883979 /nfs/dbraw/zinc/88/39/79/791883979.db2.gz WXKPHSFLGFOECH-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788339 791883984 /nfs/dbraw/zinc/88/39/84/791883984.db2.gz WXKPHSFLGFOECH-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809673 791885409 /nfs/dbraw/zinc/88/54/09/791885409.db2.gz PGOJXHGLIKZBOK-AOIWGVFYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809673 791885412 /nfs/dbraw/zinc/88/54/12/791885412.db2.gz PGOJXHGLIKZBOK-AOIWGVFYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809673 791885415 /nfs/dbraw/zinc/88/54/15/791885415.db2.gz PGOJXHGLIKZBOK-AOIWGVFYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092299745 791972502 /nfs/dbraw/zinc/97/25/02/791972502.db2.gz GKWFMPSURGPFLM-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092828580 792145656 /nfs/dbraw/zinc/14/56/56/792145656.db2.gz MNXYZDIZORMABH-GDBMZVCRSA-N 2 1 312.417 2.208 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310552 792166923 /nfs/dbraw/zinc/16/69/23/792166923.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310552 792166927 /nfs/dbraw/zinc/16/69/27/792166927.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310552 792166932 /nfs/dbraw/zinc/16/69/32/792166932.db2.gz PHHSYYMUYFACPU-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099553709 792240677 /nfs/dbraw/zinc/24/06/77/792240677.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099553709 792240688 /nfs/dbraw/zinc/24/06/88/792240688.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099553709 792240700 /nfs/dbraw/zinc/24/07/00/792240700.db2.gz VRAPZZXNQCDTMT-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100408202 792633998 /nfs/dbraw/zinc/63/39/98/792633998.db2.gz YFYGGJZQVJMRAS-GPANFISMSA-N 2 1 316.449 2.211 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380532 792898678 /nfs/dbraw/zinc/89/86/78/792898678.db2.gz SBLISAAARVFDHD-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380532 792898687 /nfs/dbraw/zinc/89/86/87/792898687.db2.gz SBLISAAARVFDHD-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380532 792898699 /nfs/dbraw/zinc/89/86/99/792898699.db2.gz SBLISAAARVFDHD-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCN1CCC[C@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1=O ZINC001171625098 793156293 /nfs/dbraw/zinc/15/62/93/793156293.db2.gz BSOZCBXQJXRYIA-HNNXBMFYSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436959 793160072 /nfs/dbraw/zinc/16/00/72/793160072.db2.gz VLCRJOLSPKIPGU-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825742 793209331 /nfs/dbraw/zinc/20/93/31/793209331.db2.gz HTQPLLFNZKMQBR-OAHLLOKOSA-N 2 1 318.465 2.213 20 30 DEEDMP CC(C)[N@@H+](CCC[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970507 793547796 /nfs/dbraw/zinc/54/77/96/793547796.db2.gz GOLHWZSJUBLZLF-GJZGRUSLSA-N 2 1 324.469 2.337 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599319 793669650 /nfs/dbraw/zinc/66/96/50/793669650.db2.gz YTZZUJFNEOXWMS-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176024940 794334721 /nfs/dbraw/zinc/33/47/21/794334721.db2.gz UXBSSSMGIHTMKQ-CQSZACIVSA-N 2 1 303.878 2.345 20 30 DEEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176358943 794413897 /nfs/dbraw/zinc/41/38/97/794413897.db2.gz PSGYGWOZKSGYSP-AEFFLSMTSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450797 794777674 /nfs/dbraw/zinc/77/76/74/794777674.db2.gz OTJOEVGDXYVUTG-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115547379 794815840 /nfs/dbraw/zinc/81/58/40/794815840.db2.gz VYJJLNNZTJOFKX-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC=C ZINC001178722899 794974067 /nfs/dbraw/zinc/97/40/67/794974067.db2.gz TWTDNDVSLXNMDE-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC=C ZINC001178722899 794974073 /nfs/dbraw/zinc/97/40/73/794974073.db2.gz TWTDNDVSLXNMDE-SFHVURJKSA-N 2 1 319.493 2.316 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178734217 794986730 /nfs/dbraw/zinc/98/67/30/794986730.db2.gz YXATUOAEAOYRKZ-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926456 795023881 /nfs/dbraw/zinc/02/38/81/795023881.db2.gz XCWNSHCUEAECPQ-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422807 795455793 /nfs/dbraw/zinc/45/57/93/795455793.db2.gz OOKWSGCSVJOJNF-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440479 795459567 /nfs/dbraw/zinc/45/95/67/795459567.db2.gz NQPNALDTCRJFKS-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440479 795459570 /nfs/dbraw/zinc/45/95/70/795459570.db2.gz NQPNALDTCRJFKS-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440479 795459574 /nfs/dbraw/zinc/45/95/74/795459574.db2.gz NQPNALDTCRJFKS-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525686 795486138 /nfs/dbraw/zinc/48/61/38/795486138.db2.gz RUQGGIYNFTYETP-YWTNHNAXSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121254799 795608327 /nfs/dbraw/zinc/60/83/27/795608327.db2.gz BPZKRKCBLKUXMC-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122151112 795731461 /nfs/dbraw/zinc/73/14/61/795731461.db2.gz DNKODHYFIQEPIT-IYBDPMFKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577887 796087477 /nfs/dbraw/zinc/08/74/77/796087477.db2.gz QAODRMKOCOXLMI-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185170486 796201904 /nfs/dbraw/zinc/20/19/04/796201904.db2.gz PWIMLBFHQFSJDS-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169283 796530791 /nfs/dbraw/zinc/53/07/91/796530791.db2.gz RMLVOJZLNNLRMP-HOTGVXAUSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857457 796590116 /nfs/dbraw/zinc/59/01/16/796590116.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857457 796590122 /nfs/dbraw/zinc/59/01/22/796590122.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857457 796590126 /nfs/dbraw/zinc/59/01/26/796590126.db2.gz MWCWCECSOOFPKF-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219723 796693604 /nfs/dbraw/zinc/69/36/04/796693604.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219723 796693607 /nfs/dbraw/zinc/69/36/07/796693607.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219723 796693609 /nfs/dbraw/zinc/69/36/09/796693609.db2.gz MRUFKSLJHZVHNP-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656941 797050545 /nfs/dbraw/zinc/05/05/45/797050545.db2.gz YEKUHEQUXMENRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656941 797050549 /nfs/dbraw/zinc/05/05/49/797050549.db2.gz YEKUHEQUXMENRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656941 797050559 /nfs/dbraw/zinc/05/05/59/797050559.db2.gz YEKUHEQUXMENRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190891155 797103318 /nfs/dbraw/zinc/10/33/18/797103318.db2.gz YPXQCOPJDJIXOJ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387514 797331444 /nfs/dbraw/zinc/33/14/44/797331444.db2.gz FLTCTCNQNVWCRF-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293307 797355800 /nfs/dbraw/zinc/35/58/00/797355800.db2.gz HRLXRDJEKYDFHN-HUUCEWRRSA-N 2 1 316.449 2.329 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677385 797375059 /nfs/dbraw/zinc/37/50/59/797375059.db2.gz ATUFXOAZENYTKH-CYBMUJFWSA-N 2 1 309.479 2.436 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069365 797455986 /nfs/dbraw/zinc/45/59/86/797455986.db2.gz ASIONKFKJVHLDX-CYBMUJFWSA-N 2 1 303.878 2.296 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069365 797455989 /nfs/dbraw/zinc/45/59/89/797455989.db2.gz ASIONKFKJVHLDX-CYBMUJFWSA-N 2 1 303.878 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069365 797455993 /nfs/dbraw/zinc/45/59/93/797455993.db2.gz ASIONKFKJVHLDX-CYBMUJFWSA-N 2 1 303.878 2.296 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069365 797455996 /nfs/dbraw/zinc/45/59/96/797455996.db2.gz ASIONKFKJVHLDX-CYBMUJFWSA-N 2 1 303.878 2.296 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083403 797458683 /nfs/dbraw/zinc/45/86/83/797458683.db2.gz VARJRJVTZQMGMG-MRXNPFEDSA-N 2 1 318.465 2.311 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792343 797708047 /nfs/dbraw/zinc/70/80/47/797708047.db2.gz OSSASHFPWMLTIL-JKSUJKDBSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2nccn21 ZINC001158061945 798335149 /nfs/dbraw/zinc/33/51/49/798335149.db2.gz WUYLLCMNUMHEQF-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158061945 798335154 /nfs/dbraw/zinc/33/51/54/798335154.db2.gz WUYLLCMNUMHEQF-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336141 798387161 /nfs/dbraw/zinc/38/71/61/798387161.db2.gz HYVMHSBCESIYAM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158336141 798387167 /nfs/dbraw/zinc/38/71/67/798387167.db2.gz HYVMHSBCESIYAM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158336141 798387173 /nfs/dbraw/zinc/38/71/73/798387173.db2.gz HYVMHSBCESIYAM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385791 798398995 /nfs/dbraw/zinc/39/89/95/798398995.db2.gz QXNDXQNWRZNYGG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385791 798398998 /nfs/dbraw/zinc/39/89/98/798398998.db2.gz QXNDXQNWRZNYGG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385791 798399001 /nfs/dbraw/zinc/39/90/01/798399001.db2.gz QXNDXQNWRZNYGG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158438025 798408794 /nfs/dbraw/zinc/40/87/94/798408794.db2.gz MNINBPNPBOIPMQ-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158438025 798408798 /nfs/dbraw/zinc/40/87/98/798408798.db2.gz MNINBPNPBOIPMQ-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159629101 798590749 /nfs/dbraw/zinc/59/07/49/798590749.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629101 798590750 /nfs/dbraw/zinc/59/07/50/798590750.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159629101 798590751 /nfs/dbraw/zinc/59/07/51/798590751.db2.gz UGLZBOCELQVXGJ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160132007 798652319 /nfs/dbraw/zinc/65/23/19/798652319.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132007 798652321 /nfs/dbraw/zinc/65/23/21/798652321.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160132007 798652325 /nfs/dbraw/zinc/65/23/25/798652325.db2.gz ZPIDZBLBSMCROC-ROUUACIJSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156664 798656054 /nfs/dbraw/zinc/65/60/54/798656054.db2.gz WJZHLEZWADNUKR-SFHVURJKSA-N 2 1 317.477 2.043 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161205081 798809345 /nfs/dbraw/zinc/80/93/45/798809345.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161205081 798809350 /nfs/dbraw/zinc/80/93/50/798809350.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161205081 798809354 /nfs/dbraw/zinc/80/93/54/798809354.db2.gz CDLGKNVSZHSSQJ-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504320 798872709 /nfs/dbraw/zinc/87/27/09/798872709.db2.gz HOVVBCDJTAELGL-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161699552 798915339 /nfs/dbraw/zinc/91/53/39/798915339.db2.gz UGNIEHAAOGOFFJ-MSOLQXFVSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110736597 798998689 /nfs/dbraw/zinc/99/86/89/798998689.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736597 798998696 /nfs/dbraw/zinc/99/86/96/798998696.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110736597 798998703 /nfs/dbraw/zinc/99/87/03/798998703.db2.gz DRXGLQONLLHDIE-OAGGEKHMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531827 799618454 /nfs/dbraw/zinc/61/84/54/799618454.db2.gz UCVBXCASJLNBFT-DLBZAZTESA-N 2 1 319.493 2.313 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792092 800123300 /nfs/dbraw/zinc/12/33/00/800123300.db2.gz NGVYTOMOQOPEDM-UONOGXRCSA-N 2 1 313.873 2.096 20 30 DEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461023 800360219 /nfs/dbraw/zinc/36/02/19/800360219.db2.gz DFKCOLDTLPFJLB-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518609 800366882 /nfs/dbraw/zinc/36/68/82/800366882.db2.gz DKOFYPYNMMZVSH-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672743 800398650 /nfs/dbraw/zinc/39/86/50/800398650.db2.gz LKDYJSYVYCNESN-GOSISDBHSA-N 2 1 304.434 2.317 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275610 800501741 /nfs/dbraw/zinc/50/17/41/800501741.db2.gz WWPVSGPMMFDDGB-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335515 800957601 /nfs/dbraw/zinc/95/76/01/800957601.db2.gz UYLRHKQFCQNASP-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208606189 801027379 /nfs/dbraw/zinc/02/73/79/801027379.db2.gz DKHBCIGCTOCDBM-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208606189 801027383 /nfs/dbraw/zinc/02/73/83/801027383.db2.gz DKHBCIGCTOCDBM-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208606189 801027389 /nfs/dbraw/zinc/02/73/89/801027389.db2.gz DKHBCIGCTOCDBM-IPMKNSEASA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150588 801136597 /nfs/dbraw/zinc/13/65/97/801136597.db2.gz SGJPVOCCBHOOLI-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250064 801159348 /nfs/dbraw/zinc/15/93/48/801159348.db2.gz ATAZYWNYNJAVHP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209950266 801312206 /nfs/dbraw/zinc/31/22/06/801312206.db2.gz DMKZEYRUMIWQDB-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211024968 801499930 /nfs/dbraw/zinc/49/99/30/801499930.db2.gz DMSHJQNVOLVWNK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211024968 801499935 /nfs/dbraw/zinc/49/99/35/801499935.db2.gz DMSHJQNVOLVWNK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211024968 801499941 /nfs/dbraw/zinc/49/99/41/801499941.db2.gz DMSHJQNVOLVWNK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211063982 801507388 /nfs/dbraw/zinc/50/73/88/801507388.db2.gz FVMASDHQVBTDRR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256384 801537917 /nfs/dbraw/zinc/53/79/17/801537917.db2.gz FDWKTPCVNBZRDD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216324209 801963290 /nfs/dbraw/zinc/96/32/90/801963290.db2.gz QRCUCPITMKUOSK-KZNAEPCWSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642790 802437883 /nfs/dbraw/zinc/43/78/83/802437883.db2.gz KWWOPERXFYTIKG-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873419 802621822 /nfs/dbraw/zinc/62/18/22/802621822.db2.gz ZBJRWUNETBDTJI-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873419 802621827 /nfs/dbraw/zinc/62/18/27/802621827.db2.gz ZBJRWUNETBDTJI-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046698 802635842 /nfs/dbraw/zinc/63/58/42/802635842.db2.gz QWMIIFASGKYFJZ-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045877 802636064 /nfs/dbraw/zinc/63/60/64/802636064.db2.gz USRMAZSHIPXMHU-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226765786 803155759 /nfs/dbraw/zinc/15/57/59/803155759.db2.gz FPFDLPKLBIISEV-KZNAEPCWSA-N 2 1 319.493 2.290 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C\CC)CC1 ZINC001227849633 803288291 /nfs/dbraw/zinc/28/82/91/803288291.db2.gz XCAUGSJZRNYEEK-XFHJGTJQSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C\CC)CC1 ZINC001227849633 803288296 /nfs/dbraw/zinc/28/82/96/803288296.db2.gz XCAUGSJZRNYEEK-XFHJGTJQSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001328035145 1148704535 /nfs/dbraw/zinc/70/45/35/1148704535.db2.gz MHWMZFDTXRNVFQ-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331318422 1149419070 /nfs/dbraw/zinc/41/90/70/1149419070.db2.gz KZEOYSKEMLNICV-BHYGNILZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CCC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC001335961196 1150570378 /nfs/dbraw/zinc/57/03/78/1150570378.db2.gz KHZVVYQDPPRIIP-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001500088062 1058483851 /nfs/dbraw/zinc/48/38/51/1058483851.db2.gz IPLQPURUOKYUDC-SJORKVTESA-N 2 1 307.482 2.310 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001460800138 1058509088 /nfs/dbraw/zinc/50/90/88/1058509088.db2.gz IBOOZGJSSXPVIP-HNAYVOBHSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001500124439 1058510226 /nfs/dbraw/zinc/51/02/26/1058510226.db2.gz AARQSAXMPUWAHB-QGZVFWFLSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001501399193 1059489553 /nfs/dbraw/zinc/48/95/53/1059489553.db2.gz CMWUYMISPXBJMP-RCCFBDPRSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001502366101 1060081191 /nfs/dbraw/zinc/08/11/91/1060081191.db2.gz WSRUIRYGUPFBNQ-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001502366101 1060081204 /nfs/dbraw/zinc/08/12/04/1060081204.db2.gz WSRUIRYGUPFBNQ-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001502366101 1060081218 /nfs/dbraw/zinc/08/12/18/1060081218.db2.gz WSRUIRYGUPFBNQ-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001503024117 1060426126 /nfs/dbraw/zinc/42/61/26/1060426126.db2.gz SUCYLLXAKUZWIU-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445489 1060608886 /nfs/dbraw/zinc/60/88/86/1060608886.db2.gz WGZZRAHXJCIQPT-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001505836691 1061020554 /nfs/dbraw/zinc/02/05/54/1061020554.db2.gz IBYNYDUUJHVLQC-KRWDZBQOSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085162 1062304023 /nfs/dbraw/zinc/30/40/23/1062304023.db2.gz QCQNAKBBPGQXHZ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001480089602 1062312085 /nfs/dbraw/zinc/31/20/85/1062312085.db2.gz TUDVTWKPTZNMBB-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506894999 1062484385 /nfs/dbraw/zinc/48/43/85/1062484385.db2.gz YTLOJBUVULSPGC-VQHPVUNQSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001506957955 1062597298 /nfs/dbraw/zinc/59/72/98/1062597298.db2.gz HDFKRLDKNKLGAL-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480300483 1062606618 /nfs/dbraw/zinc/60/66/18/1062606618.db2.gz NTNNXUVOCTXDSY-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480333090 1062668457 /nfs/dbraw/zinc/66/84/57/1062668457.db2.gz QMOKPBNLSCTXKD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480333090 1062668472 /nfs/dbraw/zinc/66/84/72/1062668472.db2.gz QMOKPBNLSCTXKD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480333090 1062668488 /nfs/dbraw/zinc/66/84/88/1062668488.db2.gz QMOKPBNLSCTXKD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001480384721 1062766475 /nfs/dbraw/zinc/76/64/75/1062766475.db2.gz CJRHWOKRUJCBQD-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384721 1062766488 /nfs/dbraw/zinc/76/64/88/1062766488.db2.gz CJRHWOKRUJCBQD-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384721 1062766501 /nfs/dbraw/zinc/76/65/01/1062766501.db2.gz CJRHWOKRUJCBQD-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001480404014 1062811326 /nfs/dbraw/zinc/81/13/26/1062811326.db2.gz YGDJMBWKKADXNQ-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001507414582 1063252887 /nfs/dbraw/zinc/25/28/87/1063252887.db2.gz SEROMXHQPMJQKS-LSDHHAIUSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001493394167 1063765991 /nfs/dbraw/zinc/76/59/91/1063765991.db2.gz RGTKRHHIYCFVQX-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054935 1064106337 /nfs/dbraw/zinc/10/63/37/1064106337.db2.gz LRFMSJCJNWFVSE-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054935 1064106338 /nfs/dbraw/zinc/10/63/38/1064106338.db2.gz LRFMSJCJNWFVSE-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567347706 1064153951 /nfs/dbraw/zinc/15/39/51/1064153951.db2.gz MQZQTZGFDMFWSA-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567347706 1064153955 /nfs/dbraw/zinc/15/39/55/1064153955.db2.gz MQZQTZGFDMFWSA-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001567452322 1064203678 /nfs/dbraw/zinc/20/36/78/1064203678.db2.gz PMGPKFVNKSZZSO-UHFFFAOYSA-N 2 1 319.493 2.265 20 30 DEEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001494567025 1064321274 /nfs/dbraw/zinc/32/12/74/1064321274.db2.gz NRVKDWGCZWBSSY-QGZVFWFLSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567713200 1064370531 /nfs/dbraw/zinc/37/05/31/1064370531.db2.gz YSYMDTXNZROACL-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567713200 1064370538 /nfs/dbraw/zinc/37/05/38/1064370538.db2.gz YSYMDTXNZROACL-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567713200 1064370544 /nfs/dbraw/zinc/37/05/44/1064370544.db2.gz YSYMDTXNZROACL-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567712947 1064370799 /nfs/dbraw/zinc/37/07/99/1064370799.db2.gz SDLVCTPRTNIKFP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567712947 1064370807 /nfs/dbraw/zinc/37/08/07/1064370807.db2.gz SDLVCTPRTNIKFP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567712947 1064370813 /nfs/dbraw/zinc/37/08/13/1064370813.db2.gz SDLVCTPRTNIKFP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567731250 1064384040 /nfs/dbraw/zinc/38/40/40/1064384040.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567731250 1064384053 /nfs/dbraw/zinc/38/40/53/1064384053.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567731250 1064384059 /nfs/dbraw/zinc/38/40/59/1064384059.db2.gz KNQMKULRSHEMKV-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001567752069 1064403905 /nfs/dbraw/zinc/40/39/05/1064403905.db2.gz DCVBMIWTNXNMKW-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001494840016 1064501606 /nfs/dbraw/zinc/50/16/06/1064501606.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001494840016 1064501616 /nfs/dbraw/zinc/50/16/16/1064501616.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001494840016 1064501630 /nfs/dbraw/zinc/50/16/30/1064501630.db2.gz QHBCSZPHPAIABH-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567944894 1064549933 /nfs/dbraw/zinc/54/99/33/1064549933.db2.gz DFBYCGWGKIQUEF-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567944894 1064549940 /nfs/dbraw/zinc/54/99/40/1064549940.db2.gz DFBYCGWGKIQUEF-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494900537 1064560462 /nfs/dbraw/zinc/56/04/62/1064560462.db2.gz NTRJLIDSPFHKOV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001494900537 1064560471 /nfs/dbraw/zinc/56/04/71/1064560471.db2.gz NTRJLIDSPFHKOV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494900537 1064560483 /nfs/dbraw/zinc/56/04/83/1064560483.db2.gz NTRJLIDSPFHKOV-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001495415731 1064891929 /nfs/dbraw/zinc/89/19/29/1064891929.db2.gz OGURYNNZJCMWTO-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001495437942 1064903896 /nfs/dbraw/zinc/90/38/96/1064903896.db2.gz OPHHFAAKDVORPD-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632516 1065008529 /nfs/dbraw/zinc/00/85/29/1065008529.db2.gz MFVMDXHUHSDRGR-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568679316 1065046244 /nfs/dbraw/zinc/04/62/44/1065046244.db2.gz KUSBUUNGCGJQPC-JQHSSLGASA-N 2 1 315.461 2.002 20 30 DEEDMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001496512353 1065522122 /nfs/dbraw/zinc/52/21/22/1065522122.db2.gz DYOVIYNBERMAMV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001496512353 1065522131 /nfs/dbraw/zinc/52/21/31/1065522131.db2.gz DYOVIYNBERMAMV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001496512353 1065522140 /nfs/dbraw/zinc/52/21/40/1065522140.db2.gz DYOVIYNBERMAMV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569467672 1065524425 /nfs/dbraw/zinc/52/44/25/1065524425.db2.gz QYBCNRURCKXHFM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563965 1065563971 /nfs/dbraw/zinc/56/39/71/1065563971.db2.gz AFUQVSIEKRTOTQ-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001625757480 1078251041 /nfs/dbraw/zinc/25/10/41/1078251041.db2.gz OFNAPAAKLMBEQA-SFHVURJKSA-N 2 1 317.477 2.377 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001570313754 1066014517 /nfs/dbraw/zinc/01/45/17/1066014517.db2.gz JMSINKGVNNDQEY-KRWDZBQOSA-N 2 1 301.434 2.145 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](CC)[NH+](C)C)cc2C1 ZINC001570313754 1066014528 /nfs/dbraw/zinc/01/45/28/1066014528.db2.gz JMSINKGVNNDQEY-KRWDZBQOSA-N 2 1 301.434 2.145 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001570517845 1066102125 /nfs/dbraw/zinc/10/21/25/1066102125.db2.gz VDDRRMWPQPVCDC-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001498402158 1066682394 /nfs/dbraw/zinc/68/23/94/1066682394.db2.gz YGFVRTQHQAJZHK-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001498402158 1066682400 /nfs/dbraw/zinc/68/24/00/1066682400.db2.gz YGFVRTQHQAJZHK-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001498904547 1066949174 /nfs/dbraw/zinc/94/91/74/1066949174.db2.gz VJVLJVZDXKCXID-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001499130756 1067110214 /nfs/dbraw/zinc/11/02/14/1067110214.db2.gz BXYOWLBVCFWTFC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP N#Cc1ccc(C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066760 1067488163 /nfs/dbraw/zinc/48/81/63/1067488163.db2.gz SOFXIFMWIVNEGF-RTBURBONSA-N 2 1 311.429 2.291 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550597 1068001975 /nfs/dbraw/zinc/00/19/75/1068001975.db2.gz BHTQUVOTAVDNGK-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267181786 1078645509 /nfs/dbraw/zinc/64/55/09/1078645509.db2.gz NNMOHPZXNCBGQK-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181786 1078645530 /nfs/dbraw/zinc/64/55/30/1078645530.db2.gz NNMOHPZXNCBGQK-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181786 1078645549 /nfs/dbraw/zinc/64/55/49/1078645549.db2.gz NNMOHPZXNCBGQK-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284072798 1078646745 /nfs/dbraw/zinc/64/67/45/1078646745.db2.gz WCNDLVSEVWDNGX-SOLBZPMBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001571503705 1068363102 /nfs/dbraw/zinc/36/31/02/1068363102.db2.gz UUMCILLNHIJJLV-YQVWRLOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639419 1068453636 /nfs/dbraw/zinc/45/36/36/1068453636.db2.gz NQZIYHFUXQXBKC-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001521462340 1069244975 /nfs/dbraw/zinc/24/49/75/1069244975.db2.gz DCMWMXWDYGQHBJ-CRAIPNDOSA-N 2 1 315.461 2.233 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC(=C)C)C(C)C)CC1 ZINC001267512126 1078941773 /nfs/dbraw/zinc/94/17/73/1078941773.db2.gz BABOXQBAOYLNND-UHFFFAOYSA-N 2 1 319.493 2.124 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001649433064 1079116072 /nfs/dbraw/zinc/11/60/72/1079116072.db2.gz FTRGGCSFPVQKOB-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267603679 1079168356 /nfs/dbraw/zinc/16/83/56/1079168356.db2.gz WQMRWYNSIDNKQU-QGZVFWFLSA-N 2 1 309.498 2.319 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001483959647 1079204091 /nfs/dbraw/zinc/20/40/91/1079204091.db2.gz ZTTZSJIJTAGIOV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484122046 1079312409 /nfs/dbraw/zinc/31/24/09/1079312409.db2.gz OSXIDLOQXYOBHZ-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267661557 1079352059 /nfs/dbraw/zinc/35/20/59/1079352059.db2.gz KPNDWQRLUPWXNA-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068292 1075132324 /nfs/dbraw/zinc/13/23/24/1075132324.db2.gz AMQOXMFMNUMDPL-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1=O ZINC001560068292 1075132327 /nfs/dbraw/zinc/13/23/27/1075132327.db2.gz AMQOXMFMNUMDPL-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685133 1079373192 /nfs/dbraw/zinc/37/31/92/1079373192.db2.gz YYAYWHFOIFTFBW-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001566601058 1075294464 /nfs/dbraw/zinc/29/44/64/1075294464.db2.gz VIFSBCXYYOFHFJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001566609443 1075296193 /nfs/dbraw/zinc/29/61/93/1075296193.db2.gz VLVHDDYESOFVKQ-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566739833 1075330735 /nfs/dbraw/zinc/33/07/35/1075330735.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566739833 1075330741 /nfs/dbraw/zinc/33/07/41/1075330741.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566739833 1075330751 /nfs/dbraw/zinc/33/07/51/1075330751.db2.gz KZMFTDLURQJIEL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001566854947 1075363018 /nfs/dbraw/zinc/36/30/18/1075363018.db2.gz QZZALGPULDWPPX-IXDOHACOSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001567137336 1075441941 /nfs/dbraw/zinc/44/19/41/1075441941.db2.gz LGPPILHBJIESIM-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001567195661 1075460395 /nfs/dbraw/zinc/46/03/95/1075460395.db2.gz BDHNVMHUCZZCEC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567195661 1075460398 /nfs/dbraw/zinc/46/03/98/1075460398.db2.gz BDHNVMHUCZZCEC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001567195661 1075460401 /nfs/dbraw/zinc/46/04/01/1075460401.db2.gz BDHNVMHUCZZCEC-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001272681806 1079539057 /nfs/dbraw/zinc/53/90/57/1079539057.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 2 1 315.461 2.262 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272681806 1079539062 /nfs/dbraw/zinc/53/90/62/1079539062.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 2 1 315.461 2.262 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272681806 1079539072 /nfs/dbraw/zinc/53/90/72/1079539072.db2.gz BVVCPSCFMREDCE-MRXNPFEDSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001481320294 1079716958 /nfs/dbraw/zinc/71/69/58/1079716958.db2.gz XYSTVXJLRIZEQH-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001484721706 1079757543 /nfs/dbraw/zinc/75/75/43/1079757543.db2.gz LWXCLFPQYDQBOV-HZPDHXFCSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001481401290 1079787324 /nfs/dbraw/zinc/78/73/24/1079787324.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001481401290 1079787332 /nfs/dbraw/zinc/78/73/32/1079787332.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001481401290 1079787339 /nfs/dbraw/zinc/78/73/39/1079787339.db2.gz VRSIGQZNQQQURG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481409833 1079798565 /nfs/dbraw/zinc/79/85/65/1079798565.db2.gz ULFDLQHBIHWGEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481409833 1079798570 /nfs/dbraw/zinc/79/85/70/1079798570.db2.gz ULFDLQHBIHWGEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481409833 1079798578 /nfs/dbraw/zinc/79/85/78/1079798578.db2.gz ULFDLQHBIHWGEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268081979 1080034933 /nfs/dbraw/zinc/03/49/33/1080034933.db2.gz YRUDUBFSZNYRQX-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485255572 1080103517 /nfs/dbraw/zinc/10/35/17/1080103517.db2.gz LYGLSFYRRMKPLW-KRWDZBQOSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001656909880 1080138617 /nfs/dbraw/zinc/13/86/17/1080138617.db2.gz SIPPSGMVSQHFTH-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485470519 1080234627 /nfs/dbraw/zinc/23/46/27/1080234627.db2.gz YDXONIPMXZMWNH-CVEARBPZSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570363 1080303211 /nfs/dbraw/zinc/30/32/11/1080303211.db2.gz BUMXYWRYAVDVAU-CABCVRRESA-N 2 1 313.461 2.069 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001485740141 1080401266 /nfs/dbraw/zinc/40/12/66/1080401266.db2.gz HYQVTDYIMRZOLD-IAGOWNOFSA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001485784867 1080432513 /nfs/dbraw/zinc/43/25/13/1080432513.db2.gz DVGQDLATYLRDPH-DLBZAZTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001661213160 1080457614 /nfs/dbraw/zinc/45/76/14/1080457614.db2.gz MGMSMMWGEWUGHO-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001661213160 1080457616 /nfs/dbraw/zinc/45/76/16/1080457616.db2.gz MGMSMMWGEWUGHO-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001661213160 1080457619 /nfs/dbraw/zinc/45/76/19/1080457619.db2.gz MGMSMMWGEWUGHO-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661231037 1080460277 /nfs/dbraw/zinc/46/02/77/1080460277.db2.gz CKRGUFLOLWQUST-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001661231037 1080460286 /nfs/dbraw/zinc/46/02/86/1080460286.db2.gz CKRGUFLOLWQUST-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001661231037 1080460291 /nfs/dbraw/zinc/46/02/91/1080460291.db2.gz CKRGUFLOLWQUST-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001661467264 1080484619 /nfs/dbraw/zinc/48/46/19/1080484619.db2.gz ADOBUFMHVXXOCL-DRRXZNNHSA-N 2 1 307.482 2.308 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986449 1080493778 /nfs/dbraw/zinc/49/37/78/1080493778.db2.gz PRVUGXXPPLOADY-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001661881463 1080539029 /nfs/dbraw/zinc/53/90/29/1080539029.db2.gz YTJGEIVQTYBAPJ-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001661929669 1080545254 /nfs/dbraw/zinc/54/52/54/1080545254.db2.gz ISKYVHXPYPLVFW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663423474 1080745556 /nfs/dbraw/zinc/74/55/56/1080745556.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663423474 1080745564 /nfs/dbraw/zinc/74/55/64/1080745564.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663423474 1080745571 /nfs/dbraw/zinc/74/55/71/1080745571.db2.gz TWTTWOIBKOVEFO-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663548654 1080771734 /nfs/dbraw/zinc/77/17/34/1080771734.db2.gz UYESRBSPXGVNSO-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001664687165 1080943603 /nfs/dbraw/zinc/94/36/03/1080943603.db2.gz PYZGXLSTEKYYJP-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001664841626 1080970596 /nfs/dbraw/zinc/97/05/96/1080970596.db2.gz JMLAOZMSMXCKNR-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001664841626 1080970599 /nfs/dbraw/zinc/97/05/99/1080970599.db2.gz JMLAOZMSMXCKNR-MRXNPFEDSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268762403 1080972856 /nfs/dbraw/zinc/97/28/56/1080972856.db2.gz HWHLQPOSWDQJLM-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268762404 1080972909 /nfs/dbraw/zinc/97/29/09/1080972909.db2.gz HWHLQPOSWDQJLM-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001664891348 1080976898 /nfs/dbraw/zinc/97/68/98/1080976898.db2.gz UZZHPQDXWZPDQN-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269251147 1081183953 /nfs/dbraw/zinc/18/39/53/1081183953.db2.gz LXBYBEXBFYEALG-HOTGVXAUSA-N 2 1 304.438 2.189 20 30 DEEDMP C=CCN1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001269251147 1081183956 /nfs/dbraw/zinc/18/39/56/1081183956.db2.gz LXBYBEXBFYEALG-HOTGVXAUSA-N 2 1 304.438 2.189 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001667216892 1081225948 /nfs/dbraw/zinc/22/59/48/1081225948.db2.gz LELXYEOKLCQQFM-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001667216892 1081225954 /nfs/dbraw/zinc/22/59/54/1081225954.db2.gz LELXYEOKLCQQFM-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667695088 1081274880 /nfs/dbraw/zinc/27/48/80/1081274880.db2.gz UUPGJQMJZVRROJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269699789 1081337781 /nfs/dbraw/zinc/33/77/81/1081337781.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269699789 1081337787 /nfs/dbraw/zinc/33/77/87/1081337787.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269699789 1081337793 /nfs/dbraw/zinc/33/77/93/1081337793.db2.gz JNEMEWFDWMHSNG-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668883879 1081407047 /nfs/dbraw/zinc/40/70/47/1081407047.db2.gz VARPHMZPJHRGNS-SGUAIBKKSA-N 2 1 305.466 2.232 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001269971354 1081413055 /nfs/dbraw/zinc/41/30/55/1081413055.db2.gz GNQOZNMPLDVGEL-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001669001055 1081417783 /nfs/dbraw/zinc/41/77/83/1081417783.db2.gz KCNZOPAZKAPBKP-IHGMSIMLSA-N 2 1 307.482 2.333 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001270269232 1081491045 /nfs/dbraw/zinc/49/10/45/1081491045.db2.gz WVNVUKKYQYVBMT-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517581 1081541915 /nfs/dbraw/zinc/54/19/15/1081541915.db2.gz RDTMUDKZUGDFHL-GDBMZVCRSA-N 2 1 318.465 2.062 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444529 1081714182 /nfs/dbraw/zinc/71/41/82/1081714182.db2.gz VJKOHFUMHYCNML-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408266 1081820536 /nfs/dbraw/zinc/82/05/36/1081820536.db2.gz QESAGFJXFFMRLB-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408266 1081820547 /nfs/dbraw/zinc/82/05/47/1081820547.db2.gz QESAGFJXFFMRLB-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408266 1081820557 /nfs/dbraw/zinc/82/05/57/1081820557.db2.gz QESAGFJXFFMRLB-DZUCGIPZSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674500131 1081884338 /nfs/dbraw/zinc/88/43/38/1081884338.db2.gz WTDLEHVQMULOCQ-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001674500131 1081884346 /nfs/dbraw/zinc/88/43/46/1081884346.db2.gz WTDLEHVQMULOCQ-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001271103159 1081910507 /nfs/dbraw/zinc/91/05/07/1081910507.db2.gz VUGADQIIKQXUOL-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266247344 1081915359 /nfs/dbraw/zinc/91/53/59/1081915359.db2.gz IXVUWPWUHBYKSU-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001266468212 1082056521 /nfs/dbraw/zinc/05/65/21/1082056521.db2.gz MDQYOJAHURUDDS-DLBZAZTESA-N 2 1 316.449 2.074 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001266614207 1082212303 /nfs/dbraw/zinc/21/23/03/1082212303.db2.gz WSKDMNIRNKTTKG-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001266614207 1082212308 /nfs/dbraw/zinc/21/23/08/1082212308.db2.gz WSKDMNIRNKTTKG-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266701103 1082292945 /nfs/dbraw/zinc/29/29/45/1082292945.db2.gz GDYNKMXUNDBRPL-IYBDPMFKSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001671138564 1083403389 /nfs/dbraw/zinc/40/33/89/1083403389.db2.gz ZZWYMFFNIAZDNQ-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614162 1083519184 /nfs/dbraw/zinc/51/91/84/1083519184.db2.gz UUFVKJSPXLZYDO-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001277359871 1083926336 /nfs/dbraw/zinc/92/63/36/1083926336.db2.gz KKJNZUHCLDSEEJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001490957857 1083973012 /nfs/dbraw/zinc/97/30/12/1083973012.db2.gz FYSREUHGODSWJT-ULQDDVLXSA-N 2 1 301.434 2.102 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729594 1084163222 /nfs/dbraw/zinc/16/32/22/1084163222.db2.gz LKWGBEQTWVXYBP-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001491354362 1084251930 /nfs/dbraw/zinc/25/19/30/1084251930.db2.gz HHNANPFXFFLMID-SJJHQCBESA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001272870139 1084401182 /nfs/dbraw/zinc/40/11/82/1084401182.db2.gz IRYLHJMYCSPMLH-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC(C)(C)C[NH+](C)C)C1=O ZINC001272870139 1084401187 /nfs/dbraw/zinc/40/11/87/1084401187.db2.gz IRYLHJMYCSPMLH-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)cc1C#N ZINC001277939580 1084404407 /nfs/dbraw/zinc/40/44/07/1084404407.db2.gz XZVZJBFFQFDWCB-UHFFFAOYSA-N 2 1 311.433 2.098 20 30 DEEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)cc1C#N ZINC001277939580 1084404410 /nfs/dbraw/zinc/40/44/10/1084404410.db2.gz XZVZJBFFQFDWCB-UHFFFAOYSA-N 2 1 311.433 2.098 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425470 1084426721 /nfs/dbraw/zinc/42/67/21/1084426721.db2.gz LHQGLVJNHZQJPV-IRXDYDNUSA-N 2 1 323.481 2.343 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236072618 1084602707 /nfs/dbraw/zinc/60/27/07/1084602707.db2.gz GUJWDKKXRJDVTE-SFHVURJKSA-N 2 1 315.461 2.249 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236072616 1084603270 /nfs/dbraw/zinc/60/32/70/1084603270.db2.gz GUJWDKKXRJDVTE-GOSISDBHSA-N 2 1 315.461 2.249 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486159348 1085099493 /nfs/dbraw/zinc/09/94/93/1085099493.db2.gz GEEKABIMYMGHJR-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964014954 1085146969 /nfs/dbraw/zinc/14/69/69/1085146969.db2.gz HAPZHUYHHDNARY-ABHNRTSZSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000964437230 1085227609 /nfs/dbraw/zinc/22/76/09/1085227609.db2.gz NVSAPWIKOUDJIF-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001486409696 1085280010 /nfs/dbraw/zinc/28/00/10/1085280010.db2.gz IQTXTVHQDXHKCG-HOCLYGCPSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000965061228 1085510255 /nfs/dbraw/zinc/51/02/55/1085510255.db2.gz AUTADTYDEZGPHQ-JFPDKAJLSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000957424078 1088277592 /nfs/dbraw/zinc/27/75/92/1088277592.db2.gz CJRNSFWCXODHLG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000957424078 1088277611 /nfs/dbraw/zinc/27/76/11/1088277611.db2.gz CJRNSFWCXODHLG-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000957579374 1088423124 /nfs/dbraw/zinc/42/31/24/1088423124.db2.gz NZPCBGBGIKSTQD-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114832001 1088919800 /nfs/dbraw/zinc/91/98/00/1088919800.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832001 1088919818 /nfs/dbraw/zinc/91/98/18/1088919818.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832001 1088919831 /nfs/dbraw/zinc/91/98/31/1088919831.db2.gz JOLQFOAQZPRITJ-VXNCWWDNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035736 1090605944 /nfs/dbraw/zinc/60/59/44/1090605944.db2.gz OJQZJZGRJIJUTD-IKGGRYGDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCCCCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276042851 1091474411 /nfs/dbraw/zinc/47/44/11/1091474411.db2.gz JECGGCVTFUJTIL-KDURUIRLSA-N 2 1 323.525 2.460 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275042360 1091528374 /nfs/dbraw/zinc/52/83/74/1091528374.db2.gz IKPYNYMIGZHEOR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557445 1091545085 /nfs/dbraw/zinc/54/50/85/1091545085.db2.gz GUODRIGCVOMCIG-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001275114730 1091564438 /nfs/dbraw/zinc/56/44/38/1091564438.db2.gz KQUDPIVVTWAFLS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275114730 1091564449 /nfs/dbraw/zinc/56/44/49/1091564449.db2.gz KQUDPIVVTWAFLS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275114730 1091564458 /nfs/dbraw/zinc/56/44/58/1091564458.db2.gz KQUDPIVVTWAFLS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275126556 1091572111 /nfs/dbraw/zinc/57/21/11/1091572111.db2.gz LTGPPLRWSJWBMJ-HOTGVXAUSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001273475818 1091869124 /nfs/dbraw/zinc/86/91/24/1091869124.db2.gz UAZPDXXMNADLQO-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832861 1091959835 /nfs/dbraw/zinc/95/98/35/1091959835.db2.gz CHQDODKWNAAGFS-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829404 1091960175 /nfs/dbraw/zinc/96/01/75/1091960175.db2.gz MMVPTXHADPJNEK-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001280744635 1092107823 /nfs/dbraw/zinc/10/78/23/1092107823.db2.gz NOBDOKXMIWRWED-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001490616724 1093447277 /nfs/dbraw/zinc/44/72/77/1093447277.db2.gz KVBQIXJLGDETDS-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691729864 1138217022 /nfs/dbraw/zinc/21/70/22/1138217022.db2.gz VMXDKNCYHJASTR-BMFZPTHFSA-N 2 1 304.438 2.031 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957638 1138929988 /nfs/dbraw/zinc/92/99/88/1138929988.db2.gz SIOCCKCMHVITTC-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001318806094 1140423650 /nfs/dbraw/zinc/42/36/50/1140423650.db2.gz REDBUHCLNGPOOU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246719883 1141043885 /nfs/dbraw/zinc/04/38/85/1141043885.db2.gz HMXUCLXOFYRCTE-BRSBDYLESA-N 2 1 308.466 2.201 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CCC[NH2+]C1)[C@@H]2CC ZINC001246761256 1141054289 /nfs/dbraw/zinc/05/42/89/1141054289.db2.gz NFJPCHIROFAOII-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCC[NH2+]C1)[C@@H]2CC ZINC001246761256 1141054298 /nfs/dbraw/zinc/05/42/98/1141054298.db2.gz NFJPCHIROFAOII-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CCC(c2nnc(CC[NH+]3CCC(C)CC3)o2)CC1 ZINC001322538989 1141623167 /nfs/dbraw/zinc/62/31/67/1141623167.db2.gz YMXDOPLAWXLXBM-UHFFFAOYSA-N 2 1 316.449 2.157 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860222 1141894334 /nfs/dbraw/zinc/89/43/34/1141894334.db2.gz OXZSUNOXGCDLGR-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001323920906 1141898996 /nfs/dbraw/zinc/89/89/96/1141898996.db2.gz ILCMKSRZAXFNGC-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCOC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470206 1142722896 /nfs/dbraw/zinc/72/28/96/1142722896.db2.gz IWOKXSPABFIJPR-RBUKOAKNSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001252470206 1142722903 /nfs/dbraw/zinc/72/29/03/1142722903.db2.gz IWOKXSPABFIJPR-RBUKOAKNSA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252470206 1142722911 /nfs/dbraw/zinc/72/29/11/1142722911.db2.gz IWOKXSPABFIJPR-RBUKOAKNSA-N 2 1 318.461 2.004 20 30 DEEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664138 1143305631 /nfs/dbraw/zinc/30/56/31/1143305631.db2.gz UKWQGJOYANCKID-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664138 1143305638 /nfs/dbraw/zinc/30/56/38/1143305638.db2.gz UKWQGJOYANCKID-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664138 1143305643 /nfs/dbraw/zinc/30/56/43/1143305643.db2.gz UKWQGJOYANCKID-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC001340773050 1143437152 /nfs/dbraw/zinc/43/71/52/1143437152.db2.gz GRNKECKNZKSSTH-NSHDSACASA-N 2 1 308.451 2.143 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](C)CC1)CC2 ZINC001256205237 1143835909 /nfs/dbraw/zinc/83/59/09/1143835909.db2.gz RLNCEPWCMDEDAN-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](C)CC1)CC2 ZINC001256205237 1143835911 /nfs/dbraw/zinc/83/59/11/1143835911.db2.gz RLNCEPWCMDEDAN-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001278929863 1143843016 /nfs/dbraw/zinc/84/30/16/1143843016.db2.gz NGMYFUANXVNIEF-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001278929863 1143843018 /nfs/dbraw/zinc/84/30/18/1143843018.db2.gz NGMYFUANXVNIEF-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001278929863 1143843019 /nfs/dbraw/zinc/84/30/19/1143843019.db2.gz NGMYFUANXVNIEF-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463132 /nfs/dbraw/zinc/46/31/32/1144463132.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463146 /nfs/dbraw/zinc/46/31/46/1144463146.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001264096512 1144463154 /nfs/dbraw/zinc/46/31/54/1144463154.db2.gz MKTBTMRGRJWUKW-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001264740541 1144604454 /nfs/dbraw/zinc/60/44/54/1144604454.db2.gz WJPWVGVSQXBSQI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001264740541 1144604459 /nfs/dbraw/zinc/60/44/59/1144604459.db2.gz WJPWVGVSQXBSQI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001264740541 1144604468 /nfs/dbraw/zinc/60/44/68/1144604468.db2.gz WJPWVGVSQXBSQI-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001265193706 1144664228 /nfs/dbraw/zinc/66/42/28/1144664228.db2.gz REPCBNSPZMITHF-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265670984 1144725564 /nfs/dbraw/zinc/72/55/64/1144725564.db2.gz YXPIBLFKIPIOSR-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266219130 1144815463 /nfs/dbraw/zinc/81/54/63/1144815463.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266219130 1144815464 /nfs/dbraw/zinc/81/54/64/1144815464.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001266219130 1144815465 /nfs/dbraw/zinc/81/54/65/1144815465.db2.gz WEFHKVKMOPMVFZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266230886 1144816857 /nfs/dbraw/zinc/81/68/57/1144816857.db2.gz VWURVSLQIDDBKY-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576228 1144824960 /nfs/dbraw/zinc/82/49/60/1144824960.db2.gz LTPJQLHKZPHMDL-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001279576228 1144824961 /nfs/dbraw/zinc/82/49/61/1144824961.db2.gz LTPJQLHKZPHMDL-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001279576228 1144824962 /nfs/dbraw/zinc/82/49/62/1144824962.db2.gz LTPJQLHKZPHMDL-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589711 1144825304 /nfs/dbraw/zinc/82/53/04/1144825304.db2.gz YWRSWFMYEXJBKC-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001283066886 1145254804 /nfs/dbraw/zinc/25/48/04/1145254804.db2.gz IAGMDMDKIASOJB-WKILWMFISA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283351719 1145373967 /nfs/dbraw/zinc/37/39/67/1145373967.db2.gz YPDHMBXULHKJQS-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001284544897 1145869465 /nfs/dbraw/zinc/86/94/65/1145869465.db2.gz QADHEKXAKOXJNY-GOSISDBHSA-N 2 1 321.509 2.443 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284605585 1145878289 /nfs/dbraw/zinc/87/82/89/1145878289.db2.gz YQQWKXFEXQNMNR-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284996565 1146004632 /nfs/dbraw/zinc/00/46/32/1146004632.db2.gz XYMXSHOHISDWEL-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001480656465 1146018990 /nfs/dbraw/zinc/01/89/90/1146018990.db2.gz BTGQTYMELINXIX-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491950469 1147015327 /nfs/dbraw/zinc/01/53/27/1147015327.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491950469 1147015334 /nfs/dbraw/zinc/01/53/34/1147015334.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491950469 1147015337 /nfs/dbraw/zinc/01/53/37/1147015337.db2.gz AOHLYSYOOPMDRZ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317205868 1147274803 /nfs/dbraw/zinc/27/48/03/1147274803.db2.gz FSLZUIFFZPPGRF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205868 1147274811 /nfs/dbraw/zinc/27/48/11/1147274811.db2.gz FSLZUIFFZPPGRF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205868 1147274817 /nfs/dbraw/zinc/27/48/17/1147274817.db2.gz FSLZUIFFZPPGRF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316680194 1147300254 /nfs/dbraw/zinc/30/02/54/1147300254.db2.gz PTDXXNFXQNODTJ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001316802878 1147602209 /nfs/dbraw/zinc/60/22/09/1147602209.db2.gz RQIWGUTXDLAIPR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316802878 1147602215 /nfs/dbraw/zinc/60/22/15/1147602215.db2.gz RQIWGUTXDLAIPR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316802878 1147602219 /nfs/dbraw/zinc/60/22/19/1147602219.db2.gz RQIWGUTXDLAIPR-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317173660 1147670714 /nfs/dbraw/zinc/67/07/14/1147670714.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173660 1147670715 /nfs/dbraw/zinc/67/07/15/1147670715.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173660 1147670716 /nfs/dbraw/zinc/67/07/16/1147670716.db2.gz PWGNMICSBSGMJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001317217773 1147678797 /nfs/dbraw/zinc/67/87/97/1147678797.db2.gz WXUFRMDNDNKWPE-UHFFFAOYSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317379380 1147699790 /nfs/dbraw/zinc/69/97/90/1147699790.db2.gz NSVAABISDWNCHC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001317510078 1147717653 /nfs/dbraw/zinc/71/76/53/1147717653.db2.gz LHZVELDLDZHYCQ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001317510078 1147717655 /nfs/dbraw/zinc/71/76/55/1147717655.db2.gz LHZVELDLDZHYCQ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001367762152 1147739214 /nfs/dbraw/zinc/73/92/14/1147739214.db2.gz YLFUCEOSZVDEPT-SWLSCSKDSA-N 2 1 319.852 2.046 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001317786490 1147752444 /nfs/dbraw/zinc/75/24/44/1147752444.db2.gz AJXDZVDCOPZMND-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317786490 1147752445 /nfs/dbraw/zinc/75/24/45/1147752445.db2.gz AJXDZVDCOPZMND-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317786490 1147752447 /nfs/dbraw/zinc/75/24/47/1147752447.db2.gz AJXDZVDCOPZMND-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001325839794 1148006649 /nfs/dbraw/zinc/00/66/49/1148006649.db2.gz GHKKBSCUVTZPHB-INIZCTEOSA-N 2 1 314.433 2.208 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001326526098 1148131631 /nfs/dbraw/zinc/13/16/31/1148131631.db2.gz ZXIMROKUOBUACX-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000330145767 282177535 /nfs/dbraw/zinc/17/75/35/282177535.db2.gz SLMBPQSIXFSOTA-NUEKZKHPSA-N 2 1 302.422 2.337 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000330145767 282177536 /nfs/dbraw/zinc/17/75/36/282177536.db2.gz SLMBPQSIXFSOTA-NUEKZKHPSA-N 2 1 302.422 2.337 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377715189 133343062 /nfs/dbraw/zinc/34/30/62/133343062.db2.gz BJJZZRLFCTXNRD-LPHOPBHVSA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377715189 133343063 /nfs/dbraw/zinc/34/30/63/133343063.db2.gz BJJZZRLFCTXNRD-LPHOPBHVSA-N 2 1 312.461 2.331 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC(C)CC2)cn1 ZINC000122453069 402079608 /nfs/dbraw/zinc/07/96/08/402079608.db2.gz WQVTXQJHEOHBJN-UHFFFAOYSA-N 2 1 312.421 2.122 20 30 DEEDMP CC#CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285815021 403386776 /nfs/dbraw/zinc/38/67/76/403386776.db2.gz GOHTUDJPLIXFFV-FQEVSTJZSA-N 2 1 311.473 2.292 20 30 DEEDMP CC#CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285815021 403386778 /nfs/dbraw/zinc/38/67/78/403386778.db2.gz GOHTUDJPLIXFFV-FQEVSTJZSA-N 2 1 311.473 2.292 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000295047328 403741921 /nfs/dbraw/zinc/74/19/21/403741921.db2.gz PYQNEGNPTQBEEV-INIZCTEOSA-N 2 1 313.445 2.419 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000295047328 403741925 /nfs/dbraw/zinc/74/19/25/403741925.db2.gz PYQNEGNPTQBEEV-INIZCTEOSA-N 2 1 313.445 2.419 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000328097032 404104174 /nfs/dbraw/zinc/10/41/74/404104174.db2.gz JYPVPVFXVDSZMR-MRXNPFEDSA-N 2 1 323.481 2.321 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000328097032 404104181 /nfs/dbraw/zinc/10/41/81/404104181.db2.gz JYPVPVFXVDSZMR-MRXNPFEDSA-N 2 1 323.481 2.321 20 30 DEEDMP C[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000370112859 404339738 /nfs/dbraw/zinc/33/97/38/404339738.db2.gz PXANTCZGVJMROF-MRXNPFEDSA-N 2 1 316.424 2.350 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000371331849 404457635 /nfs/dbraw/zinc/45/76/35/404457635.db2.gz LCCVXPOQGJRQAY-QGZVFWFLSA-N 2 1 306.498 2.417 20 30 DEEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000342554833 404647553 /nfs/dbraw/zinc/64/75/53/404647553.db2.gz RWRIXXDKBIQDJT-UHFFFAOYSA-N 2 1 322.497 2.192 20 30 DEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414791819 404736826 /nfs/dbraw/zinc/73/68/26/404736826.db2.gz RGOXEXGGDJDWHA-KRWDZBQOSA-N 2 1 316.445 2.439 20 30 DEEDMP C=CC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000458988998 405680118 /nfs/dbraw/zinc/68/01/18/405680118.db2.gz OTJVMBQIJGIKSD-INIZCTEOSA-N 2 1 324.513 2.256 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644549022 407140455 /nfs/dbraw/zinc/14/04/55/407140455.db2.gz DIBPPGOYEWOCCE-UHFFFAOYSA-N 2 1 305.397 2.394 20 30 DEEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657884362 425413868 /nfs/dbraw/zinc/41/38/68/425413868.db2.gz RQAGEKXQXCSMSD-QYZOEREBSA-N 2 1 321.509 2.117 20 30 DEEDMP CC[C@]1(C)CCN(C(NC[C@]2([NH+](C)C)CCSC2)=[NH+]C)C1 ZINC000261859622 288441434 /nfs/dbraw/zinc/44/14/34/288441434.db2.gz ZDOJAGRSWMEIEY-HZPDHXFCSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC001349912143 1151306402 /nfs/dbraw/zinc/30/64/02/1151306402.db2.gz UPGQGFSOWFYYHG-KRWDZBQOSA-N 2 1 302.466 2.426 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119610569 332255959 /nfs/dbraw/zinc/25/59/59/332255959.db2.gz ROQRTRGYAOCNEF-CALCHBBNSA-N 2 1 306.498 2.417 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119610569 332255960 /nfs/dbraw/zinc/25/59/60/332255960.db2.gz ROQRTRGYAOCNEF-CALCHBBNSA-N 2 1 306.498 2.417 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000571875662 337579615 /nfs/dbraw/zinc/57/96/15/337579615.db2.gz VAHHUJUWHYNZHG-MRXNPFEDSA-N 2 1 322.424 2.196 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001329824926 1149000205 /nfs/dbraw/zinc/00/02/05/1149000205.db2.gz LWSAVOYOOPRJFI-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001330061174 1149044159 /nfs/dbraw/zinc/04/41/59/1149044159.db2.gz OHPQGRMMJODWAS-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330229306 1149074330 /nfs/dbraw/zinc/07/43/30/1149074330.db2.gz DJMHHISFMASKOA-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](CC(C)C)C1 ZINC000262471501 526371883 /nfs/dbraw/zinc/37/18/83/526371883.db2.gz OZPOKIXUWUCWHV-CVEARBPZSA-N 2 1 306.498 2.414 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442779258 526374458 /nfs/dbraw/zinc/37/44/58/526374458.db2.gz LSPYKOUDVQQHJO-ILXRZTDVSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442779258 526374461 /nfs/dbraw/zinc/37/44/61/526374461.db2.gz LSPYKOUDVQQHJO-ILXRZTDVSA-N 2 1 321.490 2.320 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)NC[C@@H]1CCCS1 ZINC000261978973 526375098 /nfs/dbraw/zinc/37/50/98/526375098.db2.gz OLIDEKCJAOKGRZ-ILXRZTDVSA-N 2 1 312.527 2.310 20 30 DEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000422838611 527651689 /nfs/dbraw/zinc/65/16/89/527651689.db2.gz XTICXQKQKKIBNF-BSDSXHPESA-N 2 1 309.498 2.027 20 30 DEEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261950195 528804767 /nfs/dbraw/zinc/80/47/67/528804767.db2.gz HDWMPEXNLQTCFZ-CZUORRHYSA-N 2 1 324.538 2.167 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[C@@H]1C ZINC000262842326 528817003 /nfs/dbraw/zinc/81/70/03/528817003.db2.gz UTCZSCHEHHVNMU-SWLSCSKDSA-N 2 1 312.421 2.039 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381173565 1152936552 /nfs/dbraw/zinc/93/65/52/1152936552.db2.gz NGSYFKXWNBXXIC-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001381173565 1152936554 /nfs/dbraw/zinc/93/65/54/1152936554.db2.gz NGSYFKXWNBXXIC-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253906 625309234 /nfs/dbraw/zinc/30/92/34/625309234.db2.gz YGEXKWPOHQQKBJ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253906 625309239 /nfs/dbraw/zinc/30/92/39/625309239.db2.gz YGEXKWPOHQQKBJ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253906 625309249 /nfs/dbraw/zinc/30/92/49/625309249.db2.gz YGEXKWPOHQQKBJ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553241 625323649 /nfs/dbraw/zinc/32/36/49/625323649.db2.gz YCYBFYMFJRMHSO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553241 625323652 /nfs/dbraw/zinc/32/36/52/625323652.db2.gz YCYBFYMFJRMHSO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553241 625323654 /nfs/dbraw/zinc/32/36/54/625323654.db2.gz YCYBFYMFJRMHSO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696941 625392838 /nfs/dbraw/zinc/39/28/38/625392838.db2.gz YZJDZMUUZUVCHC-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707066 625396104 /nfs/dbraw/zinc/39/61/04/625396104.db2.gz IOOZFXNNCVZJRO-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707066 625396107 /nfs/dbraw/zinc/39/61/07/625396107.db2.gz IOOZFXNNCVZJRO-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707066 625396110 /nfs/dbraw/zinc/39/61/10/625396110.db2.gz IOOZFXNNCVZJRO-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310299 625403076 /nfs/dbraw/zinc/40/30/76/625403076.db2.gz OYXZLGWWMPOUMB-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475147 625467081 /nfs/dbraw/zinc/46/70/81/625467081.db2.gz RRQJUCWUCYICBO-WBVHZDCISA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503430 625485998 /nfs/dbraw/zinc/48/59/98/625485998.db2.gz VAJFLWLZSIPFAN-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025904 623065881 /nfs/dbraw/zinc/06/58/81/623065881.db2.gz ALNHCBUOAMLDTR-NVXWUHKLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596976 625619638 /nfs/dbraw/zinc/61/96/38/625619638.db2.gz KQQHXRYMJBTCGV-CABCVRRESA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596976 625619641 /nfs/dbraw/zinc/61/96/41/625619641.db2.gz KQQHXRYMJBTCGV-CABCVRRESA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCN1CC([C@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970223221 623345637 /nfs/dbraw/zinc/34/56/37/623345637.db2.gz KRMLWVZOXSXGMM-AWEZNQCLSA-N 2 1 310.401 2.108 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319079 623400801 /nfs/dbraw/zinc/40/08/01/623400801.db2.gz RBKLFILCNGYYEQ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645756 623894216 /nfs/dbraw/zinc/89/42/16/623894216.db2.gz MNKCULDOYYGCKS-SJORKVTESA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892880563 625684318 /nfs/dbraw/zinc/68/43/18/625684318.db2.gz DQNWDKQBUOPAJB-CVEARBPZSA-N 2 1 312.429 2.250 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082049 624193945 /nfs/dbraw/zinc/19/39/45/624193945.db2.gz VBBVKGYTHBPEDT-YESZJQIVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971712295 624517344 /nfs/dbraw/zinc/51/73/44/624517344.db2.gz IPHLUKMJRHCXTN-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC000971712295 624517348 /nfs/dbraw/zinc/51/73/48/624517348.db2.gz IPHLUKMJRHCXTN-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971712295 624517350 /nfs/dbraw/zinc/51/73/50/624517350.db2.gz IPHLUKMJRHCXTN-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971712295 624517354 /nfs/dbraw/zinc/51/73/54/624517354.db2.gz IPHLUKMJRHCXTN-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972486231 625120899 /nfs/dbraw/zinc/12/08/99/625120899.db2.gz QWWWEHSBLUWLTG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486231 625120900 /nfs/dbraw/zinc/12/09/00/625120900.db2.gz QWWWEHSBLUWLTG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486231 625120901 /nfs/dbraw/zinc/12/09/01/625120901.db2.gz QWWWEHSBLUWLTG-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446190 625271826 /nfs/dbraw/zinc/27/18/26/625271826.db2.gz LNGQNPKYYAPYKS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446190 625271827 /nfs/dbraw/zinc/27/18/27/625271827.db2.gz LNGQNPKYYAPYKS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446190 625271832 /nfs/dbraw/zinc/27/18/32/625271832.db2.gz LNGQNPKYYAPYKS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446190 625271837 /nfs/dbraw/zinc/27/18/37/625271837.db2.gz LNGQNPKYYAPYKS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557487 625875899 /nfs/dbraw/zinc/87/58/99/625875899.db2.gz VFRCVAGLVGVHAS-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995919507 633139502 /nfs/dbraw/zinc/13/95/02/633139502.db2.gz RMLARZWKCVKETQ-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC000995983683 633153768 /nfs/dbraw/zinc/15/37/68/633153768.db2.gz HCAXPVWDBIMQPC-MRXNPFEDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771930 633295878 /nfs/dbraw/zinc/29/58/78/633295878.db2.gz ZOIMRDGUHLYKQI-MRXNPFEDSA-N 2 1 312.417 2.269 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975107577 633422611 /nfs/dbraw/zinc/42/26/11/633422611.db2.gz HGCNJAZYVGWWOJ-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107577 633422613 /nfs/dbraw/zinc/42/26/13/633422613.db2.gz HGCNJAZYVGWWOJ-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107577 633422614 /nfs/dbraw/zinc/42/26/14/633422614.db2.gz HGCNJAZYVGWWOJ-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112126 633428214 /nfs/dbraw/zinc/42/82/14/633428214.db2.gz QLWUHNHRGFKPFW-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975112126 633428215 /nfs/dbraw/zinc/42/82/15/633428215.db2.gz QLWUHNHRGFKPFW-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975112126 633428217 /nfs/dbraw/zinc/42/82/17/633428217.db2.gz QLWUHNHRGFKPFW-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975112126 633428218 /nfs/dbraw/zinc/42/82/18/633428218.db2.gz QLWUHNHRGFKPFW-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505112 633916042 /nfs/dbraw/zinc/91/60/42/633916042.db2.gz KEJYHKFTJONBBM-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541624 634060593 /nfs/dbraw/zinc/06/05/93/634060593.db2.gz WGWTVBRDAQWTOH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541624 634060596 /nfs/dbraw/zinc/06/05/96/634060596.db2.gz WGWTVBRDAQWTOH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541624 634060601 /nfs/dbraw/zinc/06/06/01/634060601.db2.gz WGWTVBRDAQWTOH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027883268 634857403 /nfs/dbraw/zinc/85/74/03/634857403.db2.gz HZMARDCAORSJGD-MRXNPFEDSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992518 635186112 /nfs/dbraw/zinc/18/61/12/635186112.db2.gz BTRADPBMXYCJAF-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683510 635276216 /nfs/dbraw/zinc/27/62/16/635276216.db2.gz ULDZXKVVEWKSSA-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683510 635276218 /nfs/dbraw/zinc/27/62/18/635276218.db2.gz ULDZXKVVEWKSSA-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000683510 635276226 /nfs/dbraw/zinc/27/62/26/635276226.db2.gz ULDZXKVVEWKSSA-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245102 635439995 /nfs/dbraw/zinc/43/99/95/635439995.db2.gz MCHIRNUNQMXOCB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001245102 635439998 /nfs/dbraw/zinc/43/99/98/635439998.db2.gz MCHIRNUNQMXOCB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001245102 635440002 /nfs/dbraw/zinc/44/00/02/635440002.db2.gz MCHIRNUNQMXOCB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001521959 635521588 /nfs/dbraw/zinc/52/15/88/635521588.db2.gz LAMLUOQZKGQUJY-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001925338 635578524 /nfs/dbraw/zinc/57/85/24/635578524.db2.gz PFUGGQDLDLUEDO-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809283 /nfs/dbraw/zinc/80/92/83/635809283.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809287 /nfs/dbraw/zinc/80/92/87/635809287.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982011391 635809289 /nfs/dbraw/zinc/80/92/89/635809289.db2.gz AGKKTNPUTMRPGR-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052382 635846125 /nfs/dbraw/zinc/84/61/25/635846125.db2.gz HUQDMZIEIHYADT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982054796 635847400 /nfs/dbraw/zinc/84/74/00/635847400.db2.gz JCIGOPAUUMCWAG-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003009796 635883491 /nfs/dbraw/zinc/88/34/91/635883491.db2.gz BLEGVHCRIYVLGC-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028251702 635960170 /nfs/dbraw/zinc/96/01/70/635960170.db2.gz JWIPVOAXDCOXAT-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384564 636151151 /nfs/dbraw/zinc/15/11/51/636151151.db2.gz DFXUSAMUWSPCJC-WCXIOVBPSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594844 636470557 /nfs/dbraw/zinc/47/05/57/636470557.db2.gz NGEGEUXHGXQAHI-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594844 636470559 /nfs/dbraw/zinc/47/05/59/636470559.db2.gz NGEGEUXHGXQAHI-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594844 636470563 /nfs/dbraw/zinc/47/05/63/636470563.db2.gz NGEGEUXHGXQAHI-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004615910 636502433 /nfs/dbraw/zinc/50/24/33/636502433.db2.gz JMVHDOUYXHWFRT-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004615910 636502440 /nfs/dbraw/zinc/50/24/40/636502440.db2.gz JMVHDOUYXHWFRT-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004615910 636502443 /nfs/dbraw/zinc/50/24/43/636502443.db2.gz JMVHDOUYXHWFRT-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028646975 636543380 /nfs/dbraw/zinc/54/33/80/636543380.db2.gz CAEJBVAZNUUYQJ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646975 636543382 /nfs/dbraw/zinc/54/33/82/636543382.db2.gz CAEJBVAZNUUYQJ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646975 636543383 /nfs/dbraw/zinc/54/33/83/636543383.db2.gz CAEJBVAZNUUYQJ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028646976 636544066 /nfs/dbraw/zinc/54/40/66/636544066.db2.gz CAEJBVAZNUUYQJ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646976 636544071 /nfs/dbraw/zinc/54/40/71/636544071.db2.gz CAEJBVAZNUUYQJ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028646976 636544074 /nfs/dbraw/zinc/54/40/74/636544074.db2.gz CAEJBVAZNUUYQJ-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005493894 636751562 /nfs/dbraw/zinc/75/15/62/636751562.db2.gz SYYPRRHJUHUUOF-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496099 636751641 /nfs/dbraw/zinc/75/16/41/636751641.db2.gz GGJWVQSASICJSR-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001005519485 636758265 /nfs/dbraw/zinc/75/82/65/636758265.db2.gz VWEICKWNMLOHJH-WMZOPIPTSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001005519485 636758268 /nfs/dbraw/zinc/75/82/68/636758268.db2.gz VWEICKWNMLOHJH-WMZOPIPTSA-N 2 1 319.493 2.053 20 30 DEEDMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923388389 637156143 /nfs/dbraw/zinc/15/61/43/637156143.db2.gz JIXNNFXUOGSLEI-OLMNPRSZSA-N 2 1 301.434 2.431 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000985685847 639583599 /nfs/dbraw/zinc/58/35/99/639583599.db2.gz JUMNMYBTEJXHJT-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989456755 641052505 /nfs/dbraw/zinc/05/25/05/641052505.db2.gz DTXLAFCGYUTQNK-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456755 641052508 /nfs/dbraw/zinc/05/25/08/641052508.db2.gz DTXLAFCGYUTQNK-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456755 641052511 /nfs/dbraw/zinc/05/25/11/641052511.db2.gz DTXLAFCGYUTQNK-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990694022 641607289 /nfs/dbraw/zinc/60/72/89/641607289.db2.gz ZOWYOPIPQNHAFZ-JENIJYKNSA-N 2 1 317.477 2.018 20 30 DEEDMP C#CCCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000779860961 642550857 /nfs/dbraw/zinc/55/08/57/642550857.db2.gz LGQKMMWLUIRARS-UHFFFAOYSA-N 2 1 314.433 2.356 20 30 DEEDMP N#Cc1ccccc1N1CCC([NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903935094 643514053 /nfs/dbraw/zinc/51/40/53/643514053.db2.gz MQJWURFACUVWAE-CYBMUJFWSA-N 2 1 308.376 2.099 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000907403125 644531997 /nfs/dbraw/zinc/53/19/97/644531997.db2.gz DOZCWQLGVKSFAQ-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CCN1CC[C@]2(NC(=O)c3cc4c[nH]ccc-4n3)CCC[C@H]12 ZINC000991380904 646040535 /nfs/dbraw/zinc/04/05/35/646040535.db2.gz AOICXLKDKUAWSZ-PKOBYXMFSA-N 2 1 322.412 2.313 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991619182 646547852 /nfs/dbraw/zinc/54/78/52/646547852.db2.gz FAJIUISTOYODNO-SJLPKXTDSA-N 2 1 310.401 2.247 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000171408394 646700290 /nfs/dbraw/zinc/70/02/90/646700290.db2.gz GWAVLUZFRWNENI-UHFFFAOYSA-N 2 1 324.388 2.034 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC000992446230 647012395 /nfs/dbraw/zinc/01/23/95/647012395.db2.gz MEMJMEIDCXPUID-AEFFLSMTSA-N 2 1 316.449 2.340 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992821434 647281769 /nfs/dbraw/zinc/28/17/69/647281769.db2.gz VJLQGDWTRGUZIM-GVDBMIGSSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993546378 647693994 /nfs/dbraw/zinc/69/39/94/647693994.db2.gz KDVBWKBANBEOQI-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000179636265 648406299 /nfs/dbraw/zinc/40/62/99/648406299.db2.gz IEVNRYJDJQJNOE-KRWDZBQOSA-N 2 1 300.450 2.420 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948216 /nfs/dbraw/zinc/94/82/16/648948216.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948218 /nfs/dbraw/zinc/94/82/18/648948218.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798305 648948219 /nfs/dbraw/zinc/94/82/19/648948219.db2.gz GDGZXDPYKILBEQ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896063 648964696 /nfs/dbraw/zinc/96/46/96/648964696.db2.gz RVIXMQQIRYJZGN-KRWDZBQOSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203906 649183160 /nfs/dbraw/zinc/18/31/60/649183160.db2.gz LIYNYXLTKJWPOA-DYVFJYSZSA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756600 649422960 /nfs/dbraw/zinc/42/29/60/649422960.db2.gz SAFXXXXZKQADCN-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169363 649490583 /nfs/dbraw/zinc/49/05/83/649490583.db2.gz ONWMQONNUUPALT-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169363 649490585 /nfs/dbraw/zinc/49/05/85/649490585.db2.gz ONWMQONNUUPALT-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944171670 649490986 /nfs/dbraw/zinc/49/09/86/649490986.db2.gz ZTGYWFNEGAKBKE-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944171670 649490988 /nfs/dbraw/zinc/49/09/88/649490988.db2.gz ZTGYWFNEGAKBKE-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536565 652564649 /nfs/dbraw/zinc/56/46/49/652564649.db2.gz DREISUGCDRNDHB-YJBOKZPZSA-N 2 1 319.449 2.149 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccccc1C ZINC000304750468 685258990 /nfs/dbraw/zinc/25/89/90/685258990.db2.gz ILVBQWVKCFBIPT-INIZCTEOSA-N 2 1 318.465 2.153 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812755 685301738 /nfs/dbraw/zinc/30/17/38/685301738.db2.gz KILPUTABXWZVHW-INIZCTEOSA-N 2 1 321.444 2.016 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144971 693862116 /nfs/dbraw/zinc/86/21/16/693862116.db2.gz GBIDCERMYAKERU-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197882 693878986 /nfs/dbraw/zinc/87/89/86/693878986.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197882 693878989 /nfs/dbraw/zinc/87/89/89/693878989.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197882 693878992 /nfs/dbraw/zinc/87/89/92/693878992.db2.gz KVMVPRJCVKDBAY-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209692 693883471 /nfs/dbraw/zinc/88/34/71/693883471.db2.gz VTPGCYHTJYXGOK-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000303984147 685242061 /nfs/dbraw/zinc/24/20/61/685242061.db2.gz RUMFOMAKWCAEDH-MRXNPFEDSA-N 2 1 320.456 2.492 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631723 687669305 /nfs/dbraw/zinc/66/93/05/687669305.db2.gz BRMNGCLSMMZYLR-BRWVUGGUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017611461 687924514 /nfs/dbraw/zinc/92/45/14/687924514.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611461 687924519 /nfs/dbraw/zinc/92/45/19/687924519.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017611461 687924521 /nfs/dbraw/zinc/92/45/21/687924521.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611461 687924525 /nfs/dbraw/zinc/92/45/25/687924525.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611461 687924529 /nfs/dbraw/zinc/92/45/29/687924529.db2.gz RUNVTCCOPYDECZ-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017632933 687928973 /nfs/dbraw/zinc/92/89/73/687928973.db2.gz NPVJTBMISICZEB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017632933 687928978 /nfs/dbraw/zinc/92/89/78/687928978.db2.gz NPVJTBMISICZEB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017632933 687928984 /nfs/dbraw/zinc/92/89/84/687928984.db2.gz NPVJTBMISICZEB-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018304036 688105538 /nfs/dbraw/zinc/10/55/38/688105538.db2.gz REVGNNMDXWXDHR-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851079 688243752 /nfs/dbraw/zinc/24/37/52/688243752.db2.gz KIVNUOSHDOANAT-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030316054 688663806 /nfs/dbraw/zinc/66/38/06/688663806.db2.gz VGRUHXYMCVRCBO-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030316054 688663807 /nfs/dbraw/zinc/66/38/07/688663807.db2.gz VGRUHXYMCVRCBO-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000872251975 688964618 /nfs/dbraw/zinc/96/46/18/688964618.db2.gz WAMZTWFJSJDZFK-BHIYHBOVSA-N 2 1 300.446 2.261 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000872251975 688964619 /nfs/dbraw/zinc/96/46/19/688964619.db2.gz WAMZTWFJSJDZFK-BHIYHBOVSA-N 2 1 300.446 2.261 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032540334 689179759 /nfs/dbraw/zinc/17/97/59/689179759.db2.gz ZXRXNNAHBXMWNU-OKZBNKHCSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143815 689403287 /nfs/dbraw/zinc/40/32/87/689403287.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143815 689403297 /nfs/dbraw/zinc/40/32/97/689403297.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143815 689403300 /nfs/dbraw/zinc/40/33/00/689403300.db2.gz MJXALEGFYZKLRV-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145892 689404076 /nfs/dbraw/zinc/40/40/76/689404076.db2.gz LNGBDFHFEILXEN-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033145892 689404078 /nfs/dbraw/zinc/40/40/78/689404078.db2.gz LNGBDFHFEILXEN-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033145892 689404080 /nfs/dbraw/zinc/40/40/80/689404080.db2.gz LNGBDFHFEILXEN-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687169 689584712 /nfs/dbraw/zinc/58/47/12/689584712.db2.gz ZEZJWJIBUGDWSS-MRXNPFEDSA-N 2 1 301.434 2.081 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066688 694308128 /nfs/dbraw/zinc/30/81/28/694308128.db2.gz KWTPSVJOWJTUAM-SFHVURJKSA-N 2 1 313.445 2.206 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931066688 694308132 /nfs/dbraw/zinc/30/81/32/694308132.db2.gz KWTPSVJOWJTUAM-SFHVURJKSA-N 2 1 313.445 2.206 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249643 689781250 /nfs/dbraw/zinc/78/12/50/689781250.db2.gz MGGKVGPTDJGDBR-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249643 689781254 /nfs/dbraw/zinc/78/12/54/689781254.db2.gz MGGKVGPTDJGDBR-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285365 689795273 /nfs/dbraw/zinc/79/52/73/689795273.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285365 689795276 /nfs/dbraw/zinc/79/52/76/689795276.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285365 689795278 /nfs/dbraw/zinc/79/52/78/689795278.db2.gz CMRXWWSEAFSBLN-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034397741 689836225 /nfs/dbraw/zinc/83/62/25/689836225.db2.gz LCKGMJUCXVNTPS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397741 689836228 /nfs/dbraw/zinc/83/62/28/689836228.db2.gz LCKGMJUCXVNTPS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034397741 689836232 /nfs/dbraw/zinc/83/62/32/689836232.db2.gz LCKGMJUCXVNTPS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432350 689848465 /nfs/dbraw/zinc/84/84/65/689848465.db2.gz VFCSPLLJUMJWBW-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000876708862 689910821 /nfs/dbraw/zinc/91/08/21/689910821.db2.gz CHSHCSJYCDZQSZ-INIZCTEOSA-N 2 1 321.852 2.109 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773947 689933185 /nfs/dbraw/zinc/93/31/85/689933185.db2.gz ZGECCRFGUAJQGU-CVEARBPZSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773948 689933466 /nfs/dbraw/zinc/93/34/66/689933466.db2.gz ZGECCRFGUAJQGU-HOTGVXAUSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035166136 690045785 /nfs/dbraw/zinc/04/57/85/690045785.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035166136 690045787 /nfs/dbraw/zinc/04/57/87/690045787.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035166136 690045789 /nfs/dbraw/zinc/04/57/89/690045789.db2.gz HZNQNGQNXWHVEI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186384 690053540 /nfs/dbraw/zinc/05/35/40/690053540.db2.gz BRSLTOLXVPCMIX-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186384 690053544 /nfs/dbraw/zinc/05/35/44/690053544.db2.gz BRSLTOLXVPCMIX-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186384 690053545 /nfs/dbraw/zinc/05/35/45/690053545.db2.gz BRSLTOLXVPCMIX-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035222202 690064051 /nfs/dbraw/zinc/06/40/51/690064051.db2.gz AGJLBVAQROYFPN-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035247001 690072425 /nfs/dbraw/zinc/07/24/25/690072425.db2.gz RXBFVDKUUWGQGJ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247001 690072428 /nfs/dbraw/zinc/07/24/28/690072428.db2.gz RXBFVDKUUWGQGJ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035247001 690072429 /nfs/dbraw/zinc/07/24/29/690072429.db2.gz RXBFVDKUUWGQGJ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717338 690159520 /nfs/dbraw/zinc/15/95/20/690159520.db2.gz IOSYUSBXGUNDSI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794615 690476571 /nfs/dbraw/zinc/47/65/71/690476571.db2.gz YDONOKGFCMMHTI-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931355035 694376439 /nfs/dbraw/zinc/37/64/39/694376439.db2.gz OFYWCLXDUIJHCA-UHFFFAOYSA-N 2 1 313.445 2.413 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262507 690854462 /nfs/dbraw/zinc/85/44/62/690854462.db2.gz NEZGSCJMTSOFSW-BEFAXECRSA-N 2 1 322.412 2.197 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036866 /nfs/dbraw/zinc/03/68/66/691036866.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036869 /nfs/dbraw/zinc/03/68/69/691036869.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039163561 691036871 /nfs/dbraw/zinc/03/68/71/691036871.db2.gz CPMQTBTVJZDCAG-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039397906 691097418 /nfs/dbraw/zinc/09/74/18/691097418.db2.gz GJYUWKUIOYCDET-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397906 691097420 /nfs/dbraw/zinc/09/74/20/691097420.db2.gz GJYUWKUIOYCDET-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397906 691097422 /nfs/dbraw/zinc/09/74/22/691097422.db2.gz GJYUWKUIOYCDET-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250943 691221050 /nfs/dbraw/zinc/22/10/50/691221050.db2.gz UVFACTQTXHDQPI-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040296302 691226732 /nfs/dbraw/zinc/22/67/32/691226732.db2.gz NHZWNDNKLGJLBN-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242268 /nfs/dbraw/zinc/24/22/68/691242268.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242270 /nfs/dbraw/zinc/24/22/70/691242270.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395471 691242273 /nfs/dbraw/zinc/24/22/73/691242273.db2.gz PYINEJARSARNSX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400398 691243101 /nfs/dbraw/zinc/24/31/01/691243101.db2.gz UYDJJMLCOKSPOR-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400397 691243375 /nfs/dbraw/zinc/24/33/75/691243375.db2.gz UYDJJMLCOKSPOR-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040493265 691255597 /nfs/dbraw/zinc/25/55/97/691255597.db2.gz JFISKPRXGXGSCG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040493265 691255600 /nfs/dbraw/zinc/25/56/00/691255600.db2.gz JFISKPRXGXGSCG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040493265 691255604 /nfs/dbraw/zinc/25/56/04/691255604.db2.gz JFISKPRXGXGSCG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041345521 691364375 /nfs/dbraw/zinc/36/43/75/691364375.db2.gz AYKNKIXIMMSMFS-PKOBYXMFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345521 691364385 /nfs/dbraw/zinc/36/43/85/691364385.db2.gz AYKNKIXIMMSMFS-PKOBYXMFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345521 691364389 /nfs/dbraw/zinc/36/43/89/691364389.db2.gz AYKNKIXIMMSMFS-PKOBYXMFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409251 /nfs/dbraw/zinc/40/92/51/691409251.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409253 /nfs/dbraw/zinc/40/92/53/691409253.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679844 691409256 /nfs/dbraw/zinc/40/92/56/691409256.db2.gz OZZKDZZTXKGLFU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041725523 691418213 /nfs/dbraw/zinc/41/82/13/691418213.db2.gz OGPXXMPKCYKUKY-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000883130992 691435744 /nfs/dbraw/zinc/43/57/44/691435744.db2.gz AAYOIKSPYAHYTQ-UHFFFAOYSA-N 2 1 300.324 2.472 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132271 691516665 /nfs/dbraw/zinc/51/66/65/691516665.db2.gz APOPJTAOKHFUBS-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256776 691550444 /nfs/dbraw/zinc/55/04/44/691550444.db2.gz ZMMNDJOWDOVDDP-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042353888 691579743 /nfs/dbraw/zinc/57/97/43/691579743.db2.gz BNJRJCTZYFPGDN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042353888 691579748 /nfs/dbraw/zinc/57/97/48/691579748.db2.gz BNJRJCTZYFPGDN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045478987 691987300 /nfs/dbraw/zinc/98/73/00/691987300.db2.gz LVDWCEFPEUPKOK-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921421 692051432 /nfs/dbraw/zinc/05/14/32/692051432.db2.gz LEKRBPCOIFEONM-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921421 692051434 /nfs/dbraw/zinc/05/14/34/692051434.db2.gz LEKRBPCOIFEONM-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921421 692051438 /nfs/dbraw/zinc/05/14/38/692051438.db2.gz LEKRBPCOIFEONM-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046375561 692170818 /nfs/dbraw/zinc/17/08/18/692170818.db2.gz BKBSINUJKYDAFL-YJBOKZPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046375561 692170821 /nfs/dbraw/zinc/17/08/21/692170821.db2.gz BKBSINUJKYDAFL-YJBOKZPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761503 692290905 /nfs/dbraw/zinc/29/09/05/692290905.db2.gz WAESYIKGCUNWLE-LJQANCHMSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049098285 692764335 /nfs/dbraw/zinc/76/43/35/692764335.db2.gz FPWOMMQCPZBQSN-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049560333 692921709 /nfs/dbraw/zinc/92/17/09/692921709.db2.gz XONMCMAGCZMLNT-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049560333 692921711 /nfs/dbraw/zinc/92/17/11/692921711.db2.gz XONMCMAGCZMLNT-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049560333 692921713 /nfs/dbraw/zinc/92/17/13/692921713.db2.gz XONMCMAGCZMLNT-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572763 692925943 /nfs/dbraw/zinc/92/59/43/692925943.db2.gz OFDZTRLFHHZDDU-ROUUACIJSA-N 2 1 322.412 2.037 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589644 692932406 /nfs/dbraw/zinc/93/24/06/692932406.db2.gz AFJSNMBKQHKYOT-ROUUACIJSA-N 2 1 322.412 2.037 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049589638 692932906 /nfs/dbraw/zinc/93/29/06/692932906.db2.gz AFJSNMBKQHKYOT-MSOLQXFVSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727263 692977560 /nfs/dbraw/zinc/97/75/60/692977560.db2.gz ISXYBHLZRXFOFG-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208580 693139183 /nfs/dbraw/zinc/13/91/83/693139183.db2.gz OJUJMAPJKOUFPQ-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001050694826 693233669 /nfs/dbraw/zinc/23/36/69/693233669.db2.gz LKBMCQNWICPINA-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485728 693546308 /nfs/dbraw/zinc/54/63/08/693546308.db2.gz CFXVCFAZJKIULY-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052497500 693549653 /nfs/dbraw/zinc/54/96/53/693549653.db2.gz CIWLRGCEAJDFOZ-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052497500 693549655 /nfs/dbraw/zinc/54/96/55/693549655.db2.gz CIWLRGCEAJDFOZ-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052497500 693549658 /nfs/dbraw/zinc/54/96/58/693549658.db2.gz CIWLRGCEAJDFOZ-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001380082776 1152747346 /nfs/dbraw/zinc/74/73/46/1152747346.db2.gz AVJVBWHAIZOHBL-CYBMUJFWSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381302948 1152998214 /nfs/dbraw/zinc/99/82/14/1152998214.db2.gz SALCUBRJMKFGOT-HUUCEWRRSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381302948 1152998223 /nfs/dbraw/zinc/99/82/23/1152998223.db2.gz SALCUBRJMKFGOT-HUUCEWRRSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001393787028 1157979545 /nfs/dbraw/zinc/97/95/45/1157979545.db2.gz LODTXAQDLLZRNO-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001393787028 1157979559 /nfs/dbraw/zinc/97/95/59/1157979559.db2.gz LODTXAQDLLZRNO-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001393787028 1157979569 /nfs/dbraw/zinc/97/95/69/1157979569.db2.gz LODTXAQDLLZRNO-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001393787028 1157979580 /nfs/dbraw/zinc/97/95/80/1157979580.db2.gz LODTXAQDLLZRNO-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001394844953 1158810804 /nfs/dbraw/zinc/81/08/04/1158810804.db2.gz LJSKIPWDNQRULO-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001376020503 1159054965 /nfs/dbraw/zinc/05/49/65/1159054965.db2.gz YLIFIFFSKABCDB-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001376024840 1159056880 /nfs/dbraw/zinc/05/68/80/1159056880.db2.gz HLSCFSHXJJYWTH-UHFFFAOYSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001376024840 1159056891 /nfs/dbraw/zinc/05/68/91/1159056891.db2.gz HLSCFSHXJJYWTH-UHFFFAOYSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001401833442 1162148550 /nfs/dbraw/zinc/14/85/50/1162148550.db2.gz WJTNAZFUSZFWMH-LSDHHAIUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001402064265 1162234043 /nfs/dbraw/zinc/23/40/43/1162234043.db2.gz ZGPGNYPXLQZBJY-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001420000922 1169050765 /nfs/dbraw/zinc/05/07/65/1169050765.db2.gz YVCYMRVXGNKYIA-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424698812 1173875228 /nfs/dbraw/zinc/87/52/28/1173875228.db2.gz HMACRPPJQRMDSS-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424698812 1173875231 /nfs/dbraw/zinc/87/52/31/1173875231.db2.gz HMACRPPJQRMDSS-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424698812 1173875233 /nfs/dbraw/zinc/87/52/33/1173875233.db2.gz HMACRPPJQRMDSS-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001424698812 1173875237 /nfs/dbraw/zinc/87/52/37/1173875237.db2.gz HMACRPPJQRMDSS-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001437766110 1179966905 /nfs/dbraw/zinc/96/69/05/1179966905.db2.gz FVANQCFBLKAAAJ-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001437766110 1179966915 /nfs/dbraw/zinc/96/69/15/1179966915.db2.gz FVANQCFBLKAAAJ-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001438771280 1180809062 /nfs/dbraw/zinc/80/90/62/1180809062.db2.gz PJJDFDWRATYUMZ-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001440406526 1181491308 /nfs/dbraw/zinc/49/13/08/1181491308.db2.gz UMFKYMHQXPHPKN-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001440406526 1181491313 /nfs/dbraw/zinc/49/13/13/1181491313.db2.gz UMFKYMHQXPHPKN-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001440406526 1181491322 /nfs/dbraw/zinc/49/13/22/1181491322.db2.gz UMFKYMHQXPHPKN-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001441212623 1181896903 /nfs/dbraw/zinc/89/69/03/1181896903.db2.gz UEHBSBBSULVLAD-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001330614288 1149211533 /nfs/dbraw/zinc/21/15/33/1149211533.db2.gz SJQHUCAIWNMYMN-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC001332992004 1149948868 /nfs/dbraw/zinc/94/88/68/1149948868.db2.gz RSKGTSINQQKXRZ-GOSISDBHSA-N 2 1 313.445 2.413 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159695 /nfs/dbraw/zinc/15/96/95/783159695.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159699 /nfs/dbraw/zinc/15/96/99/783159699.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493218 783159702 /nfs/dbraw/zinc/15/97/02/783159702.db2.gz UVRFGJOUWAPGNC-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536259 783189457 /nfs/dbraw/zinc/18/94/57/783189457.db2.gz ANHFELMVAHAGSL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536259 783189464 /nfs/dbraw/zinc/18/94/64/783189464.db2.gz ANHFELMVAHAGSL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536259 783189470 /nfs/dbraw/zinc/18/94/70/783189470.db2.gz ANHFELMVAHAGSL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617377 783190803 /nfs/dbraw/zinc/19/08/03/783190803.db2.gz XXMFUGICZJWSHM-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671751 779406269 /nfs/dbraw/zinc/40/62/69/779406269.db2.gz OCYGMAAFQLGDCD-KSZLIROESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773791 779445099 /nfs/dbraw/zinc/44/50/99/779445099.db2.gz HYALQKSMFYIMCC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081704 779685505 /nfs/dbraw/zinc/68/55/05/779685505.db2.gz AJDIVHSOMNAZQQ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081704 779685513 /nfs/dbraw/zinc/68/55/13/779685513.db2.gz AJDIVHSOMNAZQQ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081704 779685521 /nfs/dbraw/zinc/68/55/21/779685521.db2.gz AJDIVHSOMNAZQQ-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001088413318 780087946 /nfs/dbraw/zinc/08/79/46/780087946.db2.gz CSCWEOPTIUSKAI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495795 /nfs/dbraw/zinc/49/57/95/780495795.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495797 /nfs/dbraw/zinc/49/57/97/780495797.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569061 780495799 /nfs/dbraw/zinc/49/57/99/780495799.db2.gz FWLOOVRNDJYPNG-NUJGCVRESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)C1=O ZINC001168319104 780835469 /nfs/dbraw/zinc/83/54/69/780835469.db2.gz OPXBFZWDDVLOSW-TVPLGVNVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378890 781845193 /nfs/dbraw/zinc/84/51/93/781845193.db2.gz POOVXYCSDAFBMK-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C[C@@H]1C ZINC000947941213 783274688 /nfs/dbraw/zinc/27/46/88/783274688.db2.gz ZGHHGPXAQJIKGQ-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941213 783274694 /nfs/dbraw/zinc/27/46/94/783274694.db2.gz ZGHHGPXAQJIKGQ-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941213 783274702 /nfs/dbraw/zinc/27/47/02/783274702.db2.gz ZGHHGPXAQJIKGQ-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657200 783328225 /nfs/dbraw/zinc/32/82/25/783328225.db2.gz AXMBDGKGZUHUIY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657200 783328234 /nfs/dbraw/zinc/32/82/34/783328234.db2.gz AXMBDGKGZUHUIY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657200 783328244 /nfs/dbraw/zinc/32/82/44/783328244.db2.gz AXMBDGKGZUHUIY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657200 783328252 /nfs/dbraw/zinc/32/82/52/783328252.db2.gz AXMBDGKGZUHUIY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724509 783388394 /nfs/dbraw/zinc/38/83/94/783388394.db2.gz XVAMHUXFGWGEBN-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948425021 783461264 /nfs/dbraw/zinc/46/12/64/783461264.db2.gz NBUCPLUMSVVUBV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948425021 783461270 /nfs/dbraw/zinc/46/12/70/783461270.db2.gz NBUCPLUMSVVUBV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948425021 783461276 /nfs/dbraw/zinc/46/12/76/783461276.db2.gz NBUCPLUMSVVUBV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593387 783860015 /nfs/dbraw/zinc/86/00/15/783860015.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593387 783860022 /nfs/dbraw/zinc/86/00/22/783860022.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593387 783860030 /nfs/dbraw/zinc/86/00/30/783860030.db2.gz IKWNVQZULFXLIG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917395 784209620 /nfs/dbraw/zinc/20/96/20/784209620.db2.gz YQTSSNXANXIFBU-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379546 784339974 /nfs/dbraw/zinc/33/99/74/784339974.db2.gz YSXUBEAQMMERIO-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379546 784339996 /nfs/dbraw/zinc/33/99/96/784339996.db2.gz YSXUBEAQMMERIO-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554832 784464058 /nfs/dbraw/zinc/46/40/58/784464058.db2.gz XXQJNCSSCXYFFS-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554832 784464063 /nfs/dbraw/zinc/46/40/63/784464063.db2.gz XXQJNCSSCXYFFS-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000968732530 784561717 /nfs/dbraw/zinc/56/17/17/784561717.db2.gz OCTVQAHWGOXZTP-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855817 784620632 /nfs/dbraw/zinc/62/06/32/784620632.db2.gz AQIYTSONVZAWCD-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855817 784620640 /nfs/dbraw/zinc/62/06/40/784620640.db2.gz AQIYTSONVZAWCD-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855783 784621059 /nfs/dbraw/zinc/62/10/59/784621059.db2.gz AHHZILIVDMBILG-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855783 784621065 /nfs/dbraw/zinc/62/10/65/784621065.db2.gz AHHZILIVDMBILG-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855813 784621505 /nfs/dbraw/zinc/62/15/05/784621505.db2.gz AQIYTSONVZAWCD-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855813 784621514 /nfs/dbraw/zinc/62/15/14/784621514.db2.gz AQIYTSONVZAWCD-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887279 784638327 /nfs/dbraw/zinc/63/83/27/784638327.db2.gz ADHWJNFXCKFTIZ-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887279 784638330 /nfs/dbraw/zinc/63/83/30/784638330.db2.gz ADHWJNFXCKFTIZ-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002452 784686189 /nfs/dbraw/zinc/68/61/89/784686189.db2.gz TZTPJPJIEFWPPH-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002452 784686192 /nfs/dbraw/zinc/68/61/92/784686192.db2.gz TZTPJPJIEFWPPH-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002452 784686198 /nfs/dbraw/zinc/68/61/98/784686198.db2.gz TZTPJPJIEFWPPH-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007725237 784983295 /nfs/dbraw/zinc/98/32/95/784983295.db2.gz YWSQGOMNIRHLDG-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169119339 785042072 /nfs/dbraw/zinc/04/20/72/785042072.db2.gz ROZMMTWEFCRQFW-BJWYYQGGSA-N 2 1 321.465 2.236 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145323 785394079 /nfs/dbraw/zinc/39/40/79/785394079.db2.gz NXCSCTOVNKMOMI-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725468 785510523 /nfs/dbraw/zinc/51/05/23/785510523.db2.gz AZSLFESTJWBEOF-BBWFWOEESA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108791925 785539538 /nfs/dbraw/zinc/53/95/38/785539538.db2.gz DKWCHBBDDHEAJL-ZNMIVQPWSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248399 791123634 /nfs/dbraw/zinc/12/36/34/791123634.db2.gz UJBASUXJWDSKLU-HUUCEWRRSA-N 2 1 304.438 2.211 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248663 791124152 /nfs/dbraw/zinc/12/41/52/791124152.db2.gz XFVZFLNURUQPIJ-CVEARBPZSA-N 2 1 316.449 2.048 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248967 791126992 /nfs/dbraw/zinc/12/69/92/791126992.db2.gz ZNLAFSQFVTZZFW-HZPDHXFCSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406064 785857988 /nfs/dbraw/zinc/85/79/88/785857988.db2.gz MRQIQCPKHSTIIH-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485319 785897406 /nfs/dbraw/zinc/89/74/06/785897406.db2.gz VDVVYFONNBDLDY-IKGGRYGDSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109728822 785999070 /nfs/dbraw/zinc/99/90/70/785999070.db2.gz DYBCGHMXFNQGSQ-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109728822 785999075 /nfs/dbraw/zinc/99/90/75/785999075.db2.gz DYBCGHMXFNQGSQ-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109728822 785999085 /nfs/dbraw/zinc/99/90/85/785999085.db2.gz DYBCGHMXFNQGSQ-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965248 786332109 /nfs/dbraw/zinc/33/21/09/786332109.db2.gz GRAUPLBHCFDBAO-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001112965250 786332232 /nfs/dbraw/zinc/33/22/32/786332232.db2.gz GRAUPLBHCFDBAO-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682932 786758555 /nfs/dbraw/zinc/75/85/55/786758555.db2.gz YRHDZWFWSBMBGS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597939 787130116 /nfs/dbraw/zinc/13/01/16/787130116.db2.gz CPGSHGUILFNFLD-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015597939 787130121 /nfs/dbraw/zinc/13/01/21/787130121.db2.gz CPGSHGUILFNFLD-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015597939 787130123 /nfs/dbraw/zinc/13/01/23/787130123.db2.gz CPGSHGUILFNFLD-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130189588 787309210 /nfs/dbraw/zinc/30/92/10/787309210.db2.gz QGKBUDJCKDJZFR-IRXDYDNUSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366168 788042114 /nfs/dbraw/zinc/04/21/14/788042114.db2.gz XHYBLUDEIRSWDH-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366168 788042123 /nfs/dbraw/zinc/04/21/23/788042123.db2.gz XHYBLUDEIRSWDH-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366168 788042132 /nfs/dbraw/zinc/04/21/32/788042132.db2.gz XHYBLUDEIRSWDH-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548381 788127613 /nfs/dbraw/zinc/12/76/13/788127613.db2.gz CMPNQCCCMXWHOX-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888314 788219062 /nfs/dbraw/zinc/21/90/62/788219062.db2.gz MBXVWFVWZVYBMY-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133318040 788368184 /nfs/dbraw/zinc/36/81/84/788368184.db2.gz DHZDZYMOADJIHJ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345580 788376448 /nfs/dbraw/zinc/37/64/48/788376448.db2.gz DVXOUZGFKLHHFR-UKRRQHHQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850959 788632782 /nfs/dbraw/zinc/63/27/82/788632782.db2.gz SHQOBLKFSASSKG-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794779 789922409 /nfs/dbraw/zinc/92/24/09/789922409.db2.gz FNIWJIAQYGFBFR-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957593 789987082 /nfs/dbraw/zinc/98/70/82/789987082.db2.gz KVFUHWHPLNNBJO-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793714 790249002 /nfs/dbraw/zinc/24/90/02/790249002.db2.gz PHCIXMKWDIWEIA-UHFFFAOYSA-N 2 1 319.474 2.144 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986599 791667177 /nfs/dbraw/zinc/66/71/77/791667177.db2.gz SASLLYKKSWMZHE-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147992814 791668425 /nfs/dbraw/zinc/66/84/25/791668425.db2.gz NVBPLWNGWTUFJS-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160880 791700468 /nfs/dbraw/zinc/70/04/68/791700468.db2.gz NISNTSBRTJQMIQ-INIZCTEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469064 791751405 /nfs/dbraw/zinc/75/14/05/791751405.db2.gz BDCHCLKTHVDFEA-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991460 792022333 /nfs/dbraw/zinc/02/23/33/792022333.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991460 792022342 /nfs/dbraw/zinc/02/23/42/792022342.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991460 792022355 /nfs/dbraw/zinc/02/23/55/792022355.db2.gz ZEOGCTPGBRTTHZ-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107242 792097939 /nfs/dbraw/zinc/09/79/39/792097939.db2.gz XEUVIGSHUPLDIC-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099107242 792097945 /nfs/dbraw/zinc/09/79/45/792097945.db2.gz XEUVIGSHUPLDIC-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150661 792645077 /nfs/dbraw/zinc/64/50/77/792645077.db2.gz IULZNTWGGYUTAX-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001094568030 792985999 /nfs/dbraw/zinc/98/59/99/792985999.db2.gz OMWUABIJRFQTKJ-QRQLOZEOSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC001094568030 792986001 /nfs/dbraw/zinc/98/60/01/792986001.db2.gz OMWUABIJRFQTKJ-QRQLOZEOSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC001094568030 792986007 /nfs/dbraw/zinc/98/60/07/792986007.db2.gz OMWUABIJRFQTKJ-QRQLOZEOSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101280175 793097569 /nfs/dbraw/zinc/09/75/69/793097569.db2.gz IQHZXBQGVNCOIW-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280175 793097576 /nfs/dbraw/zinc/09/75/76/793097576.db2.gz IQHZXBQGVNCOIW-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280175 793097584 /nfs/dbraw/zinc/09/75/84/793097584.db2.gz IQHZXBQGVNCOIW-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466247 793623979 /nfs/dbraw/zinc/62/39/79/793623979.db2.gz KIXZTKDULFZYFZ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466247 793623984 /nfs/dbraw/zinc/62/39/84/793623984.db2.gz KIXZTKDULFZYFZ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113598 793945565 /nfs/dbraw/zinc/94/55/65/793945565.db2.gz QIUOOGDVTOYXSD-ZACQAIPSSA-N 2 1 309.498 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433421 794090392 /nfs/dbraw/zinc/09/03/92/794090392.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103433421 794090397 /nfs/dbraw/zinc/09/03/97/794090397.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103433421 794090406 /nfs/dbraw/zinc/09/04/06/794090406.db2.gz FIMXSIOUVAVLHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2ncc[nH]2)C1 ZINC001111731589 794461581 /nfs/dbraw/zinc/46/15/81/794461581.db2.gz DTECKQMDGLMJKU-YJBOKZPZSA-N 2 1 316.449 2.279 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778955 794478416 /nfs/dbraw/zinc/47/84/16/794478416.db2.gz QEMCANDGEKAURX-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778955 794478421 /nfs/dbraw/zinc/47/84/21/794478421.db2.gz QEMCANDGEKAURX-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778955 794478425 /nfs/dbraw/zinc/47/84/25/794478425.db2.gz QEMCANDGEKAURX-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345229 794644300 /nfs/dbraw/zinc/64/43/00/794644300.db2.gz VOJUUEIUSSZBOU-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177415632 794665689 /nfs/dbraw/zinc/66/56/89/794665689.db2.gz GKWQRCZUNCHUIO-AEFFLSMTSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115591942 794832021 /nfs/dbraw/zinc/83/20/21/794832021.db2.gz LVCCGRVXGIPUNH-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730992 794899657 /nfs/dbraw/zinc/89/96/57/794899657.db2.gz XADNGCVSQBQEHY-HZPDHXFCSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234127 795081332 /nfs/dbraw/zinc/08/13/32/795081332.db2.gz JQWGTOZASNRWLQ-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337495 795102572 /nfs/dbraw/zinc/10/25/72/795102572.db2.gz OYLDDKQFUQHGTH-QAETUUGQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299858 795269552 /nfs/dbraw/zinc/26/95/52/795269552.db2.gz XIOIHQMMEMMARP-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299858 795269556 /nfs/dbraw/zinc/26/95/56/795269556.db2.gz XIOIHQMMEMMARP-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470194 795467212 /nfs/dbraw/zinc/46/72/12/795467212.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470194 795467216 /nfs/dbraw/zinc/46/72/16/795467216.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470194 795467222 /nfs/dbraw/zinc/46/72/22/795467222.db2.gz PAYWHMNJAZKNNG-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941844 795567185 /nfs/dbraw/zinc/56/71/85/795567185.db2.gz SCCJDSZXDAERQD-CRAIPNDOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134027 795593342 /nfs/dbraw/zinc/59/33/42/795593342.db2.gz OZEGPANELNYYQZ-NYXDSXFPSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121247045 795607832 /nfs/dbraw/zinc/60/78/32/795607832.db2.gz WFJXTGFJVCDYNX-UHFFFAOYSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001121988081 795712862 /nfs/dbraw/zinc/71/28/62/795712862.db2.gz HQBMPYGTHVGZTK-QGZVFWFLSA-N 2 1 303.450 2.438 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809436 796130408 /nfs/dbraw/zinc/13/04/08/796130408.db2.gz GNEXUVBXGJRKNR-SWLSCSKDSA-N 2 1 324.856 2.018 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650055 796297934 /nfs/dbraw/zinc/29/79/34/796297934.db2.gz BDFWQHGUCIYQLE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191376670 797192882 /nfs/dbraw/zinc/19/28/82/797192882.db2.gz WELDUSKHEMMXOL-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376670 797192886 /nfs/dbraw/zinc/19/28/86/797192886.db2.gz WELDUSKHEMMXOL-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376670 797192888 /nfs/dbraw/zinc/19/28/88/797192888.db2.gz WELDUSKHEMMXOL-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191376671 797192900 /nfs/dbraw/zinc/19/29/00/797192900.db2.gz WELDUSKHEMMXOL-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376671 797192904 /nfs/dbraw/zinc/19/29/04/797192904.db2.gz WELDUSKHEMMXOL-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191376671 797192906 /nfs/dbraw/zinc/19/29/06/797192906.db2.gz WELDUSKHEMMXOL-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507267 797222462 /nfs/dbraw/zinc/22/24/62/797222462.db2.gz JTWSIELCYMLMKP-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683442 797249594 /nfs/dbraw/zinc/24/95/94/797249594.db2.gz GBQJQAQKLIWBBM-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677805 797374651 /nfs/dbraw/zinc/37/46/51/797374651.db2.gz PTXGXFITVKPNGG-CQSZACIVSA-N 2 1 321.490 2.273 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655853 797424874 /nfs/dbraw/zinc/42/48/74/797424874.db2.gz PHEXWCLAKOXIEJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040428 797668776 /nfs/dbraw/zinc/66/87/76/797668776.db2.gz QYHYYARXHIGYBJ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP Cc1ccc(CC#N)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]1 ZINC001155833158 797859215 /nfs/dbraw/zinc/85/92/15/797859215.db2.gz HGQXLNIXRHJVJR-DOTOQJQBSA-N 2 1 300.406 2.169 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001195284270 797871014 /nfs/dbraw/zinc/87/10/14/797871014.db2.gz STRQCIJZULYCAA-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284270 797871022 /nfs/dbraw/zinc/87/10/22/797871022.db2.gz STRQCIJZULYCAA-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195284270 797871029 /nfs/dbraw/zinc/87/10/29/797871029.db2.gz STRQCIJZULYCAA-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195893492 797976533 /nfs/dbraw/zinc/97/65/33/797976533.db2.gz GWMMXVZKAQPGBF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195893492 797976538 /nfs/dbraw/zinc/97/65/38/797976538.db2.gz GWMMXVZKAQPGBF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195893492 797976540 /nfs/dbraw/zinc/97/65/40/797976540.db2.gz GWMMXVZKAQPGBF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109263 798144842 /nfs/dbraw/zinc/14/48/42/798144842.db2.gz KXPLTFMZSZCWAT-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001158061902 798335526 /nfs/dbraw/zinc/33/55/26/798335526.db2.gz UWCMYCRIZTVPPP-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158061902 798335530 /nfs/dbraw/zinc/33/55/30/798335530.db2.gz UWCMYCRIZTVPPP-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158061902 798335535 /nfs/dbraw/zinc/33/55/35/798335535.db2.gz UWCMYCRIZTVPPP-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158099479 798342630 /nfs/dbraw/zinc/34/26/30/798342630.db2.gz PJZAYDAQNCZGEQ-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001160197954 798660970 /nfs/dbraw/zinc/66/09/70/798660970.db2.gz PIOXVGGMFIHGDV-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCCC1 ZINC001160197954 798660975 /nfs/dbraw/zinc/66/09/75/798660975.db2.gz PIOXVGGMFIHGDV-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359896 798679528 /nfs/dbraw/zinc/67/95/28/798679528.db2.gz FKQRFXWMIUZYQY-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400565 798683592 /nfs/dbraw/zinc/68/35/92/798683592.db2.gz UXPAUWGXXYNURM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400565 798683593 /nfs/dbraw/zinc/68/35/93/798683593.db2.gz UXPAUWGXXYNURM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400565 798683595 /nfs/dbraw/zinc/68/35/95/798683595.db2.gz UXPAUWGXXYNURM-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466469 798692683 /nfs/dbraw/zinc/69/26/83/798692683.db2.gz DNHVOVIAYWGAPB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160466469 798692688 /nfs/dbraw/zinc/69/26/88/798692688.db2.gz DNHVOVIAYWGAPB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160466469 798692693 /nfs/dbraw/zinc/69/26/93/798692693.db2.gz DNHVOVIAYWGAPB-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C\CC)CC1 ZINC001201094924 798712134 /nfs/dbraw/zinc/71/21/34/798712134.db2.gz YFIATBIGQZNRLW-XFHJGTJQSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C\CC)CC1 ZINC001201094924 798712139 /nfs/dbraw/zinc/71/21/39/798712139.db2.gz YFIATBIGQZNRLW-XFHJGTJQSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001201117828 798713292 /nfs/dbraw/zinc/71/32/92/798713292.db2.gz FBPBJFYDIBMFKW-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161705516 798916500 /nfs/dbraw/zinc/91/65/00/798916500.db2.gz USHRSXHMLLMIQV-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705516 798916505 /nfs/dbraw/zinc/91/65/05/798916505.db2.gz USHRSXHMLLMIQV-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705516 798916508 /nfs/dbraw/zinc/91/65/08/798916508.db2.gz USHRSXHMLLMIQV-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110682803 798964758 /nfs/dbraw/zinc/96/47/58/798964758.db2.gz CYFNPQSRXFRNRI-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110682803 798964762 /nfs/dbraw/zinc/96/47/62/798964762.db2.gz CYFNPQSRXFRNRI-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110682803 798964769 /nfs/dbraw/zinc/96/47/69/798964769.db2.gz CYFNPQSRXFRNRI-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409226 799093545 /nfs/dbraw/zinc/09/35/45/799093545.db2.gz IIPHFNDKJWTBSI-MLHJIOFPSA-N 2 1 321.509 2.343 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114443261 799113826 /nfs/dbraw/zinc/11/38/26/799113826.db2.gz YRUGHSFPNIGAGB-MLHJIOFPSA-N 2 1 321.509 2.365 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202713 799842225 /nfs/dbraw/zinc/84/22/25/799842225.db2.gz YCMWIJDSOSGXTE-OAHLLOKOSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421176 800044469 /nfs/dbraw/zinc/04/44/69/800044469.db2.gz ZNDHSIRLOLNYIJ-HZPDHXFCSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242740 800328607 /nfs/dbraw/zinc/32/86/07/800328607.db2.gz TWSLRLIIMQVFOF-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205524536 800368414 /nfs/dbraw/zinc/36/84/14/800368414.db2.gz PIBGYSRUJXFBFY-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703535 800405634 /nfs/dbraw/zinc/40/56/34/800405634.db2.gz GVSGVWBNSQYSCM-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703536 800405816 /nfs/dbraw/zinc/40/58/16/800405816.db2.gz GVSGVWBNSQYSCM-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP N#Cc1cccc2c(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c21 ZINC001205770446 800416379 /nfs/dbraw/zinc/41/63/79/800416379.db2.gz MYGSNUOMKKTZQP-CYBMUJFWSA-N 2 1 304.344 2.455 20 30 DEEDMP N#Cc1cccc2c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c21 ZINC001205770446 800416383 /nfs/dbraw/zinc/41/63/83/800416383.db2.gz MYGSNUOMKKTZQP-CYBMUJFWSA-N 2 1 304.344 2.455 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003822 800456854 /nfs/dbraw/zinc/45/68/54/800456854.db2.gz MWWXTVGBENIMJF-CHWSQXEVSA-N 2 1 304.463 2.482 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206307537 800505994 /nfs/dbraw/zinc/50/59/94/800505994.db2.gz KWPJPGLDOBCOEB-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001207000648 800651918 /nfs/dbraw/zinc/65/19/18/800651918.db2.gz JDRPFQKOWNIZPI-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207000648 800651919 /nfs/dbraw/zinc/65/19/19/800651919.db2.gz JDRPFQKOWNIZPI-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207000648 800651920 /nfs/dbraw/zinc/65/19/20/800651920.db2.gz JDRPFQKOWNIZPI-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207337771 800733057 /nfs/dbraw/zinc/73/30/57/800733057.db2.gz WXJMEYAAQBOCKD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207337771 800733061 /nfs/dbraw/zinc/73/30/61/800733061.db2.gz WXJMEYAAQBOCKD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435034 800751147 /nfs/dbraw/zinc/75/11/47/800751147.db2.gz DRWNPNFITZXXAR-QZTJIDSGSA-N 2 1 308.466 2.060 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132481 801338480 /nfs/dbraw/zinc/33/84/80/801338480.db2.gz CGHDANSDTHOZRU-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591605 801429756 /nfs/dbraw/zinc/42/97/56/801429756.db2.gz DHXXOHGBNVMQPI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447926 801567771 /nfs/dbraw/zinc/56/77/71/801567771.db2.gz PPVYARGSNQUHFE-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447926 801567774 /nfs/dbraw/zinc/56/77/74/801567774.db2.gz PPVYARGSNQUHFE-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447926 801567777 /nfs/dbraw/zinc/56/77/77/801567777.db2.gz PPVYARGSNQUHFE-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447926 801567781 /nfs/dbraw/zinc/56/77/81/801567781.db2.gz PPVYARGSNQUHFE-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375399 801782502 /nfs/dbraw/zinc/78/25/02/801782502.db2.gz IJDZEHIENPFWCJ-HZPDHXFCSA-N 2 1 323.481 2.319 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375399 801782508 /nfs/dbraw/zinc/78/25/08/801782508.db2.gz IJDZEHIENPFWCJ-HZPDHXFCSA-N 2 1 323.481 2.319 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215558094 801877137 /nfs/dbraw/zinc/87/71/37/801877137.db2.gz KGKBJAFSEVTULN-TZMCWYRMSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001221672106 802601941 /nfs/dbraw/zinc/60/19/41/802601941.db2.gz PWTDMQNAFONEKZ-SJLPKXTDSA-N 2 1 324.428 2.447 20 30 DEEDMP CCCCCCC/C=C/C[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222521465 802700249 /nfs/dbraw/zinc/70/02/49/802700249.db2.gz SERXUYBXSLXYSP-CSHXORCISA-N 2 1 319.493 2.315 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223972175 802827139 /nfs/dbraw/zinc/82/71/39/802827139.db2.gz UCZDCMUBGQGFIZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223972175 802827140 /nfs/dbraw/zinc/82/71/40/802827140.db2.gz UCZDCMUBGQGFIZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223972175 802827144 /nfs/dbraw/zinc/82/71/44/802827144.db2.gz UCZDCMUBGQGFIZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224535194 802879374 /nfs/dbraw/zinc/87/93/74/802879374.db2.gz DQYNOFZJUVDBKQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224712769 802896459 /nfs/dbraw/zinc/89/64/59/802896459.db2.gz MCXPJPBNDRLXDD-UHFFFAOYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226333203 803092744 /nfs/dbraw/zinc/09/27/44/803092744.db2.gz GCXHAXGMDBJEAM-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226767758 803155298 /nfs/dbraw/zinc/15/52/98/803155298.db2.gz WEUCEDCXDVMQDQ-RCCFBDPRSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001227669052 803264326 /nfs/dbraw/zinc/26/43/26/803264326.db2.gz KHNYGSMKGMTRDB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138226 803324689 /nfs/dbraw/zinc/32/46/89/803324689.db2.gz QZACMWMCDNNSMD-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001331529538 1149508872 /nfs/dbraw/zinc/50/88/72/1149508872.db2.gz KVEQPIJSIKJOAR-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001499986783 1058415379 /nfs/dbraw/zinc/41/53/79/1058415379.db2.gz QSEHMSXXSRSHCR-HNNXBMFYSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001500241865 1058629328 /nfs/dbraw/zinc/62/93/28/1058629328.db2.gz BZNFNKSRKNOUKG-IBGZPJMESA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500241865 1058629334 /nfs/dbraw/zinc/62/93/34/1058629334.db2.gz BZNFNKSRKNOUKG-IBGZPJMESA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001500241865 1058629338 /nfs/dbraw/zinc/62/93/38/1058629338.db2.gz BZNFNKSRKNOUKG-IBGZPJMESA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500547101 1058915543 /nfs/dbraw/zinc/91/55/43/1058915543.db2.gz ODKHAIVPFBGWPM-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500547101 1058915560 /nfs/dbraw/zinc/91/55/60/1058915560.db2.gz ODKHAIVPFBGWPM-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500547101 1058915578 /nfs/dbraw/zinc/91/55/78/1058915578.db2.gz ODKHAIVPFBGWPM-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001467727671 1059690313 /nfs/dbraw/zinc/69/03/13/1059690313.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001467727671 1059690324 /nfs/dbraw/zinc/69/03/24/1059690324.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001467727671 1059690338 /nfs/dbraw/zinc/69/03/38/1059690338.db2.gz OSDLOWNGXPUHQV-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C/CC)CCC1 ZINC001501964137 1059813755 /nfs/dbraw/zinc/81/37/55/1059813755.db2.gz GJFGDDBBSMWMLS-RTRPANQVSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC/C=C/CC)CCC1 ZINC001501964137 1059813783 /nfs/dbraw/zinc/81/37/83/1059813783.db2.gz GJFGDDBBSMWMLS-RTRPANQVSA-N 2 1 317.477 2.069 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001502387106 1060100924 /nfs/dbraw/zinc/10/09/24/1060100924.db2.gz LMJAPIMNWYZQMK-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001506865661 1062447943 /nfs/dbraw/zinc/44/79/43/1062447943.db2.gz PNAMETYWPKLLNX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001506865661 1062447952 /nfs/dbraw/zinc/44/79/52/1062447952.db2.gz PNAMETYWPKLLNX-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507162230 1062937155 /nfs/dbraw/zinc/93/71/55/1062937155.db2.gz FJIBLGLUFWXWSF-OAHLLOKOSA-N 2 1 323.868 2.307 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507162230 1062937183 /nfs/dbraw/zinc/93/71/83/1062937183.db2.gz FJIBLGLUFWXWSF-OAHLLOKOSA-N 2 1 323.868 2.307 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480621900 1063114209 /nfs/dbraw/zinc/11/42/09/1063114209.db2.gz CLQBFJPOIOZIOC-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001507358849 1063150924 /nfs/dbraw/zinc/15/09/24/1063150924.db2.gz XXIOASWPMPEQGH-FUHWJXTLSA-N 2 1 305.466 2.162 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001507961245 1063478386 /nfs/dbraw/zinc/47/83/86/1063478386.db2.gz IJHASMIEKYTSGO-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001493209814 1063641892 /nfs/dbraw/zinc/64/18/92/1063641892.db2.gz COHXSEQKZVBTCM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493209814 1063641900 /nfs/dbraw/zinc/64/19/00/1063641900.db2.gz COHXSEQKZVBTCM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493209814 1063641912 /nfs/dbraw/zinc/64/19/12/1063641912.db2.gz COHXSEQKZVBTCM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965525 1064045820 /nfs/dbraw/zinc/04/58/20/1064045820.db2.gz VEATYLFWFBTVKJ-OAHLLOKOSA-N 2 1 324.856 2.257 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001494152259 1064143753 /nfs/dbraw/zinc/14/37/53/1064143753.db2.gz BHQOVLQMOUMUQG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494152259 1064143755 /nfs/dbraw/zinc/14/37/55/1064143755.db2.gz BHQOVLQMOUMUQG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494152259 1064143757 /nfs/dbraw/zinc/14/37/57/1064143757.db2.gz BHQOVLQMOUMUQG-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001567425821 1064194911 /nfs/dbraw/zinc/19/49/11/1064194911.db2.gz FAZSWIFLKXNIRB-UHFFFAOYSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567701244 1064359720 /nfs/dbraw/zinc/35/97/20/1064359720.db2.gz FOIGUHIBRHGCIJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567701244 1064359733 /nfs/dbraw/zinc/35/97/33/1064359733.db2.gz FOIGUHIBRHGCIJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567701244 1064359745 /nfs/dbraw/zinc/35/97/45/1064359745.db2.gz FOIGUHIBRHGCIJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567731990 1064383975 /nfs/dbraw/zinc/38/39/75/1064383975.db2.gz TXATWFMFCASCAR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567731990 1064383984 /nfs/dbraw/zinc/38/39/84/1064383984.db2.gz TXATWFMFCASCAR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567731990 1064383993 /nfs/dbraw/zinc/38/39/93/1064383993.db2.gz TXATWFMFCASCAR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567731249 1064384144 /nfs/dbraw/zinc/38/41/44/1064384144.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567731249 1064384152 /nfs/dbraw/zinc/38/41/52/1064384152.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567731249 1064384161 /nfs/dbraw/zinc/38/41/61/1064384161.db2.gz KNQMKULRSHEMKV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568176007 1064684805 /nfs/dbraw/zinc/68/48/05/1064684805.db2.gz PIYXUSQJMLVWOJ-NVXWUHKLSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495397504 1064882351 /nfs/dbraw/zinc/88/23/51/1064882351.db2.gz RETVFCUWAVTSCN-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001568506442 1064919495 /nfs/dbraw/zinc/91/94/95/1064919495.db2.gz JMUOJHYSIMWBSL-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001568506442 1064919503 /nfs/dbraw/zinc/91/95/03/1064919503.db2.gz JMUOJHYSIMWBSL-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001568506442 1064919513 /nfs/dbraw/zinc/91/95/13/1064919513.db2.gz JMUOJHYSIMWBSL-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001568506442 1064919519 /nfs/dbraw/zinc/91/95/19/1064919519.db2.gz JMUOJHYSIMWBSL-UHFFFAOYSA-N 2 1 303.450 2.085 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001568997609 1065234282 /nfs/dbraw/zinc/23/42/82/1065234282.db2.gz HJARZULFWFZOQK-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001568997609 1065234292 /nfs/dbraw/zinc/23/42/92/1065234292.db2.gz HJARZULFWFZOQK-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001496313144 1065402423 /nfs/dbraw/zinc/40/24/23/1065402423.db2.gz VYQCCRPSZXZEPU-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001569321525 1065427722 /nfs/dbraw/zinc/42/77/22/1065427722.db2.gz QMCFXTKFPDPZTM-SJORKVTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001496442817 1065471564 /nfs/dbraw/zinc/47/15/64/1065471564.db2.gz IBYJKXGDRWSTHQ-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001496563961 1065564832 /nfs/dbraw/zinc/56/48/32/1065564832.db2.gz AFUQVSIEKRTOTQ-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001569707180 1065681291 /nfs/dbraw/zinc/68/12/91/1065681291.db2.gz OBVBUCYJZADFTB-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569716420 1065686996 /nfs/dbraw/zinc/68/69/96/1065686996.db2.gz XGLOFJLZUXEQBC-PKOBYXMFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001569716417 1065687070 /nfs/dbraw/zinc/68/70/70/1065687070.db2.gz XGLOFJLZUXEQBC-HKUYNNGSSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001496782248 1065709456 /nfs/dbraw/zinc/70/94/56/1065709456.db2.gz XUKBUAROKUYDCW-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001496782248 1065709466 /nfs/dbraw/zinc/70/94/66/1065709466.db2.gz XUKBUAROKUYDCW-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001496782248 1065709479 /nfs/dbraw/zinc/70/94/79/1065709479.db2.gz XUKBUAROKUYDCW-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001496871512 1065768892 /nfs/dbraw/zinc/76/88/92/1065768892.db2.gz ZJBIENXRJHEATP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001626536310 1078257096 /nfs/dbraw/zinc/25/70/96/1078257096.db2.gz FMMYKMRVOZUBAW-LJQANCHMSA-N 2 1 315.461 2.133 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570198594 1065969217 /nfs/dbraw/zinc/96/92/17/1065969217.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570198594 1065969226 /nfs/dbraw/zinc/96/92/26/1065969226.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570198594 1065969237 /nfs/dbraw/zinc/96/92/37/1065969237.db2.gz DUVCMLGONUOVAN-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001570274518 1066000681 /nfs/dbraw/zinc/00/06/81/1066000681.db2.gz FHWZWHYNMJGWGV-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001498458172 1066720988 /nfs/dbraw/zinc/72/09/88/1066720988.db2.gz RQEPJFMBVIHJQN-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001483368750 1078488011 /nfs/dbraw/zinc/48/80/11/1078488011.db2.gz QQHOFBVOQDGXRJ-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483368750 1078488014 /nfs/dbraw/zinc/48/80/14/1078488014.db2.gz QQHOFBVOQDGXRJ-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483368750 1078488017 /nfs/dbraw/zinc/48/80/17/1078488017.db2.gz QQHOFBVOQDGXRJ-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001499482346 1067233995 /nfs/dbraw/zinc/23/39/95/1067233995.db2.gz VAFUTQTUTCUDFZ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001499482346 1067234001 /nfs/dbraw/zinc/23/40/01/1067234001.db2.gz VAFUTQTUTCUDFZ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001499518814 1067243092 /nfs/dbraw/zinc/24/30/92/1067243092.db2.gz HHDGXQXRCZSIMJ-GOSISDBHSA-N 2 1 321.509 2.491 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066600 1067487935 /nfs/dbraw/zinc/48/79/35/1067487935.db2.gz OJNNJDAWXYNOGZ-WBVHZDCISA-N 2 1 314.389 2.417 20 30 DEEDMP N#Cc1ccc(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066600 1067487938 /nfs/dbraw/zinc/48/79/38/1067487938.db2.gz OJNNJDAWXYNOGZ-WBVHZDCISA-N 2 1 314.389 2.417 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107665 1078584740 /nfs/dbraw/zinc/58/47/40/1078584740.db2.gz IUVNSKCPZNOURS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267107665 1078584746 /nfs/dbraw/zinc/58/47/46/1078584746.db2.gz IUVNSKCPZNOURS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267107665 1078584750 /nfs/dbraw/zinc/58/47/50/1078584750.db2.gz IUVNSKCPZNOURS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267132758 1078605184 /nfs/dbraw/zinc/60/51/84/1078605184.db2.gz SCFYJLIPZYNJSV-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001570534149 1067989445 /nfs/dbraw/zinc/98/94/45/1067989445.db2.gz CQXCXDXOLVALCA-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267174067 1078638224 /nfs/dbraw/zinc/63/82/24/1078638224.db2.gz VRUVRFJUNRTDPF-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710068 1068086263 /nfs/dbraw/zinc/08/62/63/1068086263.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710068 1068086275 /nfs/dbraw/zinc/08/62/75/1068086275.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710068 1068086289 /nfs/dbraw/zinc/08/62/89/1068086289.db2.gz ASXDWQVIIAAVQX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570907271 1068157887 /nfs/dbraw/zinc/15/78/87/1068157887.db2.gz CYXOQGJGKQCQKZ-HOTGVXAUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001570938211 1068163734 /nfs/dbraw/zinc/16/37/34/1068163734.db2.gz LXESJSZACOMMNY-OSYLJGHBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001570938211 1068163740 /nfs/dbraw/zinc/16/37/40/1068163740.db2.gz LXESJSZACOMMNY-OSYLJGHBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001570938211 1068163746 /nfs/dbraw/zinc/16/37/46/1068163746.db2.gz LXESJSZACOMMNY-OSYLJGHBSA-N 2 1 319.493 2.119 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639549 1068453829 /nfs/dbraw/zinc/45/38/29/1068453829.db2.gz QPKIDQQLJVLOFK-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483672680 1078770980 /nfs/dbraw/zinc/77/09/80/1078770980.db2.gz WOMAOYZEGHZJTM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001483672680 1078770989 /nfs/dbraw/zinc/77/09/89/1078770989.db2.gz WOMAOYZEGHZJTM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001483672680 1078770997 /nfs/dbraw/zinc/77/09/97/1078770997.db2.gz WOMAOYZEGHZJTM-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001521462343 1069243843 /nfs/dbraw/zinc/24/38/43/1069243843.db2.gz DCMWMXWDYGQHBJ-YJBOKZPZSA-N 2 1 315.461 2.233 20 30 DEEDMP C=CC[N@H+](CCc1ccccc1)CC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574929366 1069298780 /nfs/dbraw/zinc/29/87/80/1069298780.db2.gz ALBYCWQBKZNQCR-DFNIBXOVSA-N 2 1 300.446 2.363 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267544333 1078973240 /nfs/dbraw/zinc/97/32/40/1078973240.db2.gz KCVREQRADKDAIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267544333 1078973245 /nfs/dbraw/zinc/97/32/45/1078973245.db2.gz KCVREQRADKDAIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267544333 1078973252 /nfs/dbraw/zinc/97/32/52/1078973252.db2.gz KCVREQRADKDAIF-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001267604022 1079172032 /nfs/dbraw/zinc/17/20/32/1079172032.db2.gz GUIXLZKBAORZGA-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072410 1079287716 /nfs/dbraw/zinc/28/77/16/1079287716.db2.gz UZNBOMYGMZRCEU-SFHVURJKSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484163436 1079338126 /nfs/dbraw/zinc/33/81/26/1079338126.db2.gz JZZHEAVKZOULMA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484163436 1079338135 /nfs/dbraw/zinc/33/81/35/1079338135.db2.gz JZZHEAVKZOULMA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484163436 1079338139 /nfs/dbraw/zinc/33/81/39/1079338139.db2.gz JZZHEAVKZOULMA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267657828 1079348160 /nfs/dbraw/zinc/34/81/60/1079348160.db2.gz FVFQUEDUBOGMGV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657828 1079348162 /nfs/dbraw/zinc/34/81/62/1079348162.db2.gz FVFQUEDUBOGMGV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657828 1079348170 /nfs/dbraw/zinc/34/81/70/1079348170.db2.gz FVFQUEDUBOGMGV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560488895 1075141508 /nfs/dbraw/zinc/14/15/08/1075141508.db2.gz CENRJJCUYLTGSA-QGZVFWFLSA-N 2 1 300.446 2.487 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(cccc2OC)C1 ZINC001560488895 1075141510 /nfs/dbraw/zinc/14/15/10/1075141510.db2.gz CENRJJCUYLTGSA-QGZVFWFLSA-N 2 1 300.446 2.487 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001565960799 1075210515 /nfs/dbraw/zinc/21/05/15/1075210515.db2.gz CJIOFCBZDNAQLR-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001565977328 1075212509 /nfs/dbraw/zinc/21/25/09/1075212509.db2.gz YOMBRDRERDDBEM-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689277 1079376450 /nfs/dbraw/zinc/37/64/50/1079376450.db2.gz CWCDEWVDNNEQHD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668883 1075310821 /nfs/dbraw/zinc/31/08/21/1075310821.db2.gz DONULDRSMZJNJJ-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001566755363 1075337301 /nfs/dbraw/zinc/33/73/01/1075337301.db2.gz DBSZLMBIWULIJU-HDICACEKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001566790787 1075345067 /nfs/dbraw/zinc/34/50/67/1075345067.db2.gz YCHCOJBQUREPRH-QBPKDAKJSA-N 2 1 307.482 2.451 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567192101 1075458848 /nfs/dbraw/zinc/45/88/48/1075458848.db2.gz TXPPHPIWUFUIFH-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567192101 1075458852 /nfs/dbraw/zinc/45/88/52/1075458852.db2.gz TXPPHPIWUFUIFH-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567192101 1075458857 /nfs/dbraw/zinc/45/88/57/1075458857.db2.gz TXPPHPIWUFUIFH-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001567263685 1075480272 /nfs/dbraw/zinc/48/02/72/1075480272.db2.gz ZLVOCIBIZSPWEC-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567264048 1075480437 /nfs/dbraw/zinc/48/04/37/1075480437.db2.gz AOAGJFPZOPVNRW-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790620 1079497365 /nfs/dbraw/zinc/49/73/65/1079497365.db2.gz OGFYIOWGGCNICK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790620 1079497369 /nfs/dbraw/zinc/49/73/69/1079497369.db2.gz OGFYIOWGGCNICK-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001267989743 1079671554 /nfs/dbraw/zinc/67/15/54/1079671554.db2.gz NVQBDVNVKHBMPI-WMZOPIPTSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001267989743 1079671559 /nfs/dbraw/zinc/67/15/59/1079671559.db2.gz NVQBDVNVKHBMPI-WMZOPIPTSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001484926312 1079858096 /nfs/dbraw/zinc/85/80/96/1079858096.db2.gz ONXQCRAWAMJJIE-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481487616 1079945051 /nfs/dbraw/zinc/94/50/51/1079945051.db2.gz GEQYDCDKTRRBPF-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001656143158 1080053829 /nfs/dbraw/zinc/05/38/29/1080053829.db2.gz LAQBLEGJBCRIJU-IYBDPMFKSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268155195 1080127926 /nfs/dbraw/zinc/12/79/26/1080127926.db2.gz GYLNUYYSZBDDRP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001268198361 1080185571 /nfs/dbraw/zinc/18/55/71/1080185571.db2.gz XFFDKMACLKZUDQ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001268198361 1080185575 /nfs/dbraw/zinc/18/55/75/1080185575.db2.gz XFFDKMACLKZUDQ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001268198361 1080185581 /nfs/dbraw/zinc/18/55/81/1080185581.db2.gz XFFDKMACLKZUDQ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001485432713 1080205132 /nfs/dbraw/zinc/20/51/32/1080205132.db2.gz BBQLGSUNBQJQQX-GVDBMIGSSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001485470525 1080235273 /nfs/dbraw/zinc/23/52/73/1080235273.db2.gz YDXONIPMXZMWNH-HZPDHXFCSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001659328950 1080238704 /nfs/dbraw/zinc/23/87/04/1080238704.db2.gz QWNHMRMYWPWJBM-UHFFFAOYSA-N 2 1 323.481 2.226 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001659328950 1080238711 /nfs/dbraw/zinc/23/87/11/1080238711.db2.gz QWNHMRMYWPWJBM-UHFFFAOYSA-N 2 1 323.481 2.226 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494054534 1080371952 /nfs/dbraw/zinc/37/19/52/1080371952.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054534 1080371958 /nfs/dbraw/zinc/37/19/58/1080371958.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494054534 1080371963 /nfs/dbraw/zinc/37/19/63/1080371963.db2.gz KMNPSTYBGUGCIQ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001485723656 1080391615 /nfs/dbraw/zinc/39/16/15/1080391615.db2.gz GTVJFBKXQTUUAL-AEFFLSMTSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001485765451 1080421476 /nfs/dbraw/zinc/42/14/76/1080421476.db2.gz KQBPLFVTAGLDNE-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001279328931 1080456842 /nfs/dbraw/zinc/45/68/42/1080456842.db2.gz MYKNBNLIPIQUCQ-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661216134 1080456823 /nfs/dbraw/zinc/45/68/23/1080456823.db2.gz KBTSNAONMAUWAC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661216134 1080456825 /nfs/dbraw/zinc/45/68/25/1080456825.db2.gz KBTSNAONMAUWAC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001661216134 1080456831 /nfs/dbraw/zinc/45/68/31/1080456831.db2.gz KBTSNAONMAUWAC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481772229 1080489830 /nfs/dbraw/zinc/48/98/30/1080489830.db2.gz USSPKQMJZVLJKS-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481772229 1080489838 /nfs/dbraw/zinc/48/98/38/1080489838.db2.gz USSPKQMJZVLJKS-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001661601951 1080498336 /nfs/dbraw/zinc/49/83/36/1080498336.db2.gz SIYPHMRIBIHXEW-KFWWJZLASA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001268458209 1080523216 /nfs/dbraw/zinc/52/32/16/1080523216.db2.gz HFDRCUFZPRVERL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662791499 1080656676 /nfs/dbraw/zinc/65/66/76/1080656676.db2.gz PTYWGYNYQKJAPC-CVEARBPZSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663067874 1080695129 /nfs/dbraw/zinc/69/51/29/1080695129.db2.gz ZCGHBYPNICVFJY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663067874 1080695131 /nfs/dbraw/zinc/69/51/31/1080695131.db2.gz ZCGHBYPNICVFJY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663067874 1080695135 /nfs/dbraw/zinc/69/51/35/1080695135.db2.gz ZCGHBYPNICVFJY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726155 1080949364 /nfs/dbraw/zinc/94/93/64/1080949364.db2.gz FQVIMLADAKZJGK-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665741979 1081075209 /nfs/dbraw/zinc/07/52/09/1081075209.db2.gz IPAPDIHRSXHZKF-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001666054813 1081116488 /nfs/dbraw/zinc/11/64/88/1081116488.db2.gz FNQMFSYDKDYTOU-QAPCUYQASA-N 2 1 318.465 2.422 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001666364054 1081148002 /nfs/dbraw/zinc/14/80/02/1081148002.db2.gz DMYHOJBMMSSCAI-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666619625 1081167499 /nfs/dbraw/zinc/16/74/99/1081167499.db2.gz HJZQAYZMQZCNLF-PBHICJAKSA-N 2 1 313.461 2.117 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667133848 1081215187 /nfs/dbraw/zinc/21/51/87/1081215187.db2.gz ACVWXIVINDFFAP-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667151055 1081216802 /nfs/dbraw/zinc/21/68/02/1081216802.db2.gz JHOAYDZKKJUFGE-RDJZCZTQSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001284600054 1081340014 /nfs/dbraw/zinc/34/00/14/1081340014.db2.gz YJFYSJRBERPMSK-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668321106 1081341057 /nfs/dbraw/zinc/34/10/57/1081341057.db2.gz WRQUUJMURYLQHE-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001668900337 1081408395 /nfs/dbraw/zinc/40/83/95/1081408395.db2.gz XMKANMZFLUHLIJ-HJWRWDBZSA-N 2 1 307.482 2.478 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671916449 1081550227 /nfs/dbraw/zinc/55/02/27/1081550227.db2.gz LXPDVZCTVVMBMJ-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671916449 1081550235 /nfs/dbraw/zinc/55/02/35/1081550235.db2.gz LXPDVZCTVVMBMJ-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671916449 1081550239 /nfs/dbraw/zinc/55/02/39/1081550239.db2.gz LXPDVZCTVVMBMJ-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2ccnc2C(C)C)C1 ZINC001270631476 1081575694 /nfs/dbraw/zinc/57/56/94/1081575694.db2.gz CANJJHQJMPEJGZ-QGZVFWFLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001270631476 1081575704 /nfs/dbraw/zinc/57/57/04/1081575704.db2.gz CANJJHQJMPEJGZ-QGZVFWFLSA-N 2 1 304.438 2.163 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001674154775 1081847270 /nfs/dbraw/zinc/84/72/70/1081847270.db2.gz MJVVRWWUGZADND-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001674469458 1081877666 /nfs/dbraw/zinc/87/76/66/1081877666.db2.gz KNGXNVMGURYWMQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001674469458 1081877670 /nfs/dbraw/zinc/87/76/70/1081877670.db2.gz KNGXNVMGURYWMQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001674469458 1081877675 /nfs/dbraw/zinc/87/76/75/1081877675.db2.gz KNGXNVMGURYWMQ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373447 1082005447 /nfs/dbraw/zinc/00/54/47/1082005447.db2.gz DHNABZXSZIRXDM-KRWDZBQOSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001271318865 1082011482 /nfs/dbraw/zinc/01/14/82/1082011482.db2.gz XXDFCNAQNOWQDW-IAGOWNOFSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266466616 1082055350 /nfs/dbraw/zinc/05/53/50/1082055350.db2.gz RQCPKVXHYHWZKK-IAGOWNOFSA-N 2 1 309.498 2.319 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001271764265 1082147837 /nfs/dbraw/zinc/14/78/37/1082147837.db2.gz JFNLIVYBYQYUGF-KZNAEPCWSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266573344 1082167403 /nfs/dbraw/zinc/16/74/03/1082167403.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266573344 1082167405 /nfs/dbraw/zinc/16/74/05/1082167405.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266573344 1082167406 /nfs/dbraw/zinc/16/74/06/1082167406.db2.gz QPGHOQSWAILBQM-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001670586985 1082189211 /nfs/dbraw/zinc/18/92/11/1082189211.db2.gz DHFAOKQVWOCXRM-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001266947680 1082469345 /nfs/dbraw/zinc/46/93/45/1082469345.db2.gz ASHRXMNSPLNADW-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001266947680 1082469350 /nfs/dbraw/zinc/46/93/50/1082469350.db2.gz ASHRXMNSPLNADW-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001276593036 1083502689 /nfs/dbraw/zinc/50/26/89/1083502689.db2.gz DVDPWMZMLLLNOW-MRXNPFEDSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001276593036 1083502702 /nfs/dbraw/zinc/50/27/02/1083502702.db2.gz DVDPWMZMLLLNOW-MRXNPFEDSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001276593036 1083502717 /nfs/dbraw/zinc/50/27/17/1083502717.db2.gz DVDPWMZMLLLNOW-MRXNPFEDSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001276593036 1083502730 /nfs/dbraw/zinc/50/27/30/1083502730.db2.gz DVDPWMZMLLLNOW-MRXNPFEDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001276839509 1083639987 /nfs/dbraw/zinc/63/99/87/1083639987.db2.gz JPUQZFVSWHEPKU-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001276875902 1083657820 /nfs/dbraw/zinc/65/78/20/1083657820.db2.gz QELQGYOCWMSEQR-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001276875902 1083657826 /nfs/dbraw/zinc/65/78/26/1083657826.db2.gz QELQGYOCWMSEQR-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001276875902 1083657829 /nfs/dbraw/zinc/65/78/29/1083657829.db2.gz QELQGYOCWMSEQR-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001276875902 1083657836 /nfs/dbraw/zinc/65/78/36/1083657836.db2.gz QELQGYOCWMSEQR-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276885334 1083663486 /nfs/dbraw/zinc/66/34/86/1083663486.db2.gz HXFRWUFSOQSQMQ-VQIMIIECSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1 ZINC001277151973 1083813157 /nfs/dbraw/zinc/81/31/57/1083813157.db2.gz NYDSIZOSJUXQQY-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491120502 1084086953 /nfs/dbraw/zinc/08/69/53/1084086953.db2.gz QGWLJQLTEPRXRW-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001491122400 1084087557 /nfs/dbraw/zinc/08/75/57/1084087557.db2.gz IYNRXUHMPAEQMD-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001277702247 1084102657 /nfs/dbraw/zinc/10/26/57/1084102657.db2.gz JMTQYVPVSIJCAV-ZWKOTPCHSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168594830 1084111863 /nfs/dbraw/zinc/11/18/63/1084111863.db2.gz AYTKZLWJMSWGFQ-UHFFFAOYSA-N 2 1 303.878 2.347 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491236927 1084174709 /nfs/dbraw/zinc/17/47/09/1084174709.db2.gz PXWDLULWVMBZBT-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277915354 1084267075 /nfs/dbraw/zinc/26/70/75/1084267075.db2.gz XRBRCBFPRAYIBV-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961413017 1085723510 /nfs/dbraw/zinc/72/35/10/1085723510.db2.gz WREFQBZFCNZUKZ-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCN1CC[C@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127540 1086287878 /nfs/dbraw/zinc/28/78/78/1086287878.db2.gz DDBXSESEJWSDHZ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000963677174 1086536514 /nfs/dbraw/zinc/53/65/14/1086536514.db2.gz CJNNNZRFZNGTIW-UHFFFAOYSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963787375 1086559325 /nfs/dbraw/zinc/55/93/25/1086559325.db2.gz IWABDNNSLHRUDI-APUKJBRXSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000957422032 1088275731 /nfs/dbraw/zinc/27/57/31/1088275731.db2.gz FKRZXJZTPXLROL-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001085196967 1088607551 /nfs/dbraw/zinc/60/75/51/1088607551.db2.gz WZXHRSBYMLXEIE-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000957786263 1088613941 /nfs/dbraw/zinc/61/39/41/1088613941.db2.gz CQNYUTHWHMILEN-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001080710912 1089150494 /nfs/dbraw/zinc/15/04/94/1089150494.db2.gz ZLSKMSRHMUEQBN-CRAIPNDOSA-N 2 1 324.428 2.499 20 30 DEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001080998155 1089286506 /nfs/dbraw/zinc/28/65/06/1089286506.db2.gz VGDJVWHADKIHTR-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513283 1089996301 /nfs/dbraw/zinc/99/63/01/1089996301.db2.gz HGDIVBOHGGIHBV-SOLBZPMBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570213 1090007762 /nfs/dbraw/zinc/00/77/62/1090007762.db2.gz CBIXCKUYKNOMBA-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970648 1090555140 /nfs/dbraw/zinc/55/51/40/1090555140.db2.gz OJQZJZGRJIJUTD-ZACQAIPSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101456 1090645257 /nfs/dbraw/zinc/64/52/57/1090645257.db2.gz LVCGPRAUTAIYDN-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001274925556 1091476837 /nfs/dbraw/zinc/47/68/37/1091476837.db2.gz HUUCBZBQIKBBJB-NXHRZFHOSA-N 2 1 315.461 2.002 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001275024729 1091518993 /nfs/dbraw/zinc/51/89/93/1091518993.db2.gz PFBWDNAIEQLOJT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275131304 1091571976 /nfs/dbraw/zinc/57/19/76/1091571976.db2.gz OUJKPXASOSPOGJ-MSOLQXFVSA-N 2 1 311.514 2.294 20 30 DEEDMP C#CC[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001276138997 1091588116 /nfs/dbraw/zinc/58/81/16/1091588116.db2.gz SDPCGQHHRFZJHA-MRXNPFEDSA-N 2 1 318.465 2.102 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001276207448 1091691282 /nfs/dbraw/zinc/69/12/82/1091691282.db2.gz DADKGYLLLKHOPP-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671075730 1091731497 /nfs/dbraw/zinc/73/14/97/1091731497.db2.gz WXCQDALDPJKFAQ-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948756211 1091916745 /nfs/dbraw/zinc/91/67/45/1091916745.db2.gz ZZOUXDZGBHGOKZ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925177 /nfs/dbraw/zinc/92/51/77/1091925177.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925185 /nfs/dbraw/zinc/92/51/85/1091925185.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767715 1091925193 /nfs/dbraw/zinc/92/51/93/1091925193.db2.gz ZRNIZCODWHIATH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688167 1092687030 /nfs/dbraw/zinc/68/70/30/1092687030.db2.gz GTOUSULMRMGVEG-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688167 1092687033 /nfs/dbraw/zinc/68/70/33/1092687033.db2.gz GTOUSULMRMGVEG-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001488955154 1092848409 /nfs/dbraw/zinc/84/84/09/1092848409.db2.gz FJZDTRDBFISBMC-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001489238848 1092999817 /nfs/dbraw/zinc/99/98/17/1092999817.db2.gz PSFRFUJLMJHPRY-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001480272668 1151736591 /nfs/dbraw/zinc/73/65/91/1151736591.db2.gz XMOOKJYFRCWMHJ-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001691745905 1138293404 /nfs/dbraw/zinc/29/34/04/1138293404.db2.gz VZIDSBKCXOKOIO-XWTMOSNGSA-N 2 1 319.493 2.454 20 30 DEEDMP CC[NH+]1C[C@@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@H]2C1 ZINC001237472966 1138647501 /nfs/dbraw/zinc/64/75/01/1138647501.db2.gz XLYXTHDUYJVUQQ-HZPDHXFCSA-N 2 1 308.429 2.433 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278250160 1138857865 /nfs/dbraw/zinc/85/78/65/1138857865.db2.gz IPOFDFXDYKCVAT-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001316668717 1140308569 /nfs/dbraw/zinc/30/85/69/1140308569.db2.gz KFDPMOKVTSWPQS-KRWDZBQOSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318446183 1140333229 /nfs/dbraw/zinc/33/32/29/1140333229.db2.gz TYUMLAXDFMLKAI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318446183 1140333240 /nfs/dbraw/zinc/33/32/40/1140333240.db2.gz TYUMLAXDFMLKAI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318446183 1140333247 /nfs/dbraw/zinc/33/32/47/1140333247.db2.gz TYUMLAXDFMLKAI-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320020638 1140813012 /nfs/dbraw/zinc/81/30/12/1140813012.db2.gz JYURCNQIVSLBCB-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCSCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320081705 1140819794 /nfs/dbraw/zinc/81/97/94/1140819794.db2.gz PJABGNLDUNQINZ-UHFFFAOYSA-N 2 1 321.465 2.034 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001321107990 1141054666 /nfs/dbraw/zinc/05/46/66/1141054666.db2.gz DAECNQPPWZMMNE-WCYDHSITSA-N 2 1 311.857 2.018 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001321543543 1141305180 /nfs/dbraw/zinc/30/51/80/1141305180.db2.gz VFPIZPHFJBDKGP-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001321543543 1141305185 /nfs/dbraw/zinc/30/51/85/1141305185.db2.gz VFPIZPHFJBDKGP-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001322173494 1141434861 /nfs/dbraw/zinc/43/48/61/1141434861.db2.gz AJLORXMLCQDUTN-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001322173494 1141434886 /nfs/dbraw/zinc/43/48/86/1141434886.db2.gz AJLORXMLCQDUTN-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001322173494 1141434905 /nfs/dbraw/zinc/43/49/05/1141434905.db2.gz AJLORXMLCQDUTN-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1=CCCCC1 ZINC001322173494 1141434943 /nfs/dbraw/zinc/43/49/43/1141434943.db2.gz AJLORXMLCQDUTN-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP CCc1cc(C#N)ccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001248752053 1141813282 /nfs/dbraw/zinc/81/32/82/1141813282.db2.gz VGKMCJRMMUERAL-UHFFFAOYSA-N 2 1 314.477 2.190 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358078 1141845641 /nfs/dbraw/zinc/84/56/41/1141845641.db2.gz RFAFPCBWSZLSBI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001323946065 1141910361 /nfs/dbraw/zinc/91/03/61/1141910361.db2.gz JPUFTNFHTDWTSU-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001323946065 1141910403 /nfs/dbraw/zinc/91/04/03/1141910403.db2.gz JPUFTNFHTDWTSU-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC2CCC2)CC1 ZINC001324440931 1142078480 /nfs/dbraw/zinc/07/84/80/1142078480.db2.gz JHDRLDUIBPEVGO-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252481591 1142729362 /nfs/dbraw/zinc/72/93/62/1142729362.db2.gz DJBWFRXDMWQHSZ-BHIYHBOVSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001252481591 1142729379 /nfs/dbraw/zinc/72/93/79/1142729379.db2.gz DJBWFRXDMWQHSZ-BHIYHBOVSA-N 2 1 318.461 2.193 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252945034 1142832898 /nfs/dbraw/zinc/83/28/98/1142832898.db2.gz WHWWQDCWFWNJKV-UHOSZYNNSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252945034 1142832899 /nfs/dbraw/zinc/83/28/99/1142832899.db2.gz WHWWQDCWFWNJKV-UHOSZYNNSA-N 2 1 313.445 2.295 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001341701323 1143672649 /nfs/dbraw/zinc/67/26/49/1143672649.db2.gz OIROUBYLPGJXJZ-QZTJIDSGSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341731495 1143687024 /nfs/dbraw/zinc/68/70/24/1143687024.db2.gz BVSVBUHUBWNTQR-BPQIPLTHSA-N 2 1 315.461 2.307 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001263865841 1144416359 /nfs/dbraw/zinc/41/63/59/1144416359.db2.gz VYVDMSFXLCAGMY-LUKYLMHMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032293 1144445422 /nfs/dbraw/zinc/44/54/22/1144445422.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032293 1144445423 /nfs/dbraw/zinc/44/54/23/1144445423.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032293 1144445424 /nfs/dbraw/zinc/44/54/24/1144445424.db2.gz JRLFSQGINOOWOP-OIISXLGYSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C(C)C ZINC001264032292 1144445858 /nfs/dbraw/zinc/44/58/58/1144445858.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001264032292 1144445863 /nfs/dbraw/zinc/44/58/63/1144445863.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001264032292 1144445869 /nfs/dbraw/zinc/44/58/69/1144445869.db2.gz JRLFSQGINOOWOP-HYVNUMGLSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001264424397 1144536024 /nfs/dbraw/zinc/53/60/24/1144536024.db2.gz GWBIWXAXSMWGLG-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001265334338 1144694959 /nfs/dbraw/zinc/69/49/59/1144694959.db2.gz PAKVGQKLYFEIRZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265503106 1144707744 /nfs/dbraw/zinc/70/77/44/1144707744.db2.gz IZXFMVGVDVABGL-ULQDDVLXSA-N 2 1 301.434 2.102 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523914 1144708749 /nfs/dbraw/zinc/70/87/49/1144708749.db2.gz QVRUGVJZAYKHGJ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265613550 1144718087 /nfs/dbraw/zinc/71/80/87/1144718087.db2.gz QVKZAKJTIHHJDV-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001265786416 1144741255 /nfs/dbraw/zinc/74/12/55/1144741255.db2.gz NADYZKFPJGHDFH-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001265786416 1144741258 /nfs/dbraw/zinc/74/12/58/1144741258.db2.gz NADYZKFPJGHDFH-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265914774 1144756238 /nfs/dbraw/zinc/75/62/38/1144756238.db2.gz WJLBLWKSSMAKLP-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266041451 1144798730 /nfs/dbraw/zinc/79/87/30/1144798730.db2.gz VRJWKCCBHFBDSN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001266099381 1144805286 /nfs/dbraw/zinc/80/52/86/1144805286.db2.gz FGPYXTREXSOQQZ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266099381 1144805287 /nfs/dbraw/zinc/80/52/87/1144805287.db2.gz FGPYXTREXSOQQZ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001266099381 1144805288 /nfs/dbraw/zinc/80/52/88/1144805288.db2.gz FGPYXTREXSOQQZ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001279566032 1144824802 /nfs/dbraw/zinc/82/48/02/1144824802.db2.gz WIYCLGZPXYJEOR-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001279566032 1144824803 /nfs/dbraw/zinc/82/48/03/1144824803.db2.gz WIYCLGZPXYJEOR-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001279566032 1144824804 /nfs/dbraw/zinc/82/48/04/1144824804.db2.gz WIYCLGZPXYJEOR-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001280095591 1144832055 /nfs/dbraw/zinc/83/20/55/1144832055.db2.gz RDAJRRAMHPYWEB-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951262 1144922975 /nfs/dbraw/zinc/92/29/75/1144922975.db2.gz YUXJYOBCDZLYKI-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951262 1144922978 /nfs/dbraw/zinc/92/29/78/1144922978.db2.gz YUXJYOBCDZLYKI-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001281963957 1144924159 /nfs/dbraw/zinc/92/41/59/1144924159.db2.gz ANEOBEMCBNAWTO-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281963957 1144924161 /nfs/dbraw/zinc/92/41/61/1144924161.db2.gz ANEOBEMCBNAWTO-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281963957 1144924167 /nfs/dbraw/zinc/92/41/67/1144924167.db2.gz ANEOBEMCBNAWTO-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282844622 1145175630 /nfs/dbraw/zinc/17/56/30/1145175630.db2.gz KDWDDQNPCISNEF-FJIDUMEYSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001282844622 1145175636 /nfs/dbraw/zinc/17/56/36/1145175636.db2.gz KDWDDQNPCISNEF-FJIDUMEYSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001282844622 1145175638 /nfs/dbraw/zinc/17/56/38/1145175638.db2.gz KDWDDQNPCISNEF-FJIDUMEYSA-N 2 1 321.509 2.345 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316626071 1145368833 /nfs/dbraw/zinc/36/88/33/1145368833.db2.gz ZAVLNLDQWSCVPL-IXDOHACOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491933455 1147006776 /nfs/dbraw/zinc/00/67/76/1147006776.db2.gz AUFNPOZKPZRXAE-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480732035 1147168552 /nfs/dbraw/zinc/16/85/52/1147168552.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480732035 1147168572 /nfs/dbraw/zinc/16/85/72/1147168572.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001480732035 1147168579 /nfs/dbraw/zinc/16/85/79/1147168579.db2.gz ZUXQHFJFIQEZOT-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCOc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC001308256213 1147460958 /nfs/dbraw/zinc/46/09/58/1147460958.db2.gz MIOMYORGNCQJBE-FUHWJXTLSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC001308256213 1147460968 /nfs/dbraw/zinc/46/09/68/1147460968.db2.gz MIOMYORGNCQJBE-FUHWJXTLSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741973 1147552189 /nfs/dbraw/zinc/55/21/89/1147552189.db2.gz CVEXVDSFLFQBFH-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317158473 1147668011 /nfs/dbraw/zinc/66/80/11/1147668011.db2.gz UOVHJXBUVDJBHM-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317304171 1147688159 /nfs/dbraw/zinc/68/81/59/1147688159.db2.gz OUPITGWVZGSFNU-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001317557783 1147725043 /nfs/dbraw/zinc/72/50/43/1147725043.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001317557783 1147725045 /nfs/dbraw/zinc/72/50/45/1147725045.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001317557783 1147725047 /nfs/dbraw/zinc/72/50/47/1147725047.db2.gz AACSVGNRRBKSPD-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000261977700 530056665 /nfs/dbraw/zinc/05/66/65/530056665.db2.gz GTYDLTWBRVIMRY-LLVKDONJSA-N 2 1 316.327 2.406 20 30 DEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242935 /nfs/dbraw/zinc/24/29/35/191242935.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242938 /nfs/dbraw/zinc/24/29/38/191242938.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859276 191242941 /nfs/dbraw/zinc/24/29/41/191242941.db2.gz OTJOAHIFQXQDHO-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000590604929 357566632 /nfs/dbraw/zinc/56/66/32/357566632.db2.gz RWJPFGCLYWIYPE-GOSISDBHSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000590604929 357566633 /nfs/dbraw/zinc/56/66/33/357566633.db2.gz RWJPFGCLYWIYPE-GOSISDBHSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000590604929 357566634 /nfs/dbraw/zinc/56/66/34/357566634.db2.gz RWJPFGCLYWIYPE-GOSISDBHSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000590604929 357566635 /nfs/dbraw/zinc/56/66/35/357566635.db2.gz RWJPFGCLYWIYPE-GOSISDBHSA-N 2 1 303.450 2.471 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596651218 358732733 /nfs/dbraw/zinc/73/27/33/358732733.db2.gz CCEYXTPQUKEASK-INIZCTEOSA-N 2 1 323.400 2.070 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001422061080 1172265349 /nfs/dbraw/zinc/26/53/49/1172265349.db2.gz PKVJYXBMSDYWMA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP N#CCCN1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000601314268 360004506 /nfs/dbraw/zinc/00/45/06/360004506.db2.gz AGNZQEMMDMHVCM-UHFFFAOYSA-N 2 1 312.461 2.182 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000602515552 360413841 /nfs/dbraw/zinc/41/38/41/360413841.db2.gz PMETXUBKAXWCHF-KRWDZBQOSA-N 2 1 314.477 2.463 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(CC#N)CC3)CC2)CC1 ZINC000602847068 360587257 /nfs/dbraw/zinc/58/72/57/360587257.db2.gz RSQGGZHVJIRHLZ-UHFFFAOYSA-N 2 1 304.482 2.172 20 30 DEEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159019328 402315973 /nfs/dbraw/zinc/31/59/73/402315973.db2.gz KSBGAYURDBFNOE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC1 ZINC000264085778 402837759 /nfs/dbraw/zinc/83/77/59/402837759.db2.gz VPGBIDQLZPYSSV-CYBMUJFWSA-N 2 1 306.479 2.288 20 30 DEEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269401701 403136610 /nfs/dbraw/zinc/13/66/10/403136610.db2.gz GIBJDKQHZXQECW-UHFFFAOYSA-N 2 1 318.440 2.061 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765653 403221598 /nfs/dbraw/zinc/22/15/98/403221598.db2.gz IJVDKMRTOOQPRU-OAHLLOKOSA-N 2 1 313.449 2.099 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500204 403181234 /nfs/dbraw/zinc/18/12/34/403181234.db2.gz WDKZGAUVNIORFW-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276500204 403181236 /nfs/dbraw/zinc/18/12/36/403181236.db2.gz WDKZGAUVNIORFW-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276500204 403181238 /nfs/dbraw/zinc/18/12/38/403181238.db2.gz WDKZGAUVNIORFW-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1ccccc1 ZINC000284995111 403276833 /nfs/dbraw/zinc/27/68/33/403276833.db2.gz HRYRGSHIHZLJPF-HOTGVXAUSA-N 2 1 318.465 2.151 20 30 DEEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1ccccc1 ZINC000284995111 403276835 /nfs/dbraw/zinc/27/68/35/403276835.db2.gz HRYRGSHIHZLJPF-HOTGVXAUSA-N 2 1 318.465 2.151 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)C(C)C ZINC000298654596 403433219 /nfs/dbraw/zinc/43/32/19/403433219.db2.gz GFMXTGZTRUZQIP-KRWDZBQOSA-N 2 1 322.497 2.032 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363661083 404215025 /nfs/dbraw/zinc/21/50/25/404215025.db2.gz PFVBHTREBMNGRG-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NCCC[NH2+]C3CC3)CC2)cc1 ZINC000423573628 405858008 /nfs/dbraw/zinc/85/80/08/405858008.db2.gz ZGCZLCKRWNDBAK-UHFFFAOYSA-N 2 1 312.461 2.254 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898585 782031036 /nfs/dbraw/zinc/03/10/36/782031036.db2.gz LXWOMYSRAWYDNF-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898585 782031048 /nfs/dbraw/zinc/03/10/48/782031048.db2.gz LXWOMYSRAWYDNF-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650714908 425041464 /nfs/dbraw/zinc/04/14/64/425041464.db2.gz HNKPKEHDEUEZJC-CRAIPNDOSA-N 2 1 320.433 2.056 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650714908 425041465 /nfs/dbraw/zinc/04/14/65/425041465.db2.gz HNKPKEHDEUEZJC-CRAIPNDOSA-N 2 1 320.433 2.056 20 30 DEEDMP FC1(F)C[C@]12CC[NH+](CC#CC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649908107 425100043 /nfs/dbraw/zinc/10/00/43/425100043.db2.gz HAEZHNQQUBPGEI-KBPBESRZSA-N 2 1 316.342 2.452 20 30 DEEDMP C=CC[C@]1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CCC[NH2+]1 ZINC000662691957 425714603 /nfs/dbraw/zinc/71/46/03/425714603.db2.gz BIPFNVBTCCSYBY-LJQANCHMSA-N 2 1 315.461 2.453 20 30 DEEDMP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C[C@H](C)O1 ZINC000429684904 288153327 /nfs/dbraw/zinc/15/33/27/288153327.db2.gz NSELJFHWVRXRJG-CYGHRXIMSA-N 2 1 305.466 2.500 20 30 DEEDMP C[C@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000834997229 649864973 /nfs/dbraw/zinc/86/49/73/649864973.db2.gz ADOZXQHUJUOBEJ-LBPRGKRZSA-N 2 1 314.355 2.313 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001369444874 1148990777 /nfs/dbraw/zinc/99/07/77/1148990777.db2.gz MWKFKWLGBFWPKZ-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001399375190 1161368529 /nfs/dbraw/zinc/36/85/29/1161368529.db2.gz KODNRLUGHYSRGM-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP COc1ccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000262462296 533992851 /nfs/dbraw/zinc/99/28/51/533992851.db2.gz KUTVQXQAMAHLMH-LLVKDONJSA-N 2 1 319.796 2.287 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442779262 526373885 /nfs/dbraw/zinc/37/38/85/526373885.db2.gz LSPYKOUDVQQHJO-KKUMJFAQSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442779262 526373893 /nfs/dbraw/zinc/37/38/93/526373893.db2.gz LSPYKOUDVQQHJO-KKUMJFAQSA-N 2 1 321.490 2.320 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262361842 526394335 /nfs/dbraw/zinc/39/43/35/526394335.db2.gz GYRWMJGNIYVQBQ-LZLYRXPVSA-N 2 1 312.461 2.019 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262361842 526394340 /nfs/dbraw/zinc/39/43/40/526394340.db2.gz GYRWMJGNIYVQBQ-LZLYRXPVSA-N 2 1 312.461 2.019 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264119730 526574955 /nfs/dbraw/zinc/57/49/55/526574955.db2.gz UOWHMZCUTQAURT-CQSZACIVSA-N 2 1 306.479 2.441 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000295017138 526827137 /nfs/dbraw/zinc/82/71/37/526827137.db2.gz NGIHWFGHYUTJDD-SFHVURJKSA-N 2 1 306.425 2.318 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000295017138 526827142 /nfs/dbraw/zinc/82/71/42/526827142.db2.gz NGIHWFGHYUTJDD-SFHVURJKSA-N 2 1 306.425 2.318 20 30 DEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000377656264 527434270 /nfs/dbraw/zinc/43/42/70/527434270.db2.gz RVDMMUDUVNPGRY-FXAWDEMLSA-N 2 1 311.473 2.126 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264143598 527982161 /nfs/dbraw/zinc/98/21/61/527982161.db2.gz XFOOUTKPQGPUAJ-MRXNPFEDSA-N 2 1 318.465 2.489 20 30 DEEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262772088 528805469 /nfs/dbraw/zinc/80/54/69/528805469.db2.gz IYPVSNGVHCLNCK-DZGCQCFKSA-N 2 1 324.538 2.310 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098787 529100137 /nfs/dbraw/zinc/10/01/37/529100137.db2.gz MIOXYRQDKGPKHJ-HNNXBMFYSA-N 2 1 313.449 2.099 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162715 529100559 /nfs/dbraw/zinc/10/05/59/529100559.db2.gz BKZQHPWUEARQQL-JCYILVPMSA-N 2 1 300.450 2.321 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553243 625323557 /nfs/dbraw/zinc/32/35/57/625323557.db2.gz YCYBFYMFJRMHSO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553243 625323558 /nfs/dbraw/zinc/32/35/58/625323558.db2.gz YCYBFYMFJRMHSO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553243 625323560 /nfs/dbraw/zinc/32/35/60/625323560.db2.gz YCYBFYMFJRMHSO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023761790 625427312 /nfs/dbraw/zinc/42/73/12/625427312.db2.gz JJDAJYBPJLUNED-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761790 625427315 /nfs/dbraw/zinc/42/73/15/625427315.db2.gz JJDAJYBPJLUNED-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023761790 625427318 /nfs/dbraw/zinc/42/73/18/625427318.db2.gz JJDAJYBPJLUNED-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833090 622942690 /nfs/dbraw/zinc/94/26/90/622942690.db2.gz LPNGSHFCIHHWDU-MAUKXSAKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529122 623522958 /nfs/dbraw/zinc/52/29/58/623522958.db2.gz MIEPRTGFOSPDHJ-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605246 623822728 /nfs/dbraw/zinc/82/27/28/623822728.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605246 623822738 /nfs/dbraw/zinc/82/27/38/623822738.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605246 623822746 /nfs/dbraw/zinc/82/27/46/623822746.db2.gz LXDSXVIIONAWCT-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437845 624056442 /nfs/dbraw/zinc/05/64/42/624056442.db2.gz TYWBVRUITCYPJB-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474025 624642950 /nfs/dbraw/zinc/64/29/50/624642950.db2.gz PNAUATNSIWBNFU-DZGCQCFKSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239391 625052553 /nfs/dbraw/zinc/05/25/53/625052553.db2.gz YYDITESHPIULKT-ZOBUZTSGSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947546978 625199316 /nfs/dbraw/zinc/19/93/16/625199316.db2.gz MPAXNOKLLNCDLX-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947546978 625199319 /nfs/dbraw/zinc/19/93/19/625199319.db2.gz MPAXNOKLLNCDLX-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947546975 625199550 /nfs/dbraw/zinc/19/95/50/625199550.db2.gz MPAXNOKLLNCDLX-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000947546975 625199551 /nfs/dbraw/zinc/19/95/51/625199551.db2.gz MPAXNOKLLNCDLX-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023363889 625239208 /nfs/dbraw/zinc/23/92/08/625239208.db2.gz DXENGVNAERORBV-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023363889 625239211 /nfs/dbraw/zinc/23/92/11/625239211.db2.gz DXENGVNAERORBV-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693969 634448617 /nfs/dbraw/zinc/44/86/17/634448617.db2.gz OCIXUIWVLZICFM-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999400882 634579672 /nfs/dbraw/zinc/57/96/72/634579672.db2.gz MKCNSQSZPMICST-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000150505 634770323 /nfs/dbraw/zinc/77/03/23/634770323.db2.gz RFHVJJJKVSPSCQ-KRWDZBQOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000160702 634770901 /nfs/dbraw/zinc/77/09/01/634770901.db2.gz JQDSZMVBLHEGLF-NVXWUHKLSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261741 634827431 /nfs/dbraw/zinc/82/74/31/634827431.db2.gz UJLCOSGWCIPMMS-DOTOQJQBSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692569 632923520 /nfs/dbraw/zinc/92/35/20/632923520.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692569 632923528 /nfs/dbraw/zinc/92/35/28/632923528.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024692569 632923531 /nfs/dbraw/zinc/92/35/31/632923531.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024692569 632923533 /nfs/dbraw/zinc/92/35/33/632923533.db2.gz OYFHFPNRIZETPJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598372 633172587 /nfs/dbraw/zinc/17/25/87/633172587.db2.gz HFTFXWRWHPNYOQ-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598372 633172592 /nfs/dbraw/zinc/17/25/92/633172592.db2.gz HFTFXWRWHPNYOQ-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598372 633172595 /nfs/dbraw/zinc/17/25/95/633172595.db2.gz HFTFXWRWHPNYOQ-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974736772 633281208 /nfs/dbraw/zinc/28/12/08/633281208.db2.gz QFZUOLAMRMMSPQ-MRXNPFEDSA-N 2 1 310.401 2.026 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974736772 633281215 /nfs/dbraw/zinc/28/12/15/633281215.db2.gz QFZUOLAMRMMSPQ-MRXNPFEDSA-N 2 1 310.401 2.026 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966760 633379922 /nfs/dbraw/zinc/37/99/22/633379922.db2.gz CQMXTZZMAGYTKB-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966760 633379923 /nfs/dbraw/zinc/37/99/23/633379923.db2.gz CQMXTZZMAGYTKB-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966760 633379929 /nfs/dbraw/zinc/37/99/29/633379929.db2.gz CQMXTZZMAGYTKB-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029389 633400004 /nfs/dbraw/zinc/40/00/04/633400004.db2.gz ANUQVUNUESOHCS-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000975029389 633400006 /nfs/dbraw/zinc/40/00/06/633400006.db2.gz ANUQVUNUESOHCS-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997083487 633569134 /nfs/dbraw/zinc/56/91/34/633569134.db2.gz KZUOTJVRURHDPE-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997333406 633703170 /nfs/dbraw/zinc/70/31/70/633703170.db2.gz LOHZFNHCJYGFQB-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434346 633756378 /nfs/dbraw/zinc/75/63/78/633756378.db2.gz LXMQCGWEMXGVKG-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444017 633794520 /nfs/dbraw/zinc/79/45/20/633794520.db2.gz POQYJAQQKNCXSZ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444017 633794525 /nfs/dbraw/zinc/79/45/25/633794525.db2.gz POQYJAQQKNCXSZ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CC#Cc2ccccc2)C1 ZINC000893489064 633876626 /nfs/dbraw/zinc/87/66/26/633876626.db2.gz XJLBVZQAPQSVRO-OAQYLSRUSA-N 2 1 320.436 2.395 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001027547589 634087934 /nfs/dbraw/zinc/08/79/34/634087934.db2.gz TZPDGCKKXMRGFB-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027547589 634087943 /nfs/dbraw/zinc/08/79/43/634087943.db2.gz TZPDGCKKXMRGFB-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001027547589 634087950 /nfs/dbraw/zinc/08/79/50/634087950.db2.gz TZPDGCKKXMRGFB-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576747 634178742 /nfs/dbraw/zinc/17/87/42/634178742.db2.gz VWBQNQHMVOHIIN-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027576747 634178745 /nfs/dbraw/zinc/17/87/45/634178745.db2.gz VWBQNQHMVOHIIN-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576747 634178750 /nfs/dbraw/zinc/17/87/50/634178750.db2.gz VWBQNQHMVOHIIN-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576747 634178754 /nfs/dbraw/zinc/17/87/54/634178754.db2.gz VWBQNQHMVOHIIN-DZGCQCFKSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027637124 634359757 /nfs/dbraw/zinc/35/97/57/634359757.db2.gz MEVUACUAYCVYSY-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985575 635169025 /nfs/dbraw/zinc/16/90/25/635169025.db2.gz LEOVVMFMFJPQAB-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985575 635169029 /nfs/dbraw/zinc/16/90/29/635169029.db2.gz LEOVVMFMFJPQAB-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474237 635514585 /nfs/dbraw/zinc/51/45/85/635514585.db2.gz VTMJPZWGLSRKNE-SFHVURJKSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001001539608 635525252 /nfs/dbraw/zinc/52/52/52/635525252.db2.gz NQGAOYQTURDREU-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812183 635666788 /nfs/dbraw/zinc/66/67/88/635666788.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812183 635666791 /nfs/dbraw/zinc/66/67/91/635666791.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812183 635666795 /nfs/dbraw/zinc/66/67/95/635666795.db2.gz ILZOEULXQUVPFO-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001028130827 635677041 /nfs/dbraw/zinc/67/70/41/635677041.db2.gz WOWYTJCTRYKTCZ-HUUCEWRRSA-N 2 1 316.449 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002791975 635798662 /nfs/dbraw/zinc/79/86/62/635798662.db2.gz LANRFJNBVFPHAO-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001002956694 635860301 /nfs/dbraw/zinc/86/03/01/635860301.db2.gz ZVEDIFBWUBYRPL-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001002956694 635860308 /nfs/dbraw/zinc/86/03/08/635860308.db2.gz ZVEDIFBWUBYRPL-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221203 635912092 /nfs/dbraw/zinc/91/20/92/635912092.db2.gz QPUALPYCGYCNOY-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300428 635956763 /nfs/dbraw/zinc/95/67/63/635956763.db2.gz ZIVMQQPSWMRKRC-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300428 635956764 /nfs/dbraw/zinc/95/67/64/635956764.db2.gz ZIVMQQPSWMRKRC-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300428 635956767 /nfs/dbraw/zinc/95/67/67/635956767.db2.gz ZIVMQQPSWMRKRC-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003775965 636051230 /nfs/dbraw/zinc/05/12/30/636051230.db2.gz DCGZYHBFKRQVCG-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774860 636135128 /nfs/dbraw/zinc/13/51/28/636135128.db2.gz HVTZOXKRFAQROU-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595337 636475563 /nfs/dbraw/zinc/47/55/63/636475563.db2.gz XZFRGNACSZGVHW-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595337 636475564 /nfs/dbraw/zinc/47/55/64/636475564.db2.gz XZFRGNACSZGVHW-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982809422 636477614 /nfs/dbraw/zinc/47/76/14/636477614.db2.gz ZPJFFTBJYCKWBR-KDURUIRLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538617 636480877 /nfs/dbraw/zinc/48/08/77/636480877.db2.gz DIFOTLFLMNTQHU-QZTJIDSGSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779933 636647353 /nfs/dbraw/zinc/64/73/53/636647353.db2.gz VTRXSRVXCRGIMM-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005384515 636727781 /nfs/dbraw/zinc/72/77/81/636727781.db2.gz MPUXHZKXKHIKSN-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005496023 636751589 /nfs/dbraw/zinc/75/15/89/636751589.db2.gz IJUWBCOYIMRGSK-INIZCTEOSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742108 637216090 /nfs/dbraw/zinc/21/60/90/637216090.db2.gz GTPJWLJSFOHQEP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000985440534 639410458 /nfs/dbraw/zinc/41/04/58/639410458.db2.gz NPTKBQPSPDUFHY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000985440534 639410462 /nfs/dbraw/zinc/41/04/62/639410462.db2.gz NPTKBQPSPDUFHY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000985440534 639410468 /nfs/dbraw/zinc/41/04/68/639410468.db2.gz NPTKBQPSPDUFHY-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000985746402 639612477 /nfs/dbraw/zinc/61/24/77/639612477.db2.gz LEKKOAJRBNVHCJ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000985746402 639612478 /nfs/dbraw/zinc/61/24/78/639612478.db2.gz LEKKOAJRBNVHCJ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000985746402 639612480 /nfs/dbraw/zinc/61/24/80/639612480.db2.gz LEKKOAJRBNVHCJ-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451752 641011385 /nfs/dbraw/zinc/01/13/85/641011385.db2.gz MVVOZCNPRTUSIM-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989504982 641131419 /nfs/dbraw/zinc/13/14/19/641131419.db2.gz XNNOUIJRMXQLCA-KGLIPLIRSA-N 2 1 324.856 2.338 20 30 DEEDMP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000771755516 641544922 /nfs/dbraw/zinc/54/49/22/641544922.db2.gz DPFPKYQVUHRZIS-KRWDZBQOSA-N 2 1 303.450 2.302 20 30 DEEDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](C)C#N ZINC000775655713 642073992 /nfs/dbraw/zinc/07/39/92/642073992.db2.gz KBLGBGDDUBTNSO-MRXNPFEDSA-N 2 1 300.450 2.420 20 30 DEEDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](C)C#N ZINC000775655713 642073997 /nfs/dbraw/zinc/07/39/97/642073997.db2.gz KBLGBGDDUBTNSO-MRXNPFEDSA-N 2 1 300.450 2.420 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000900139692 642269715 /nfs/dbraw/zinc/26/97/15/642269715.db2.gz BSKXFCCDIAMMLD-MRXNPFEDSA-N 2 1 315.461 2.057 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000900333348 642323731 /nfs/dbraw/zinc/32/37/31/642323731.db2.gz LBDPIVFDORRJMI-UHFFFAOYSA-N 2 1 303.450 2.262 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900605399 642419695 /nfs/dbraw/zinc/41/96/95/642419695.db2.gz KLAGTWPMWBKDNG-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905097736 643799904 /nfs/dbraw/zinc/79/99/04/643799904.db2.gz PRLRVWACQBTAHW-IBGZPJMESA-N 2 1 318.461 2.194 20 30 DEEDMP C[C@H](C#N)OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000801952247 645469456 /nfs/dbraw/zinc/46/94/56/645469456.db2.gz QKAQGXVNPJZGRJ-CQSZACIVSA-N 2 1 302.422 2.327 20 30 DEEDMP C=C(C)CNC(NC[C@@H]1CCC[N@@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912499565 646087752 /nfs/dbraw/zinc/08/77/52/646087752.db2.gz RMYDCOOETUFUAW-HNNXBMFYSA-N 2 1 310.486 2.007 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991866048 646676156 /nfs/dbraw/zinc/67/61/56/646676156.db2.gz ZFXPDDWQTOUYDE-PKOBYXMFSA-N 2 1 322.412 2.084 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCCN3C)CCC[C@@H]12 ZINC000992111777 646855715 /nfs/dbraw/zinc/85/57/15/646855715.db2.gz MBPDEMZNBDMTBW-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000992111777 646855720 /nfs/dbraw/zinc/85/57/20/646855720.db2.gz MBPDEMZNBDMTBW-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000992111777 646855723 /nfs/dbraw/zinc/85/57/23/646855723.db2.gz MBPDEMZNBDMTBW-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992111777 646855727 /nfs/dbraw/zinc/85/57/27/646855727.db2.gz MBPDEMZNBDMTBW-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000992111777 646855730 /nfs/dbraw/zinc/85/57/30/646855730.db2.gz MBPDEMZNBDMTBW-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121388 646859930 /nfs/dbraw/zinc/85/99/30/646859930.db2.gz DCHIGRZLRVUEBO-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121388 646859932 /nfs/dbraw/zinc/85/99/32/646859932.db2.gz DCHIGRZLRVUEBO-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121388 646859937 /nfs/dbraw/zinc/85/99/37/646859937.db2.gz DCHIGRZLRVUEBO-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282908 646927355 /nfs/dbraw/zinc/92/73/55/646927355.db2.gz JLQSFMRMBNFKOC-SJLPKXTDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992359594 646958034 /nfs/dbraw/zinc/95/80/34/646958034.db2.gz GEEZTWFCZZURDA-WMZOPIPTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992359594 646958040 /nfs/dbraw/zinc/95/80/40/646958040.db2.gz GEEZTWFCZZURDA-WMZOPIPTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993358117 647626110 /nfs/dbraw/zinc/62/61/10/647626110.db2.gz YOEFKZURLHXHHI-GDBMZVCRSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCN1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993358117 647626112 /nfs/dbraw/zinc/62/61/12/647626112.db2.gz YOEFKZURLHXHHI-GDBMZVCRSA-N 2 1 312.417 2.411 20 30 DEEDMP C#CCN1CCC[C@H](NC(=O)c2sccc2CN(C)C)[C@H]1C ZINC000993399353 647649144 /nfs/dbraw/zinc/64/91/44/647649144.db2.gz SSQMEONJHXOFQI-HIFRSBDPSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993487077 647685531 /nfs/dbraw/zinc/68/55/31/647685531.db2.gz FHQNCIILCWRWGH-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993618856 647708073 /nfs/dbraw/zinc/70/80/73/647708073.db2.gz VPNSFEVQLHGCFH-WMLDXEAASA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994057651 647782981 /nfs/dbraw/zinc/78/29/81/647782981.db2.gz RFMSKCPTQNKJNQ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994781 648980198 /nfs/dbraw/zinc/98/01/98/648980198.db2.gz YXAWNNLCLZXSJP-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257189 649191993 /nfs/dbraw/zinc/19/19/93/649191993.db2.gz KYQWVCIRAVEAFQ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCC)CC1 ZINC000948448951 649229169 /nfs/dbraw/zinc/22/91/69/649229169.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC000948448951 649229170 /nfs/dbraw/zinc/22/91/70/649229170.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCC)CC1 ZINC000948448951 649229172 /nfs/dbraw/zinc/22/91/72/649229172.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCC)CC1 ZINC000948448951 649229173 /nfs/dbraw/zinc/22/91/73/649229173.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCC)CC1 ZINC000948448951 649229175 /nfs/dbraw/zinc/22/91/75/649229175.db2.gz LZAIBARNKBCJQS-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517945 649231457 /nfs/dbraw/zinc/23/14/57/649231457.db2.gz JMAUFTUPSNAWNV-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287173 649358544 /nfs/dbraw/zinc/35/85/44/649358544.db2.gz IVKKHPVSWVLRRJ-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108428858 651630885 /nfs/dbraw/zinc/63/08/85/651630885.db2.gz CKQGVIBCIRDIGD-KRWDZBQOSA-N 2 1 300.450 2.468 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001391360694 1156357439 /nfs/dbraw/zinc/35/74/39/1156357439.db2.gz LBBULKIVPZSEDH-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001391360694 1156357446 /nfs/dbraw/zinc/35/74/46/1156357446.db2.gz LBBULKIVPZSEDH-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001391360694 1156357451 /nfs/dbraw/zinc/35/74/51/1156357451.db2.gz LBBULKIVPZSEDH-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C[C@@H](CCNC(=[NH2+])N1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000304478377 685255491 /nfs/dbraw/zinc/25/54/91/685255491.db2.gz HOLQHTVEPWJADY-HNNXBMFYSA-N 2 1 320.506 2.261 20 30 DEEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000104178425 684058944 /nfs/dbraw/zinc/05/89/44/684058944.db2.gz HJDBTLQSNMRPNZ-UHFFFAOYSA-N 2 1 306.479 2.002 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241206 693896485 /nfs/dbraw/zinc/89/64/85/693896485.db2.gz MWOBKCCWYXQURP-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241206 693896492 /nfs/dbraw/zinc/89/64/92/693896492.db2.gz MWOBKCCWYXQURP-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000303880301 685237797 /nfs/dbraw/zinc/23/77/97/685237797.db2.gz HCJZYORYYZUHIW-HOTGVXAUSA-N 2 1 302.466 2.254 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893641 685239218 /nfs/dbraw/zinc/23/92/18/685239218.db2.gz SARWZGGIVXSJDJ-AWEZNQCLSA-N 2 1 300.406 2.321 20 30 DEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975223 685241356 /nfs/dbraw/zinc/24/13/56/685241356.db2.gz IVVRMNRGHPWFGB-LBPRGKRZSA-N 2 1 308.426 2.161 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000929779544 694026729 /nfs/dbraw/zinc/02/67/29/694026729.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000929779544 694026733 /nfs/dbraw/zinc/02/67/33/694026733.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000929779544 694026737 /nfs/dbraw/zinc/02/67/37/694026737.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000929779544 694026742 /nfs/dbraw/zinc/02/67/42/694026742.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000929779544 694026745 /nfs/dbraw/zinc/02/67/45/694026745.db2.gz BFCLDBUSKGWOMQ-YJBOKZPZSA-N 2 1 313.445 2.411 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654256 687675829 /nfs/dbraw/zinc/67/58/29/687675829.db2.gz FHHSEYDLCFXSOH-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016931964 687736380 /nfs/dbraw/zinc/73/63/80/687736380.db2.gz ZFHLVXGCKUGULX-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851849 688243779 /nfs/dbraw/zinc/24/37/79/688243779.db2.gz WFZJVMXSLWDKHR-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000930556128 694188730 /nfs/dbraw/zinc/18/87/30/694188730.db2.gz SECZEENCLOXQDZ-LJQANCHMSA-N 2 1 311.429 2.024 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000930556128 694188732 /nfs/dbraw/zinc/18/87/32/694188732.db2.gz SECZEENCLOXQDZ-LJQANCHMSA-N 2 1 311.429 2.024 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000930556128 694188736 /nfs/dbraw/zinc/18/87/36/694188736.db2.gz SECZEENCLOXQDZ-LJQANCHMSA-N 2 1 311.429 2.024 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001032520974 689175562 /nfs/dbraw/zinc/17/55/62/689175562.db2.gz PDYBKGDPJONFMG-IRXDYDNUSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034394578 689833262 /nfs/dbraw/zinc/83/32/62/689833262.db2.gz PJTGJBIYELLQNX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034394578 689833264 /nfs/dbraw/zinc/83/32/64/689833264.db2.gz PJTGJBIYELLQNX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034394578 689833267 /nfs/dbraw/zinc/83/32/67/689833267.db2.gz PJTGJBIYELLQNX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034436712 689849778 /nfs/dbraw/zinc/84/97/78/689849778.db2.gz BETULQFOZQIIIK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642546 689917284 /nfs/dbraw/zinc/91/72/84/689917284.db2.gz HCCCGNFFDQRSKP-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001034748337 689939810 /nfs/dbraw/zinc/93/98/10/689939810.db2.gz BBXSOMYZXSGCNL-SHTZXODSSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000876876703 689961609 /nfs/dbraw/zinc/96/16/09/689961609.db2.gz IWDXPMCSBSRGGK-CQSZACIVSA-N 2 1 301.862 2.179 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035196580 690056467 /nfs/dbraw/zinc/05/64/67/690056467.db2.gz PDWFWDHFCBDZMU-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833223 690491914 /nfs/dbraw/zinc/49/19/14/690491914.db2.gz QBWPVRAHSQQCQN-CVEARBPZSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036833223 690491917 /nfs/dbraw/zinc/49/19/17/690491917.db2.gz QBWPVRAHSQQCQN-CVEARBPZSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038250094 690758004 /nfs/dbraw/zinc/75/80/04/690758004.db2.gz YKBBFDAFJSNNSS-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038250094 690758008 /nfs/dbraw/zinc/75/80/08/690758008.db2.gz YKBBFDAFJSNNSS-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250094 690758009 /nfs/dbraw/zinc/75/80/09/690758009.db2.gz YKBBFDAFJSNNSS-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001038818049 690932990 /nfs/dbraw/zinc/93/29/90/690932990.db2.gz KVLAXOQSXSQVFM-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038908878 690963431 /nfs/dbraw/zinc/96/34/31/690963431.db2.gz NVXZQGLGBTYUCL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038908878 690963433 /nfs/dbraw/zinc/96/34/33/690963433.db2.gz NVXZQGLGBTYUCL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038908878 690963434 /nfs/dbraw/zinc/96/34/34/690963434.db2.gz NVXZQGLGBTYUCL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040208687 691213499 /nfs/dbraw/zinc/21/34/99/691213499.db2.gz BDWHRAFVMQETTL-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040208687 691213501 /nfs/dbraw/zinc/21/35/01/691213501.db2.gz BDWHRAFVMQETTL-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040208687 691213502 /nfs/dbraw/zinc/21/35/02/691213502.db2.gz BDWHRAFVMQETTL-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041297103 691357765 /nfs/dbraw/zinc/35/77/65/691357765.db2.gz MIRVWMPKQASABP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297103 691357766 /nfs/dbraw/zinc/35/77/66/691357766.db2.gz MIRVWMPKQASABP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297103 691357771 /nfs/dbraw/zinc/35/77/71/691357771.db2.gz MIRVWMPKQASABP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644466 691405035 /nfs/dbraw/zinc/40/50/35/691405035.db2.gz CVDLGYCPAVOTEI-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042157595 691525249 /nfs/dbraw/zinc/52/52/49/691525249.db2.gz SIRZHXMQWKHEJL-YOEHRIQHSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216152 691538194 /nfs/dbraw/zinc/53/81/94/691538194.db2.gz MKXDCZLDRTWVRK-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254197 691549687 /nfs/dbraw/zinc/54/96/87/691549687.db2.gz IXEXKPDMRKXDOL-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042254198 691549802 /nfs/dbraw/zinc/54/98/02/691549802.db2.gz IXEXKPDMRKXDOL-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288889 691558207 /nfs/dbraw/zinc/55/82/07/691558207.db2.gz WIZWOEZZGPJEKH-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001044332542 691807250 /nfs/dbraw/zinc/80/72/50/691807250.db2.gz HJTOELVSSQXCCS-UHFFFAOYSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045462180 691984643 /nfs/dbraw/zinc/98/46/43/691984643.db2.gz ZOBSGTHSOWHULU-OAHLLOKOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046315236 692149036 /nfs/dbraw/zinc/14/90/36/692149036.db2.gz IJIOZXWHHJNBDN-FUHWJXTLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369131 692168211 /nfs/dbraw/zinc/16/82/11/692168211.db2.gz POROFRDAGIQUHM-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369131 692168213 /nfs/dbraw/zinc/16/82/13/692168213.db2.gz POROFRDAGIQUHM-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369131 692168215 /nfs/dbraw/zinc/16/82/15/692168215.db2.gz POROFRDAGIQUHM-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048531781 692641395 /nfs/dbraw/zinc/64/13/95/692641395.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531781 692641397 /nfs/dbraw/zinc/64/13/97/692641397.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531781 692641399 /nfs/dbraw/zinc/64/13/99/692641399.db2.gz DDGLZXHXBQACNL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538209 692641764 /nfs/dbraw/zinc/64/17/64/692641764.db2.gz MGRZLILDSSHZOE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538209 692641768 /nfs/dbraw/zinc/64/17/68/692641768.db2.gz MGRZLILDSSHZOE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538209 692641769 /nfs/dbraw/zinc/64/17/69/692641769.db2.gz MGRZLILDSSHZOE-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048584759 692653795 /nfs/dbraw/zinc/65/37/95/692653795.db2.gz ABKJUTSOYLDNRZ-ZMMAXQRCSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001048584759 692653798 /nfs/dbraw/zinc/65/37/98/692653798.db2.gz ABKJUTSOYLDNRZ-ZMMAXQRCSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001048584759 692653801 /nfs/dbraw/zinc/65/38/01/692653801.db2.gz ABKJUTSOYLDNRZ-ZMMAXQRCSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671195 692961279 /nfs/dbraw/zinc/96/12/79/692961279.db2.gz IZAREKSUMCOUDJ-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671195 692961280 /nfs/dbraw/zinc/96/12/80/692961280.db2.gz IZAREKSUMCOUDJ-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671195 692961283 /nfs/dbraw/zinc/96/12/83/692961283.db2.gz IZAREKSUMCOUDJ-XSLAGTTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049719844 692974558 /nfs/dbraw/zinc/97/45/58/692974558.db2.gz UIOMYZFTRCGXMT-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049719844 692974563 /nfs/dbraw/zinc/97/45/63/692974563.db2.gz UIOMYZFTRCGXMT-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049719844 692974565 /nfs/dbraw/zinc/97/45/65/692974565.db2.gz UIOMYZFTRCGXMT-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664652 693227289 /nfs/dbraw/zinc/22/72/89/693227289.db2.gz PJAMVQCFOHAGPQ-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378175 693518841 /nfs/dbraw/zinc/51/88/41/693518841.db2.gz SQYQBBMPUGKPMP-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001052393495 693523408 /nfs/dbraw/zinc/52/34/08/693523408.db2.gz MCULXAJHBCNTEP-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393495 693523412 /nfs/dbraw/zinc/52/34/12/693523412.db2.gz MCULXAJHBCNTEP-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001052393495 693523417 /nfs/dbraw/zinc/52/34/17/693523417.db2.gz MCULXAJHBCNTEP-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487482 693545827 /nfs/dbraw/zinc/54/58/27/693545827.db2.gz YTZITECNYYGGPT-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619880 693580526 /nfs/dbraw/zinc/58/05/26/693580526.db2.gz JXYSKVWMIONBBR-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651856 693589354 /nfs/dbraw/zinc/58/93/54/693589354.db2.gz NVIFSNOHCRUWQY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651856 693589355 /nfs/dbraw/zinc/58/93/55/693589355.db2.gz NVIFSNOHCRUWQY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651856 693589358 /nfs/dbraw/zinc/58/93/58/693589358.db2.gz NVIFSNOHCRUWQY-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001381022391 1152893931 /nfs/dbraw/zinc/89/39/31/1152893931.db2.gz RQUBDVZAZSUBAB-UHFFFAOYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001373961282 1157498930 /nfs/dbraw/zinc/49/89/30/1157498930.db2.gz YOUMMEXCHPUHKR-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001399286228 1161320568 /nfs/dbraw/zinc/32/05/68/1161320568.db2.gz RKOTWVLSURVBGM-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001399286228 1161320577 /nfs/dbraw/zinc/32/05/77/1161320577.db2.gz RKOTWVLSURVBGM-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001399286228 1161320583 /nfs/dbraw/zinc/32/05/83/1161320583.db2.gz RKOTWVLSURVBGM-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001399286228 1161320591 /nfs/dbraw/zinc/32/05/91/1161320591.db2.gz RKOTWVLSURVBGM-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001424210718 1173701765 /nfs/dbraw/zinc/70/17/65/1173701765.db2.gz LPWLNRSJFCYGEH-OKILXGFUSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001437096157 1179401161 /nfs/dbraw/zinc/40/11/61/1179401161.db2.gz WKZCYEXQAQLTSL-UHFFFAOYSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)CN(C)CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001438940979 1180859112 /nfs/dbraw/zinc/85/91/12/1180859112.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 1 323.868 2.261 20 30 DEEDMP C=C(Cl)CN(C)CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001438940979 1180859115 /nfs/dbraw/zinc/85/91/15/1180859115.db2.gz QKCHODBTVKVWJC-UHFFFAOYSA-N 2 1 323.868 2.261 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001442818625 1182726581 /nfs/dbraw/zinc/72/65/81/1182726581.db2.gz GWAAVRCJFSUBJL-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001442818625 1182726585 /nfs/dbraw/zinc/72/65/85/1182726585.db2.gz GWAAVRCJFSUBJL-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842516 1182741870 /nfs/dbraw/zinc/74/18/70/1182741870.db2.gz HGYRBMLKVDXBMY-OAHLLOKOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842516 1182741877 /nfs/dbraw/zinc/74/18/77/1182741877.db2.gz HGYRBMLKVDXBMY-OAHLLOKOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850502 790273163 /nfs/dbraw/zinc/27/31/63/790273163.db2.gz ZWRGCEQQFYWAAJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850502 790273169 /nfs/dbraw/zinc/27/31/69/790273169.db2.gz ZWRGCEQQFYWAAJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072850502 790273171 /nfs/dbraw/zinc/27/31/71/790273171.db2.gz ZWRGCEQQFYWAAJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001332720619 1149884113 /nfs/dbraw/zinc/88/41/13/1149884113.db2.gz UBTDVMYNOSDVOM-UHFFFAOYSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234370 782788596 /nfs/dbraw/zinc/78/85/96/782788596.db2.gz IUKMJZYCOZIUFF-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234370 782788601 /nfs/dbraw/zinc/78/86/01/782788601.db2.gz IUKMJZYCOZIUFF-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001099234370 782788605 /nfs/dbraw/zinc/78/86/05/782788605.db2.gz IUKMJZYCOZIUFF-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106763798 782923714 /nfs/dbraw/zinc/92/37/14/782923714.db2.gz SXHRUFWIBPCWDB-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073098550 790451769 /nfs/dbraw/zinc/45/17/69/790451769.db2.gz GBPRMJWDIQUSMJ-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573138 777917618 /nfs/dbraw/zinc/91/76/18/777917618.db2.gz JAYAEJHBQMNYAO-KURKYZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105017131 778299336 /nfs/dbraw/zinc/29/93/36/778299336.db2.gz QSEUMAGJVIPKQV-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573806 779358284 /nfs/dbraw/zinc/35/82/84/779358284.db2.gz FWCXHBWZENEZAT-FGTMMUONSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396990 779738668 /nfs/dbraw/zinc/73/86/68/779738668.db2.gz UUFWWJJLQCZTRG-AOIWGVFYSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616525 783282406 /nfs/dbraw/zinc/28/24/06/783282406.db2.gz JHZSJWDVAVTKHV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616525 783282410 /nfs/dbraw/zinc/28/24/10/783282410.db2.gz JHZSJWDVAVTKHV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616525 783282419 /nfs/dbraw/zinc/28/24/19/783282419.db2.gz JHZSJWDVAVTKHV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171196291 790938969 /nfs/dbraw/zinc/93/89/69/790938969.db2.gz XXYZHPHFBAITCC-OAHLLOKOSA-N 2 1 301.434 2.190 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085352414 783647079 /nfs/dbraw/zinc/64/70/79/783647079.db2.gz GNMFAJBKSPKFBX-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085352415 783648712 /nfs/dbraw/zinc/64/87/12/783648712.db2.gz GNMFAJBKSPKFBX-ZACQAIPSSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085629051 783904409 /nfs/dbraw/zinc/90/44/09/783904409.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085629051 783904407 /nfs/dbraw/zinc/90/44/07/783904407.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001085629051 783904413 /nfs/dbraw/zinc/90/44/13/783904413.db2.gz KRVKCCNSHSYSKC-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639221 783915736 /nfs/dbraw/zinc/91/57/36/783915736.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639221 783915743 /nfs/dbraw/zinc/91/57/43/783915743.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639221 783915751 /nfs/dbraw/zinc/91/57/51/783915751.db2.gz KVEIOCANFYTRJC-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724467 784020146 /nfs/dbraw/zinc/02/01/46/784020146.db2.gz WSARGVAFDBHKLQ-KRWDZBQOSA-N 2 1 312.417 2.447 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855779 784621104 /nfs/dbraw/zinc/62/11/04/784621104.db2.gz AHHZILIVDMBILG-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855779 784621110 /nfs/dbraw/zinc/62/11/10/784621110.db2.gz AHHZILIVDMBILG-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855819 784621447 /nfs/dbraw/zinc/62/14/47/784621447.db2.gz AQIYTSONVZAWCD-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855819 784621450 /nfs/dbraw/zinc/62/14/50/784621450.db2.gz AQIYTSONVZAWCD-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882749 784636735 /nfs/dbraw/zinc/63/67/35/784636735.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882749 784636739 /nfs/dbraw/zinc/63/67/39/784636739.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882749 784636742 /nfs/dbraw/zinc/63/67/42/784636742.db2.gz TYSOAXHPPYNLHO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887278 784637392 /nfs/dbraw/zinc/63/73/92/784637392.db2.gz ADHWJNFXCKFTIZ-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887278 784637397 /nfs/dbraw/zinc/63/73/97/784637397.db2.gz ADHWJNFXCKFTIZ-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928582 784657251 /nfs/dbraw/zinc/65/72/51/784657251.db2.gz OYHHSSVDPDCXCV-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928582 784657257 /nfs/dbraw/zinc/65/72/57/784657257.db2.gz OYHHSSVDPDCXCV-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928582 784657266 /nfs/dbraw/zinc/65/72/66/784657266.db2.gz OYHHSSVDPDCXCV-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086413560 784692369 /nfs/dbraw/zinc/69/23/69/784692369.db2.gz MMVDKIURUHHPOQ-ULQDDVLXSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007498322 784937708 /nfs/dbraw/zinc/93/77/08/784937708.db2.gz ZVTOJGFGLUOZTD-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498322 784937714 /nfs/dbraw/zinc/93/77/14/784937714.db2.gz ZVTOJGFGLUOZTD-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498322 784937716 /nfs/dbraw/zinc/93/77/16/784937716.db2.gz ZVTOJGFGLUOZTD-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054479 785091112 /nfs/dbraw/zinc/09/11/12/785091112.db2.gz ZFANVTZGQKJEHW-KRWDZBQOSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008767701 785298473 /nfs/dbraw/zinc/29/84/73/785298473.db2.gz KIKMSRRQUIXJCP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767701 785298479 /nfs/dbraw/zinc/29/84/79/785298479.db2.gz KIKMSRRQUIXJCP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767701 785298486 /nfs/dbraw/zinc/29/84/86/785298486.db2.gz KIKMSRRQUIXJCP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307287 785796719 /nfs/dbraw/zinc/79/67/19/785796719.db2.gz DGAWZAMCEFVWOV-FZKCQIBNSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307287 785796727 /nfs/dbraw/zinc/79/67/27/785796727.db2.gz DGAWZAMCEFVWOV-FZKCQIBNSA-N 2 1 316.449 2.304 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586053 786164167 /nfs/dbraw/zinc/16/41/67/786164167.db2.gz FGPMBEBMGMLNFE-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101220 787134989 /nfs/dbraw/zinc/13/49/89/787134989.db2.gz FNOVQQOCNZTZGM-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101220 787134993 /nfs/dbraw/zinc/13/49/93/787134993.db2.gz FNOVQQOCNZTZGM-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101220 787134998 /nfs/dbraw/zinc/13/49/98/787134998.db2.gz FNOVQQOCNZTZGM-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129770394 787246620 /nfs/dbraw/zinc/24/66/20/787246620.db2.gz FSMYSKDZKCRQMF-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)(C)CC1 ZINC001129770394 787246626 /nfs/dbraw/zinc/24/66/26/787246626.db2.gz FSMYSKDZKCRQMF-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096308871 787606926 /nfs/dbraw/zinc/60/69/26/787606926.db2.gz BOALLSQFCUFXEQ-SQNIBIBYSA-N 2 1 317.477 2.016 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141023 787946841 /nfs/dbraw/zinc/94/68/41/787946841.db2.gz OBNWCLUBYSWGHZ-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141023 787946844 /nfs/dbraw/zinc/94/68/44/787946844.db2.gz OBNWCLUBYSWGHZ-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141023 787946850 /nfs/dbraw/zinc/94/68/50/787946850.db2.gz OBNWCLUBYSWGHZ-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141023 787946855 /nfs/dbraw/zinc/94/68/55/787946855.db2.gz OBNWCLUBYSWGHZ-HOTGVXAUSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210587 787965131 /nfs/dbraw/zinc/96/51/31/787965131.db2.gz IGQZGBDGOYGNCQ-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524507 788114339 /nfs/dbraw/zinc/11/43/39/788114339.db2.gz IEPJJABKMHEOQV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097695291 788183076 /nfs/dbraw/zinc/18/30/76/788183076.db2.gz VVTXBKYAGCUDJZ-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097695291 788183079 /nfs/dbraw/zinc/18/30/79/788183079.db2.gz VVTXBKYAGCUDJZ-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097695291 788183084 /nfs/dbraw/zinc/18/30/84/788183084.db2.gz VVTXBKYAGCUDJZ-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121290 788288149 /nfs/dbraw/zinc/28/81/49/788288149.db2.gz GBHOMZNMPVSPTR-IRXDYDNUSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723425 789049250 /nfs/dbraw/zinc/04/92/50/789049250.db2.gz IHWWMTKNZPVYNK-HNNXBMFYSA-N 2 1 306.454 2.457 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723426 789050799 /nfs/dbraw/zinc/05/07/99/789050799.db2.gz IHWWMTKNZPVYNK-OAHLLOKOSA-N 2 1 306.454 2.457 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135019804 789166344 /nfs/dbraw/zinc/16/63/44/789166344.db2.gz CRUKNCGUGQDTOQ-HUUCEWRRSA-N 2 1 318.465 2.211 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135019803 789167096 /nfs/dbraw/zinc/16/70/96/789167096.db2.gz CRUKNCGUGQDTOQ-GJZGRUSLSA-N 2 1 318.465 2.211 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170784776 789168555 /nfs/dbraw/zinc/16/85/55/789168555.db2.gz LCEVNWJYPPLMOV-HNNXBMFYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135103179 789199669 /nfs/dbraw/zinc/19/96/69/789199669.db2.gz XJZNNYKNFOUHGE-IRXDYDNUSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735528 789897008 /nfs/dbraw/zinc/89/70/08/789897008.db2.gz NMVHREUMOFFNDJ-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985454 791666813 /nfs/dbraw/zinc/66/68/13/791666813.db2.gz HPAHAWIVTTZFCY-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171327780 791721251 /nfs/dbraw/zinc/72/12/51/791721251.db2.gz DPVRHFRPTMBTRT-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737939 791784232 /nfs/dbraw/zinc/78/42/32/791784232.db2.gz KVXPXSCAMGXUML-AOIWGVFYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742712 791790437 /nfs/dbraw/zinc/79/04/37/791790437.db2.gz GDOTULONEFUDLX-APWZRJJASA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941777 791857136 /nfs/dbraw/zinc/85/71/36/791857136.db2.gz BGESGKNTWOHDEK-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058869 792068223 /nfs/dbraw/zinc/06/82/23/792068223.db2.gz OSXOQJAJNUSJJJ-YJBOKZPZSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058869 792068234 /nfs/dbraw/zinc/06/82/34/792068234.db2.gz OSXOQJAJNUSJJJ-YJBOKZPZSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658366 792103971 /nfs/dbraw/zinc/10/39/71/792103971.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658366 792103975 /nfs/dbraw/zinc/10/39/75/792103975.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658366 792103978 /nfs/dbraw/zinc/10/39/78/792103978.db2.gz RICZVDYHIIYTEZ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658091 792104457 /nfs/dbraw/zinc/10/44/57/792104457.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658091 792104462 /nfs/dbraw/zinc/10/44/62/792104462.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658091 792104470 /nfs/dbraw/zinc/10/44/70/792104470.db2.gz HDEGIBXQTCKORQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467879 792111735 /nfs/dbraw/zinc/11/17/35/792111735.db2.gz ZOUUNJAVCXSEQQ-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140358 792112622 /nfs/dbraw/zinc/11/26/22/792112622.db2.gz WYMPRTFZBBWZFL-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140358 792112625 /nfs/dbraw/zinc/11/26/25/792112625.db2.gz WYMPRTFZBBWZFL-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906990 792168505 /nfs/dbraw/zinc/16/85/05/792168505.db2.gz OPEGEFVFKGMZJK-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906990 792168512 /nfs/dbraw/zinc/16/85/12/792168512.db2.gz OPEGEFVFKGMZJK-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906990 792168517 /nfs/dbraw/zinc/16/85/17/792168517.db2.gz OPEGEFVFKGMZJK-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100408203 792634169 /nfs/dbraw/zinc/63/41/69/792634169.db2.gz YFYGGJZQVJMRAS-UYSNPLJNSA-N 2 1 316.449 2.211 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342928 793129269 /nfs/dbraw/zinc/12/92/69/793129269.db2.gz VCQNMWBYMXEQFO-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3ncc[nH]3)C[C@]2(C)C1 ZINC001101403630 793145059 /nfs/dbraw/zinc/14/50/59/793145059.db2.gz OCACWQJUBSOJOT-RKVPGOIHSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102090837 793501821 /nfs/dbraw/zinc/50/18/21/793501821.db2.gz GZKDDJPECHGJLQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102090837 793501827 /nfs/dbraw/zinc/50/18/27/793501827.db2.gz GZKDDJPECHGJLQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102090837 793501829 /nfs/dbraw/zinc/50/18/29/793501829.db2.gz GZKDDJPECHGJLQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467651 793624398 /nfs/dbraw/zinc/62/43/98/793624398.db2.gz RJPOTBNXPVBOKA-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467651 793624402 /nfs/dbraw/zinc/62/44/02/793624402.db2.gz RJPOTBNXPVBOKA-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578220 793661971 /nfs/dbraw/zinc/66/19/71/793661971.db2.gz QXKDSTFLPIIJRN-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578220 793661978 /nfs/dbraw/zinc/66/19/78/793661978.db2.gz QXKDSTFLPIIJRN-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578220 793661982 /nfs/dbraw/zinc/66/19/82/793661982.db2.gz QXKDSTFLPIIJRN-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085038 793934818 /nfs/dbraw/zinc/93/48/18/793934818.db2.gz BKOAWDBKHNSYRM-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085038 793934822 /nfs/dbraw/zinc/93/48/22/793934822.db2.gz BKOAWDBKHNSYRM-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483861 794111300 /nfs/dbraw/zinc/11/13/00/794111300.db2.gz TZIQCNWSGQRWBO-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483861 794111306 /nfs/dbraw/zinc/11/13/06/794111306.db2.gz TZIQCNWSGQRWBO-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598225 794156133 /nfs/dbraw/zinc/15/61/33/794156133.db2.gz ABUZJVCUKLPXGX-SJLPKXTDSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004589 794542750 /nfs/dbraw/zinc/54/27/50/794542750.db2.gz KIHLJHUVONVUTD-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112380465 794617490 /nfs/dbraw/zinc/61/74/90/794617490.db2.gz JEJCBWMYYOPWIH-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611540 794841453 /nfs/dbraw/zinc/84/14/53/794841453.db2.gz MPBWMPJOISLKPM-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730730 794899705 /nfs/dbraw/zinc/89/97/05/794899705.db2.gz RAHWCOBFTAYJFY-UHFFFAOYSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698564 794981057 /nfs/dbraw/zinc/98/10/57/794981057.db2.gz LYIDOQAKNBAJIQ-INIZCTEOSA-N 2 1 316.449 2.050 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878381 795018004 /nfs/dbraw/zinc/01/80/04/795018004.db2.gz SLUYRHVZLYPHPH-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440631 795460660 /nfs/dbraw/zinc/46/06/60/795460660.db2.gz QBVBEGJRMOQQCW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440631 795460663 /nfs/dbraw/zinc/46/06/63/795460663.db2.gz QBVBEGJRMOQQCW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440631 795460667 /nfs/dbraw/zinc/46/06/67/795460667.db2.gz QBVBEGJRMOQQCW-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671483 795518131 /nfs/dbraw/zinc/51/81/31/795518131.db2.gz OLZYLQAOHMJXLH-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001181977610 795570783 /nfs/dbraw/zinc/57/07/83/795570783.db2.gz XRYIZHOCYVOAJI-ZIFCJYIRSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121768078 795685179 /nfs/dbraw/zinc/68/51/79/795685179.db2.gz YOLHOXQQWPIAMD-KZIPQDEESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001121991569 795714168 /nfs/dbraw/zinc/71/41/68/795714168.db2.gz UKJAFYZWBUTXDC-MRXNPFEDSA-N 2 1 321.490 2.118 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001183076032 795795424 /nfs/dbraw/zinc/79/54/24/795795424.db2.gz NTIQEBJPQHLWIF-MRXNPFEDSA-N 2 1 315.417 2.022 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577884 796087099 /nfs/dbraw/zinc/08/70/99/796087099.db2.gz QAODRMKOCOXLMI-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185549641 796280461 /nfs/dbraw/zinc/28/04/61/796280461.db2.gz QTLCDHDAYPPEHT-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185549643 796280490 /nfs/dbraw/zinc/28/04/90/796280490.db2.gz QTLCDHDAYPPEHT-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185535432 796286642 /nfs/dbraw/zinc/28/66/42/796286642.db2.gz DRTQTNIOZHVDFZ-ZFWWWQNUSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082722 796357293 /nfs/dbraw/zinc/35/72/93/796357293.db2.gz NVOWFTAQPSOXJB-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202946856 796395280 /nfs/dbraw/zinc/39/52/80/796395280.db2.gz BMCJUGDXVYROJT-UHFFFAOYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443947 796997766 /nfs/dbraw/zinc/99/77/66/796997766.db2.gz LXVYOJFMXAWWDC-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190646140 797047513 /nfs/dbraw/zinc/04/75/13/797047513.db2.gz XWRBNEPWLXAMIV-JKSUJKDBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742183 797066263 /nfs/dbraw/zinc/06/62/63/797066263.db2.gz BNAZBMNSBNMIOF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190742183 797066267 /nfs/dbraw/zinc/06/62/67/797066267.db2.gz BNAZBMNSBNMIOF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190742183 797066273 /nfs/dbraw/zinc/06/62/73/797066273.db2.gz BNAZBMNSBNMIOF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080607 797134297 /nfs/dbraw/zinc/13/42/97/797134297.db2.gz JQHHDHZFJUIQGN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080607 797134300 /nfs/dbraw/zinc/13/43/00/797134300.db2.gz JQHHDHZFJUIQGN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080607 797134305 /nfs/dbraw/zinc/13/43/05/797134305.db2.gz JQHHDHZFJUIQGN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923258 797285644 /nfs/dbraw/zinc/28/56/44/797285644.db2.gz RUXLIRQIBHGJLT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923258 797285646 /nfs/dbraw/zinc/28/56/46/797285646.db2.gz RUXLIRQIBHGJLT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923258 797285647 /nfs/dbraw/zinc/28/56/47/797285647.db2.gz RUXLIRQIBHGJLT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134231 797325171 /nfs/dbraw/zinc/32/51/71/797325171.db2.gz HVKMOFCJYCPVPB-WBVHZDCISA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677422 797375337 /nfs/dbraw/zinc/37/53/37/797375337.db2.gz CPWMFWHPBOBZGE-HUUCEWRRSA-N 2 1 301.450 2.069 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCC ZINC001153868421 797414705 /nfs/dbraw/zinc/41/47/05/797414705.db2.gz RGXXCCLELFXWLR-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCCCC ZINC001153868421 797414711 /nfs/dbraw/zinc/41/47/11/797414711.db2.gz RGXXCCLELFXWLR-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCCC ZINC001153868421 797414716 /nfs/dbraw/zinc/41/47/16/797414716.db2.gz RGXXCCLELFXWLR-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCCC ZINC001153868421 797414724 /nfs/dbraw/zinc/41/47/24/797414724.db2.gz RGXXCCLELFXWLR-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193205746 797521236 /nfs/dbraw/zinc/52/12/36/797521236.db2.gz VWFNTTJGOMDLBH-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP CSc1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1C#N ZINC001205627585 797538685 /nfs/dbraw/zinc/53/86/85/797538685.db2.gz QXQVFGPOIXQZAY-STQMWFEESA-N 2 1 304.463 2.482 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382801 797556057 /nfs/dbraw/zinc/55/60/57/797556057.db2.gz MUTMAOHHWWZQHJ-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197817899 798247605 /nfs/dbraw/zinc/24/76/05/798247605.db2.gz SXRGUJSCGSEPQR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817899 798247610 /nfs/dbraw/zinc/24/76/10/798247610.db2.gz SXRGUJSCGSEPQR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817899 798247611 /nfs/dbraw/zinc/24/76/11/798247611.db2.gz SXRGUJSCGSEPQR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158164773 798352907 /nfs/dbraw/zinc/35/29/07/798352907.db2.gz OMOOUPHVQXXBLF-QGZVFWFLSA-N 2 1 324.428 2.202 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200508348 798642913 /nfs/dbraw/zinc/64/29/13/798642913.db2.gz ZZAFCTAYJCNQEP-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200894918 798688097 /nfs/dbraw/zinc/68/80/97/798688097.db2.gz YYFQXNPKTQYPIS-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161207762 798810091 /nfs/dbraw/zinc/81/00/91/798810091.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207762 798810095 /nfs/dbraw/zinc/81/00/95/798810095.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161207762 798810100 /nfs/dbraw/zinc/81/01/00/798810100.db2.gz VXRBKFDNQPUZAF-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207429 798810825 /nfs/dbraw/zinc/81/08/25/798810825.db2.gz UDHNQSDUHYOFLH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207429 798810831 /nfs/dbraw/zinc/81/08/31/798810831.db2.gz UDHNQSDUHYOFLH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207429 798810837 /nfs/dbraw/zinc/81/08/37/798810837.db2.gz UDHNQSDUHYOFLH-FUHWJXTLSA-N 2 1 319.493 2.289 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491777 798869613 /nfs/dbraw/zinc/86/96/13/798869613.db2.gz ONDYBTYWOXUKLF-SFHVURJKSA-N 2 1 319.493 2.124 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161862741 798951866 /nfs/dbraw/zinc/95/18/66/798951866.db2.gz JGVGOPDYUNFQPR-FUHWJXTLSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161862741 798951869 /nfs/dbraw/zinc/95/18/69/798951869.db2.gz JGVGOPDYUNFQPR-FUHWJXTLSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161862741 798951873 /nfs/dbraw/zinc/95/18/73/798951873.db2.gz JGVGOPDYUNFQPR-FUHWJXTLSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663597 799141390 /nfs/dbraw/zinc/14/13/90/799141390.db2.gz YIHIFSAJVCPZSL-OAHLLOKOSA-N 2 1 318.465 2.213 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095532952 799650936 /nfs/dbraw/zinc/65/09/36/799650936.db2.gz WNAJWHUKQOZWRX-YVSFHVDLSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095532952 799650938 /nfs/dbraw/zinc/65/09/38/799650938.db2.gz WNAJWHUKQOZWRX-YVSFHVDLSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095532952 799650942 /nfs/dbraw/zinc/65/09/42/799650942.db2.gz WNAJWHUKQOZWRX-YVSFHVDLSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668705 799688751 /nfs/dbraw/zinc/68/87/51/799688751.db2.gz UFWWTLOMHPSUJM-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668705 799688756 /nfs/dbraw/zinc/68/87/56/799688756.db2.gz UFWWTLOMHPSUJM-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668705 799688758 /nfs/dbraw/zinc/68/87/58/799688758.db2.gz UFWWTLOMHPSUJM-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728835 799766041 /nfs/dbraw/zinc/76/60/41/799766041.db2.gz VOTGYUHRFQWWHO-HZPDHXFCSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312882 800035399 /nfs/dbraw/zinc/03/53/99/800035399.db2.gz KBJTWDHXVVRQDV-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427029 800045569 /nfs/dbraw/zinc/04/55/69/800045569.db2.gz SDMPQNXLRDACMP-HZPDHXFCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576883 800084705 /nfs/dbraw/zinc/08/47/05/800084705.db2.gz KOXORTZDYGABDP-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275715 800501031 /nfs/dbraw/zinc/50/10/31/800501031.db2.gz ZHPQHOSCHXKEJE-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857372 800607422 /nfs/dbraw/zinc/60/74/22/800607422.db2.gz KUVRKTCWOCFPPL-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952278 800640391 /nfs/dbraw/zinc/64/03/91/800640391.db2.gz HTRLKMAIYAULST-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206960142 800641511 /nfs/dbraw/zinc/64/15/11/800641511.db2.gz UZASKTLILONLHT-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206960142 800641515 /nfs/dbraw/zinc/64/15/15/800641515.db2.gz UZASKTLILONLHT-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206960142 800641519 /nfs/dbraw/zinc/64/15/19/800641519.db2.gz UZASKTLILONLHT-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545165 800775569 /nfs/dbraw/zinc/77/55/69/800775569.db2.gz IMPKIUZVWDTWOB-BZUAXINKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014130 800892188 /nfs/dbraw/zinc/89/21/88/800892188.db2.gz MNHRWSXDEURJPM-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073186 800905506 /nfs/dbraw/zinc/90/55/06/800905506.db2.gz DWWVEUCTSROSOO-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208115708 800915310 /nfs/dbraw/zinc/91/53/10/800915310.db2.gz KMZVSSPQHHKUER-HNNXBMFYSA-N 2 1 309.454 2.095 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331604 800956734 /nfs/dbraw/zinc/95/67/34/800956734.db2.gz UWUOBZQSNDYRSR-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572085 801016402 /nfs/dbraw/zinc/01/64/02/801016402.db2.gz JTJONEJKSRQFKZ-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209149722 801136684 /nfs/dbraw/zinc/13/66/84/801136684.db2.gz CTGJAYZTGHBVQK-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209149722 801136688 /nfs/dbraw/zinc/13/66/88/801136688.db2.gz CTGJAYZTGHBVQK-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209149722 801136693 /nfs/dbraw/zinc/13/66/93/801136693.db2.gz CTGJAYZTGHBVQK-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565557 801220920 /nfs/dbraw/zinc/22/09/20/801220920.db2.gz BCAMTVGFJPCCQU-ZACQAIPSSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147451 801364830 /nfs/dbraw/zinc/36/48/30/801364830.db2.gz FYXIZKROQMZCBE-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780069 801758643 /nfs/dbraw/zinc/75/86/43/801758643.db2.gz JLSNBNDDBAZCDP-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845477 801765652 /nfs/dbraw/zinc/76/56/52/801765652.db2.gz VWHUXMRBNKKCOW-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934038 801920055 /nfs/dbraw/zinc/92/00/55/801920055.db2.gz DAHDZNULJGEWRV-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001221594795 802595459 /nfs/dbraw/zinc/59/54/59/802595459.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221594795 802595466 /nfs/dbraw/zinc/59/54/66/802595466.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001221594795 802595470 /nfs/dbraw/zinc/59/54/70/802595470.db2.gz CJHNGRDRBWZQOL-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712038 802606130 /nfs/dbraw/zinc/60/61/30/802606130.db2.gz MLGGCKFITDXQIV-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712038 802606133 /nfs/dbraw/zinc/60/61/33/802606133.db2.gz MLGGCKFITDXQIV-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712038 802606135 /nfs/dbraw/zinc/60/61/35/802606135.db2.gz MLGGCKFITDXQIV-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046806 802636004 /nfs/dbraw/zinc/63/60/04/802636004.db2.gz WWUQLEJPJCDANA-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223928678 802823542 /nfs/dbraw/zinc/82/35/42/802823542.db2.gz HCADJMRQKLTNJM-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525308 803247601 /nfs/dbraw/zinc/24/76/01/803247601.db2.gz RZHIZJJXELDEFN-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877271 803290350 /nfs/dbraw/zinc/29/03/50/803290350.db2.gz QFBGGCSJTFZOPZ-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877271 803290353 /nfs/dbraw/zinc/29/03/53/803290353.db2.gz QFBGGCSJTFZOPZ-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001228274357 803337758 /nfs/dbraw/zinc/33/77/58/803337758.db2.gz UVMMVDPVQJAMAQ-AWEZNQCLSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370316036 1149527310 /nfs/dbraw/zinc/52/73/10/1149527310.db2.gz CMOSJYITXXFZNF-LSDHHAIUSA-N 2 1 315.889 2.250 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001328766720 1148833567 /nfs/dbraw/zinc/83/35/67/1148833567.db2.gz TVMMBHGGAAEYRZ-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611652 1058192009 /nfs/dbraw/zinc/19/20/09/1058192009.db2.gz SPFPPPOSLYMXBK-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611652 1058192021 /nfs/dbraw/zinc/19/20/21/1058192021.db2.gz SPFPPPOSLYMXBK-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611652 1058192031 /nfs/dbraw/zinc/19/20/31/1058192031.db2.gz SPFPPPOSLYMXBK-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611652 1058192040 /nfs/dbraw/zinc/19/20/40/1058192040.db2.gz SPFPPPOSLYMXBK-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240622 1059400660 /nfs/dbraw/zinc/40/06/60/1059400660.db2.gz PDLGXYCSLCBPKJ-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001502007583 1059861541 /nfs/dbraw/zinc/86/15/41/1059861541.db2.gz YREVJCFYIMUFKR-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001502406728 1060116556 /nfs/dbraw/zinc/11/65/56/1060116556.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406728 1060116565 /nfs/dbraw/zinc/11/65/65/1060116565.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001502406728 1060116572 /nfs/dbraw/zinc/11/65/72/1060116572.db2.gz QZWJRKAVAYKAOT-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001502532316 1060167904 /nfs/dbraw/zinc/16/79/04/1060167904.db2.gz OANHWOPAQXVOAI-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001502532316 1060167916 /nfs/dbraw/zinc/16/79/16/1060167916.db2.gz OANHWOPAQXVOAI-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001502532316 1060167923 /nfs/dbraw/zinc/16/79/23/1060167923.db2.gz OANHWOPAQXVOAI-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001502532316 1060167930 /nfs/dbraw/zinc/16/79/30/1060167930.db2.gz OANHWOPAQXVOAI-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001566069504 1060472036 /nfs/dbraw/zinc/47/20/36/1060472036.db2.gz ZETLRNIFLKATJW-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001505781288 1060956961 /nfs/dbraw/zinc/95/69/61/1060956961.db2.gz ZGYMADXCOZCWDL-DAWZGUTISA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479295346 1061372419 /nfs/dbraw/zinc/37/24/19/1061372419.db2.gz OGGSMCQLEWDPEX-IXDOHACOSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001506176797 1061713087 /nfs/dbraw/zinc/71/30/87/1061713087.db2.gz IDNAVZXYTGPTHQ-QZTJIDSGSA-N 2 1 321.509 2.345 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001479994209 1062157360 /nfs/dbraw/zinc/15/73/60/1062157360.db2.gz HFWGLEFXSXLSLN-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001480102945 1062332881 /nfs/dbraw/zinc/33/28/81/1062332881.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001480102945 1062332903 /nfs/dbraw/zinc/33/29/03/1062332903.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001480102945 1062332928 /nfs/dbraw/zinc/33/29/28/1062332928.db2.gz UAFVFQNUVBBAON-CALCHBBNSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001480101866 1062333291 /nfs/dbraw/zinc/33/32/91/1062333291.db2.gz JZVGNLVVYJSBQY-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001480101866 1062333310 /nfs/dbraw/zinc/33/33/10/1062333310.db2.gz JZVGNLVVYJSBQY-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001506885815 1062471913 /nfs/dbraw/zinc/47/19/13/1062471913.db2.gz CFHCPUIVFHHTBX-BFYDXBDKSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001506892452 1062478388 /nfs/dbraw/zinc/47/83/88/1062478388.db2.gz URWMABOXCZKIAJ-JFIYKMOQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480268261 1062568567 /nfs/dbraw/zinc/56/85/67/1062568567.db2.gz IUTAMDLXJYHAII-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001480268261 1062568588 /nfs/dbraw/zinc/56/85/88/1062568588.db2.gz IUTAMDLXJYHAII-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001480268261 1062568611 /nfs/dbraw/zinc/56/86/11/1062568611.db2.gz IUTAMDLXJYHAII-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480368515 1062724612 /nfs/dbraw/zinc/72/46/12/1062724612.db2.gz ZEWBRNUWXLCFLP-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480385895 1062771942 /nfs/dbraw/zinc/77/19/42/1062771942.db2.gz FSPJMRHLBOXTFB-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385895 1062771963 /nfs/dbraw/zinc/77/19/63/1062771963.db2.gz FSPJMRHLBOXTFB-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385895 1062771977 /nfs/dbraw/zinc/77/19/77/1062771977.db2.gz FSPJMRHLBOXTFB-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001507145128 1062912620 /nfs/dbraw/zinc/91/26/20/1062912620.db2.gz WZDZTIWZJAYYKC-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480785799 1063341345 /nfs/dbraw/zinc/34/13/45/1063341345.db2.gz IXFMSEPRXIZJPZ-SJLPKXTDSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001493157703 1063609075 /nfs/dbraw/zinc/60/90/75/1063609075.db2.gz AECBPWJVDOKJIB-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493157703 1063609085 /nfs/dbraw/zinc/60/90/85/1063609085.db2.gz AECBPWJVDOKJIB-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493157703 1063609093 /nfs/dbraw/zinc/60/90/93/1063609093.db2.gz AECBPWJVDOKJIB-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001493373442 1063753057 /nfs/dbraw/zinc/75/30/57/1063753057.db2.gz DPDHRBNRDZGFOX-UHFFFAOYSA-N 2 1 319.474 2.027 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494056996 1064107520 /nfs/dbraw/zinc/10/75/20/1064107520.db2.gz QUIFGLWUNDUDAD-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494056996 1064107523 /nfs/dbraw/zinc/10/75/23/1064107523.db2.gz QUIFGLWUNDUDAD-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001494214458 1064177766 /nfs/dbraw/zinc/17/77/66/1064177766.db2.gz WMEOLMTVLRNULO-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001494214458 1064177773 /nfs/dbraw/zinc/17/77/73/1064177773.db2.gz WMEOLMTVLRNULO-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001494214458 1064177777 /nfs/dbraw/zinc/17/77/77/1064177777.db2.gz WMEOLMTVLRNULO-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001567625329 1064287135 /nfs/dbraw/zinc/28/71/35/1064287135.db2.gz SJTZRPQKHLLXGZ-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001567625330 1064287589 /nfs/dbraw/zinc/28/75/89/1064287589.db2.gz SJTZRPQKHLLXGZ-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495268554 1064797583 /nfs/dbraw/zinc/79/75/83/1064797583.db2.gz UDMPRDUBQVYOES-FUHWJXTLSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568379730 1064823939 /nfs/dbraw/zinc/82/39/39/1064823939.db2.gz VKCQVXYULXAWOJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001568487734 1064905362 /nfs/dbraw/zinc/90/53/62/1064905362.db2.gz NIJHPHSNFYVSRX-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001568487734 1064905373 /nfs/dbraw/zinc/90/53/73/1064905373.db2.gz NIJHPHSNFYVSRX-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001568487734 1064905382 /nfs/dbraw/zinc/90/53/82/1064905382.db2.gz NIJHPHSNFYVSRX-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001568794169 1065122420 /nfs/dbraw/zinc/12/24/20/1065122420.db2.gz OAWFRWWXLMYMLY-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496326748 1065409314 /nfs/dbraw/zinc/40/93/14/1065409314.db2.gz OTUQPSKNXIZKIY-AEFFLSMTSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001569321522 1065427863 /nfs/dbraw/zinc/42/78/63/1065427863.db2.gz QMCFXTKFPDPZTM-DLBZAZTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001496425151 1065463323 /nfs/dbraw/zinc/46/33/23/1065463323.db2.gz CILFNLKXLOFQIS-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379632 1065476771 /nfs/dbraw/zinc/47/67/71/1065476771.db2.gz FEWFVVJXYBITBR-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001569400278 1065490546 /nfs/dbraw/zinc/49/05/46/1065490546.db2.gz KQKCEVWLHAZHSY-HZPDHXFCSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001569499967 1065549737 /nfs/dbraw/zinc/54/97/37/1065549737.db2.gz BGVKELLAHOBTTL-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001569499967 1065549748 /nfs/dbraw/zinc/54/97/48/1065549748.db2.gz BGVKELLAHOBTTL-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001496706025 1065660636 /nfs/dbraw/zinc/66/06/36/1065660636.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496706025 1065660640 /nfs/dbraw/zinc/66/06/40/1065660640.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496706025 1065660642 /nfs/dbraw/zinc/66/06/42/1065660642.db2.gz YWQLJVQNLDUSEH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496842142 1065748118 /nfs/dbraw/zinc/74/81/18/1065748118.db2.gz UFWNWTLSJRGTDN-UHFFFAOYSA-N 2 1 303.450 2.328 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569909899 1065811026 /nfs/dbraw/zinc/81/10/26/1065811026.db2.gz KATRUALQNYKFKA-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909899 1065811041 /nfs/dbraw/zinc/81/10/41/1065811041.db2.gz KATRUALQNYKFKA-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909899 1065811060 /nfs/dbraw/zinc/81/10/60/1065811060.db2.gz KATRUALQNYKFKA-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001570107069 1065927114 /nfs/dbraw/zinc/92/71/14/1065927114.db2.gz UCAIDUDSWGHBGG-QGZVFWFLSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499574065 1067265224 /nfs/dbraw/zinc/26/52/24/1067265224.db2.gz MKNZEJKAGUXZST-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001267132811 1078605315 /nfs/dbraw/zinc/60/53/15/1078605315.db2.gz SWRAMTVRURYYNZ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001267132811 1078605320 /nfs/dbraw/zinc/60/53/20/1078605320.db2.gz SWRAMTVRURYYNZ-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001570667274 1068061561 /nfs/dbraw/zinc/06/15/61/1068061561.db2.gz BMFXDQYCHFKKEA-DAWZGUTISA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001571365466 1068251795 /nfs/dbraw/zinc/25/17/95/1068251795.db2.gz VZBIYBQFYQEJPH-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCCC(C)(C)C ZINC001267243339 1078693763 /nfs/dbraw/zinc/69/37/63/1078693763.db2.gz UMMLCQFIZIKJGO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCCC(C)(C)C ZINC001267243339 1078693766 /nfs/dbraw/zinc/69/37/66/1078693766.db2.gz UMMLCQFIZIKJGO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCCC(C)(C)C ZINC001267243339 1078693769 /nfs/dbraw/zinc/69/37/69/1078693769.db2.gz UMMLCQFIZIKJGO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCCC(C)(C)C ZINC001267243339 1078693774 /nfs/dbraw/zinc/69/37/74/1078693774.db2.gz UMMLCQFIZIKJGO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCCC(C)(C)C ZINC001267243339 1078693778 /nfs/dbraw/zinc/69/37/78/1078693778.db2.gz UMMLCQFIZIKJGO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273209 1078720066 /nfs/dbraw/zinc/72/00/66/1078720066.db2.gz CLMHTOMOFQPOLC-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001267334868 1078773659 /nfs/dbraw/zinc/77/36/59/1078773659.db2.gz TYPPQNZPXCZPML-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001267382116 1078815827 /nfs/dbraw/zinc/81/58/27/1078815827.db2.gz MAGWCFDIOZTQOP-QGZVFWFLSA-N 2 1 312.417 2.215 20 30 DEEDMP C#CC[C@@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CCC[NH2+]1 ZINC001574525633 1069236574 /nfs/dbraw/zinc/23/65/74/1069236574.db2.gz ORLVZXFWMGJNJK-KRWDZBQOSA-N 2 1 319.836 2.486 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001574756449 1069256350 /nfs/dbraw/zinc/25/63/50/1069256350.db2.gz ATZXLAFRKWRERR-IBGZPJMESA-N 2 1 311.429 2.072 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001542326520 1072456485 /nfs/dbraw/zinc/45/64/85/1072456485.db2.gz GMTFLERZEFVUPH-DOTOQJQBSA-N 2 1 301.434 2.056 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267510501 1078940377 /nfs/dbraw/zinc/94/03/77/1078940377.db2.gz SCQUSQTTXVNADS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001267510501 1078940387 /nfs/dbraw/zinc/94/03/87/1078940387.db2.gz SCQUSQTTXVNADS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001267510501 1078940393 /nfs/dbraw/zinc/94/03/93/1078940393.db2.gz SCQUSQTTXVNADS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267520554 1078951172 /nfs/dbraw/zinc/95/11/72/1078951172.db2.gz MFUFJRFXGCAXGO-ZWKOTPCHSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585592 1079089521 /nfs/dbraw/zinc/08/95/21/1079089521.db2.gz YKSGXDHVITXGOT-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001329342087 1148886004 /nfs/dbraw/zinc/88/60/04/1148886004.db2.gz PUFWPMYXDKVJCP-CQSZACIVSA-N 2 1 306.454 2.239 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001484021837 1079247210 /nfs/dbraw/zinc/24/72/10/1079247210.db2.gz GPTRQQXOROHQFX-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484021837 1079247213 /nfs/dbraw/zinc/24/72/13/1079247213.db2.gz GPTRQQXOROHQFX-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484021837 1079247216 /nfs/dbraw/zinc/24/72/16/1079247216.db2.gz GPTRQQXOROHQFX-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001484100843 1079302828 /nfs/dbraw/zinc/30/28/28/1079302828.db2.gz OXNPOADZCJJURJ-LJQANCHMSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001565864305 1075200109 /nfs/dbraw/zinc/20/01/09/1075200109.db2.gz OGGSMCQLEWDPEX-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001566595491 1075291772 /nfs/dbraw/zinc/29/17/72/1075291772.db2.gz DDSJLWQXDIJINS-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001566595491 1075291777 /nfs/dbraw/zinc/29/17/77/1075291777.db2.gz DDSJLWQXDIJINS-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001566748501 1075334336 /nfs/dbraw/zinc/33/43/36/1075334336.db2.gz FIYWTBNFKBIXON-NCOADZHNSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001566748501 1075334339 /nfs/dbraw/zinc/33/43/39/1075334339.db2.gz FIYWTBNFKBIXON-NCOADZHNSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001566748501 1075334341 /nfs/dbraw/zinc/33/43/41/1075334341.db2.gz FIYWTBNFKBIXON-NCOADZHNSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001566755972 1075337172 /nfs/dbraw/zinc/33/71/72/1075337172.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001566755972 1075337179 /nfs/dbraw/zinc/33/71/79/1075337179.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001566755972 1075337187 /nfs/dbraw/zinc/33/71/87/1075337187.db2.gz YCZCVGCPZPLSGE-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054445 1075423868 /nfs/dbraw/zinc/42/38/68/1075423868.db2.gz RLELFCMBXCORKT-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567240913 1075471081 /nfs/dbraw/zinc/47/10/81/1075471081.db2.gz RPPIMMHGWNAWLX-WBVHZDCISA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267764746 1079469031 /nfs/dbraw/zinc/46/90/31/1079469031.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267764746 1079469037 /nfs/dbraw/zinc/46/90/37/1079469037.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267764746 1079469041 /nfs/dbraw/zinc/46/90/41/1079469041.db2.gz YMDKGQXAZNYKSH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001329458731 1148897574 /nfs/dbraw/zinc/89/75/74/1148897574.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1=CCCCC1 ZINC001329458731 1148897575 /nfs/dbraw/zinc/89/75/75/1148897575.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1=CCCCC1 ZINC001329458731 1148897580 /nfs/dbraw/zinc/89/75/80/1148897580.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1 ZINC001329458731 1148897582 /nfs/dbraw/zinc/89/75/82/1148897582.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001329458731 1148897583 /nfs/dbraw/zinc/89/75/83/1148897583.db2.gz BOMMXSCOWJNEBJ-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267911872 1079594821 /nfs/dbraw/zinc/59/48/21/1079594821.db2.gz GGDQUMDEKGHVEU-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001267948220 1079627609 /nfs/dbraw/zinc/62/76/09/1079627609.db2.gz WDAQBWPHBSUFRH-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481436154 1079842827 /nfs/dbraw/zinc/84/28/27/1079842827.db2.gz YSNXHAMXGFNGGS-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937549 1079867681 /nfs/dbraw/zinc/86/76/81/1079867681.db2.gz PFOMTHZYMJYORZ-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449283 1079869025 /nfs/dbraw/zinc/86/90/25/1079869025.db2.gz BQIJRPWUNKQOQW-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001485037221 1079932609 /nfs/dbraw/zinc/93/26/09/1079932609.db2.gz GKYODWGKQACCJM-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001485104594 1079983502 /nfs/dbraw/zinc/98/35/02/1079983502.db2.gz ANLCUKHLZPYREV-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268081978 1080034902 /nfs/dbraw/zinc/03/49/02/1080034902.db2.gz YRUDUBFSZNYRQX-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001485251787 1080087914 /nfs/dbraw/zinc/08/79/14/1080087914.db2.gz NCEBEPQLIBEKJW-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001268138019 1080105333 /nfs/dbraw/zinc/10/53/33/1080105333.db2.gz OSHZCOLPMIBYPA-MSOLQXFVSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001656979877 1080143885 /nfs/dbraw/zinc/14/38/85/1080143885.db2.gz SOJKNOJQEDKWGL-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)Cn2ccnc2)CC1 ZINC001268206374 1080191698 /nfs/dbraw/zinc/19/16/98/1080191698.db2.gz RDMIZHZQCJTTRN-UHFFFAOYSA-N 2 1 304.438 2.020 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1nccn1C ZINC001485479790 1080243446 /nfs/dbraw/zinc/24/34/46/1080243446.db2.gz HBHROZMKPIZSPG-INIZCTEOSA-N 2 1 318.465 2.290 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001485506828 1080267765 /nfs/dbraw/zinc/26/77/65/1080267765.db2.gz QXYYWFWJBAKKGK-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570367 1080302601 /nfs/dbraw/zinc/30/26/01/1080302601.db2.gz BUMXYWRYAVDVAU-HUUCEWRRSA-N 2 1 313.461 2.069 20 30 DEEDMP C=C(C)C[N@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001660408624 1080326771 /nfs/dbraw/zinc/32/67/71/1080326771.db2.gz LJPDKYLTIHLORL-UHFFFAOYSA-N 2 1 303.450 2.376 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494054520 1080372019 /nfs/dbraw/zinc/37/20/19/1080372019.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054520 1080372025 /nfs/dbraw/zinc/37/20/25/1080372025.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494054520 1080372031 /nfs/dbraw/zinc/37/20/31/1080372031.db2.gz KMNPSTYBGUGCIQ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001481747086 1080430498 /nfs/dbraw/zinc/43/04/98/1080430498.db2.gz LSKWWSVPAPAXON-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481747086 1080430501 /nfs/dbraw/zinc/43/05/01/1080430501.db2.gz LSKWWSVPAPAXON-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481747086 1080430503 /nfs/dbraw/zinc/43/05/03/1080430503.db2.gz LSKWWSVPAPAXON-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747086 1080430508 /nfs/dbraw/zinc/43/05/08/1080430508.db2.gz LSKWWSVPAPAXON-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481773024 1080490163 /nfs/dbraw/zinc/49/01/63/1080490163.db2.gz NIARYGYUCFPDKM-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001268455008 1080498816 /nfs/dbraw/zinc/49/88/16/1080498816.db2.gz ATGIOCDNYDSOLX-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268458211 1080523184 /nfs/dbraw/zinc/52/31/84/1080523184.db2.gz HFDRCUFZPRVERL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2cnc[nH]2)CC1 ZINC001482016353 1080689785 /nfs/dbraw/zinc/68/97/85/1080689785.db2.gz BCTRHXZIRJYDNE-JOCQHMNTSA-N 2 1 310.829 2.112 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001663067803 1080695563 /nfs/dbraw/zinc/69/55/63/1080695563.db2.gz XRLXYBCFLKWKNY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663067803 1080695567 /nfs/dbraw/zinc/69/55/67/1080695567.db2.gz XRLXYBCFLKWKNY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663067803 1080695571 /nfs/dbraw/zinc/69/55/71/1080695571.db2.gz XRLXYBCFLKWKNY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001663124208 1080706566 /nfs/dbraw/zinc/70/65/66/1080706566.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001663124208 1080706570 /nfs/dbraw/zinc/70/65/70/1080706570.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001663124208 1080706574 /nfs/dbraw/zinc/70/65/74/1080706574.db2.gz UDVUMZBRVZDSGZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001664457391 1080912428 /nfs/dbraw/zinc/91/24/28/1080912428.db2.gz NLVVUZOPUDKIEW-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664726243 1080949284 /nfs/dbraw/zinc/94/92/84/1080949284.db2.gz GUQRUIUJDZVJFV-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726243 1080949286 /nfs/dbraw/zinc/94/92/86/1080949286.db2.gz GUQRUIUJDZVJFV-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726243 1080949288 /nfs/dbraw/zinc/94/92/88/1080949288.db2.gz GUQRUIUJDZVJFV-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742190 1080963290 /nfs/dbraw/zinc/96/32/90/1080963290.db2.gz FGVYIGZCGDHQTM-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742190 1080963295 /nfs/dbraw/zinc/96/32/95/1080963295.db2.gz FGVYIGZCGDHQTM-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001665088966 1080989172 /nfs/dbraw/zinc/98/91/72/1080989172.db2.gz YOGGTAQVRYYJGC-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001665088966 1080989175 /nfs/dbraw/zinc/98/91/75/1080989175.db2.gz YOGGTAQVRYYJGC-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001665088966 1080989180 /nfs/dbraw/zinc/98/91/80/1080989180.db2.gz YOGGTAQVRYYJGC-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665545895 1081038401 /nfs/dbraw/zinc/03/84/01/1081038401.db2.gz WWHUCTYWFJZSHL-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001665545895 1081038406 /nfs/dbraw/zinc/03/84/06/1081038406.db2.gz WWHUCTYWFJZSHL-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268965046 1081061139 /nfs/dbraw/zinc/06/11/39/1081061139.db2.gz HSIFBSMJWXZWBS-LUKYLMHMSA-N 2 1 307.482 2.212 20 30 DEEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001665871364 1081092010 /nfs/dbraw/zinc/09/20/10/1081092010.db2.gz HHCDZCKMTZUHSN-ZWKOTPCHSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001666347555 1081147070 /nfs/dbraw/zinc/14/70/70/1081147070.db2.gz NOPQZBIOZWNMBJ-IBGZPJMESA-N 2 1 313.445 2.064 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001482219677 1081252181 /nfs/dbraw/zinc/25/21/81/1081252181.db2.gz MOLZVQVWALVALN-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667692796 1081275587 /nfs/dbraw/zinc/27/55/87/1081275587.db2.gz CPXWEYUBIWSQKO-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)CCC[NH+](C)C)C1CCCCCC1 ZINC001269611979 1081310262 /nfs/dbraw/zinc/31/02/62/1081310262.db2.gz VCAPZHXDFXRDEG-UHFFFAOYSA-N 2 1 321.509 2.493 20 30 DEEDMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001668883878 1081406770 /nfs/dbraw/zinc/40/67/70/1081406770.db2.gz VARPHMZPJHRGNS-SEDCNLEPSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671916452 1081550371 /nfs/dbraw/zinc/55/03/71/1081550371.db2.gz LXPDVZCTVVMBMJ-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671916452 1081550372 /nfs/dbraw/zinc/55/03/72/1081550372.db2.gz LXPDVZCTVVMBMJ-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671916452 1081550373 /nfs/dbraw/zinc/55/03/73/1081550373.db2.gz LXPDVZCTVVMBMJ-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444530 1081714092 /nfs/dbraw/zinc/71/40/92/1081714092.db2.gz VJKOHFUMHYCNML-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001270812453 1081724454 /nfs/dbraw/zinc/72/44/54/1081724454.db2.gz CPTAEUKJXQEZLK-GOSISDBHSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001673651409 1081789338 /nfs/dbraw/zinc/78/93/38/1081789338.db2.gz VEPOFFVJFAKTGV-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001673651409 1081789345 /nfs/dbraw/zinc/78/93/45/1081789345.db2.gz VEPOFFVJFAKTGV-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001673651409 1081789352 /nfs/dbraw/zinc/78/93/52/1081789352.db2.gz VEPOFFVJFAKTGV-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001674354252 1081863801 /nfs/dbraw/zinc/86/38/01/1081863801.db2.gz ZWFPOVNAZCOSLK-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001674399626 1081865872 /nfs/dbraw/zinc/86/58/72/1081865872.db2.gz SNDJBCYPNUNBBU-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271007185 1081872750 /nfs/dbraw/zinc/87/27/50/1081872750.db2.gz KITAVQDALPGEED-WMZOPIPTSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506239 1081885197 /nfs/dbraw/zinc/88/51/97/1081885197.db2.gz WDRUFLYUHGITOR-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362036 1081999654 /nfs/dbraw/zinc/99/96/54/1081999654.db2.gz XCGRPYGABYJSQL-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362036 1081999661 /nfs/dbraw/zinc/99/96/61/1081999661.db2.gz XCGRPYGABYJSQL-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001271285358 1082004607 /nfs/dbraw/zinc/00/46/07/1082004607.db2.gz FFBIRGSABWCTHE-HZPDHXFCSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266459828 1082050345 /nfs/dbraw/zinc/05/03/45/1082050345.db2.gz UAGZHNPPRQYPFC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266459828 1082050355 /nfs/dbraw/zinc/05/03/55/1082050355.db2.gz UAGZHNPPRQYPFC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001266459828 1082050361 /nfs/dbraw/zinc/05/03/61/1082050361.db2.gz UAGZHNPPRQYPFC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266466724 1082056567 /nfs/dbraw/zinc/05/65/67/1082056567.db2.gz UMWDNFZQJIYLQF-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266466724 1082056572 /nfs/dbraw/zinc/05/65/72/1082056572.db2.gz UMWDNFZQJIYLQF-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266466724 1082056576 /nfs/dbraw/zinc/05/65/76/1082056576.db2.gz UMWDNFZQJIYLQF-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001266489679 1082071286 /nfs/dbraw/zinc/07/12/86/1082071286.db2.gz NVSYGOQJYRRYQP-IYBDPMFKSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266884059 1082428196 /nfs/dbraw/zinc/42/81/96/1082428196.db2.gz KOHTUJJTALWJHQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438917 1083396397 /nfs/dbraw/zinc/39/63/97/1083396397.db2.gz MWRQWAZYECNKOW-ZHALLVOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001671145452 1083410282 /nfs/dbraw/zinc/41/02/82/1083410282.db2.gz YIEGHPFKEPUAON-UHFFFAOYSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001276602549 1083509462 /nfs/dbraw/zinc/50/94/62/1083509462.db2.gz AKFQKQRJGZNLFD-ZWKOTPCHSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001276644209 1083530663 /nfs/dbraw/zinc/53/06/63/1083530663.db2.gz ZSCSBWMHMIJREP-IAGOWNOFSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339056 1083947896 /nfs/dbraw/zinc/94/78/96/1083947896.db2.gz DFKGXCMVYXYZDU-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP N#CCCCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463322 /nfs/dbraw/zinc/46/33/22/1084463322.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCCC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463326 /nfs/dbraw/zinc/46/33/26/1084463326.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277952309 1084463330 /nfs/dbraw/zinc/46/33/30/1084463330.db2.gz XCMYDQKBSLAROH-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001277956043 1084477106 /nfs/dbraw/zinc/47/71/06/1084477106.db2.gz GEIFHRQKWLBAAN-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235722016 1084513434 /nfs/dbraw/zinc/51/34/34/1084513434.db2.gz HZJORSRWQSWPFT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001486175773 1085107044 /nfs/dbraw/zinc/10/70/44/1085107044.db2.gz FUDJFIKCLSYRHO-RDJZCZTQSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001486175773 1085107045 /nfs/dbraw/zinc/10/70/45/1085107045.db2.gz FUDJFIKCLSYRHO-RDJZCZTQSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H]1C ZINC001486175773 1085107048 /nfs/dbraw/zinc/10/70/48/1085107048.db2.gz FUDJFIKCLSYRHO-RDJZCZTQSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H]1C ZINC001486175773 1085107053 /nfs/dbraw/zinc/10/70/53/1085107053.db2.gz FUDJFIKCLSYRHO-RDJZCZTQSA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964185168 1085173370 /nfs/dbraw/zinc/17/33/70/1085173370.db2.gz MBZZLMZSSWKVFX-KLAILNCOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000960303955 1085188594 /nfs/dbraw/zinc/18/85/94/1085188594.db2.gz KJYNHQPNPSADDF-POZUXBRTSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933252 1085700868 /nfs/dbraw/zinc/70/08/68/1085700868.db2.gz VPYKDNAZPGFBGJ-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443902 1085735795 /nfs/dbraw/zinc/73/57/95/1085735795.db2.gz XZZXYNABBAHYJB-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443902 1085735803 /nfs/dbraw/zinc/73/58/03/1085735803.db2.gz XZZXYNABBAHYJB-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443902 1085735812 /nfs/dbraw/zinc/73/58/12/1085735812.db2.gz XZZXYNABBAHYJB-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835876 /nfs/dbraw/zinc/83/58/76/1085835876.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835882 /nfs/dbraw/zinc/83/58/82/1085835882.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001494206707 1085835893 /nfs/dbraw/zinc/83/58/93/1085835893.db2.gz QUEZHFFRCAVREX-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568279 1088417455 /nfs/dbraw/zinc/41/74/55/1088417455.db2.gz GSWKMTFQXMREGU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562194 1088424793 /nfs/dbraw/zinc/42/47/93/1088424793.db2.gz BGLXSKGTJCUOHM-VIBAHUMZSA-N 2 1 324.428 2.349 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602595 1088450841 /nfs/dbraw/zinc/45/08/41/1088450841.db2.gz ASJTUQGTIMBXEY-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850140 1088475464 /nfs/dbraw/zinc/47/54/64/1088475464.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850140 1088475476 /nfs/dbraw/zinc/47/54/76/1088475476.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850140 1088475486 /nfs/dbraw/zinc/47/54/86/1088475486.db2.gz HLVSFUAOYOBWCL-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000957786264 1088614748 /nfs/dbraw/zinc/61/47/48/1088614748.db2.gz CQNYUTHWHMILEN-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114853369 1089212223 /nfs/dbraw/zinc/21/22/23/1089212223.db2.gz CRCNXLSOVBPGIC-VVLHAWIVSA-N 2 1 309.498 2.343 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488007 1090303765 /nfs/dbraw/zinc/30/37/65/1090303765.db2.gz ILPZHICKQBRJDS-NVXWUHKLSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853234 1090476798 /nfs/dbraw/zinc/47/67/98/1090476798.db2.gz YBRVBNYZNRJRIG-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084957968 1090546310 /nfs/dbraw/zinc/54/63/10/1090546310.db2.gz HDLAKLGSWLQYFQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957968 1090546318 /nfs/dbraw/zinc/54/63/18/1090546318.db2.gz HDLAKLGSWLQYFQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957968 1090546326 /nfs/dbraw/zinc/54/63/26/1090546326.db2.gz HDLAKLGSWLQYFQ-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101457 1090645817 /nfs/dbraw/zinc/64/58/17/1090645817.db2.gz LVCGPRAUTAIYDN-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCN(CC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1)C(=O)OCC ZINC001274928115 1091476326 /nfs/dbraw/zinc/47/63/26/1091476326.db2.gz WYPRDODMKDWVGL-GOSISDBHSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1)C(=O)OCC ZINC001274928115 1091476330 /nfs/dbraw/zinc/47/63/30/1091476330.db2.gz WYPRDODMKDWVGL-GOSISDBHSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1)C(=O)OCC ZINC001274928115 1091476335 /nfs/dbraw/zinc/47/63/35/1091476335.db2.gz WYPRDODMKDWVGL-GOSISDBHSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CCN(CC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1)C(=O)OCC ZINC001274928115 1091476338 /nfs/dbraw/zinc/47/63/38/1091476338.db2.gz WYPRDODMKDWVGL-GOSISDBHSA-N 2 1 323.481 2.439 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001275150794 1091586810 /nfs/dbraw/zinc/58/68/10/1091586810.db2.gz NTLNZALYEIBQIA-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001275150794 1091586818 /nfs/dbraw/zinc/58/68/18/1091586818.db2.gz NTLNZALYEIBQIA-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001275150794 1091586826 /nfs/dbraw/zinc/58/68/26/1091586826.db2.gz NTLNZALYEIBQIA-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCC=C)C1 ZINC001490829358 1091778045 /nfs/dbraw/zinc/77/80/45/1091778045.db2.gz YTSJHKPRFQKUOY-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCC=C)C1 ZINC001490829358 1091778050 /nfs/dbraw/zinc/77/80/50/1091778050.db2.gz YTSJHKPRFQKUOY-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cccc2nccn21 ZINC001273535100 1091910369 /nfs/dbraw/zinc/91/03/69/1091910369.db2.gz RIYRYWDPINRIIJ-UHFFFAOYSA-N 2 1 300.406 2.304 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006442578 1092134287 /nfs/dbraw/zinc/13/42/87/1092134287.db2.gz JJDUTAIBBWRVEQ-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001490700550 1093493570 /nfs/dbraw/zinc/49/35/70/1093493570.db2.gz UIYFTHUQURATAR-QZTJIDSGSA-N 2 1 319.493 2.454 20 30 DEEDMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001236321016 1138351454 /nfs/dbraw/zinc/35/14/54/1138351454.db2.gz NKDZNEBTGMWSKM-IYBDPMFKSA-N 2 1 308.429 2.481 20 30 DEEDMP N#Cc1cc(-c2cc(-n3ccnc3)cc[nH+]2)cc(C2C[NH2+]C2)c1 ZINC001240346775 1139341497 /nfs/dbraw/zinc/34/14/97/1139341497.db2.gz XELCURJKSPPQEL-UHFFFAOYSA-N 2 1 301.353 2.493 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281974665 1139836081 /nfs/dbraw/zinc/83/60/81/1139836081.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974665 1139836083 /nfs/dbraw/zinc/83/60/83/1139836083.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974665 1139836084 /nfs/dbraw/zinc/83/60/84/1139836084.db2.gz GKJPHYYOIJTEOG-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446405 1140332999 /nfs/dbraw/zinc/33/29/99/1140332999.db2.gz VJLWZUBNXCRWKJ-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446405 1140333009 /nfs/dbraw/zinc/33/30/09/1140333009.db2.gz VJLWZUBNXCRWKJ-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001318475203 1140341837 /nfs/dbraw/zinc/34/18/37/1140341837.db2.gz YYFNHPZIYVVBQX-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318852601 1140437078 /nfs/dbraw/zinc/43/70/78/1140437078.db2.gz XHELIJBOLBEJCO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001329624744 1148944178 /nfs/dbraw/zinc/94/41/78/1148944178.db2.gz STRNJBALAHKQMW-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001329624744 1148944190 /nfs/dbraw/zinc/94/41/90/1148944190.db2.gz STRNJBALAHKQMW-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001329624744 1148944201 /nfs/dbraw/zinc/94/42/01/1148944201.db2.gz STRNJBALAHKQMW-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001319659349 1140647932 /nfs/dbraw/zinc/64/79/32/1140647932.db2.gz JSBNYNQETOWJKN-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246023151 1140847863 /nfs/dbraw/zinc/84/78/63/1140847863.db2.gz ONYGQQDSDDNCJI-BRWVUGGUSA-N 2 1 300.487 2.272 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@]3(CC(=O)OCC)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246124595 1140863859 /nfs/dbraw/zinc/86/38/59/1140863859.db2.gz GGUHNPLTCOYDKA-ONYGOOLBSA-N 2 1 306.450 2.396 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730681 1141047082 /nfs/dbraw/zinc/04/70/82/1141047082.db2.gz AEHLSSKYPSUMFG-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769782 1141052933 /nfs/dbraw/zinc/05/29/33/1141052933.db2.gz RLBUMXWUBWZYQS-VQTPCSAVSA-N 2 1 306.450 2.096 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001323873570 1141895080 /nfs/dbraw/zinc/89/50/80/1141895080.db2.gz POYOPIQVKSWQMN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001323873570 1141895082 /nfs/dbraw/zinc/89/50/82/1141895082.db2.gz POYOPIQVKSWQMN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001323873570 1141895083 /nfs/dbraw/zinc/89/50/83/1141895083.db2.gz POYOPIQVKSWQMN-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001278662480 1142694046 /nfs/dbraw/zinc/69/40/46/1142694046.db2.gz CGZYRANESALAND-WBVHZDCISA-N 2 1 313.461 2.071 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001252499166 1142735981 /nfs/dbraw/zinc/73/59/81/1142735981.db2.gz WXOSXYBOJHPBTO-UHOSZYNNSA-N 2 1 318.461 2.050 20 30 DEEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664134 1143306407 /nfs/dbraw/zinc/30/64/07/1143306407.db2.gz UKWQGJOYANCKID-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664134 1143306412 /nfs/dbraw/zinc/30/64/12/1143306412.db2.gz UKWQGJOYANCKID-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC001254664134 1143306419 /nfs/dbraw/zinc/30/64/19/1143306419.db2.gz UKWQGJOYANCKID-NCXUSEDFSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001263865843 1144416422 /nfs/dbraw/zinc/41/64/22/1144416422.db2.gz VYVDMSFXLCAGMY-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001265217518 1144669750 /nfs/dbraw/zinc/66/97/50/1144669750.db2.gz XUOMHIWIWDUHND-HOTGVXAUSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265306749 1144689388 /nfs/dbraw/zinc/68/93/88/1144689388.db2.gz WSFYHHDQBUVQAP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306749 1144689390 /nfs/dbraw/zinc/68/93/90/1144689390.db2.gz WSFYHHDQBUVQAP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306749 1144689395 /nfs/dbraw/zinc/68/93/95/1144689395.db2.gz WSFYHHDQBUVQAP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266042472 1144798602 /nfs/dbraw/zinc/79/86/02/1144798602.db2.gz CQBUEAYXIVDLEU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266222904 1144816091 /nfs/dbraw/zinc/81/60/91/1144816091.db2.gz GVHYIQSHZLYLRO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266222904 1144816093 /nfs/dbraw/zinc/81/60/93/1144816093.db2.gz GVHYIQSHZLYLRO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266222904 1144816094 /nfs/dbraw/zinc/81/60/94/1144816094.db2.gz GVHYIQSHZLYLRO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001279245017 1144819661 /nfs/dbraw/zinc/81/96/61/1144819661.db2.gz VBBOESHIHXSMML-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001279624822 1144826215 /nfs/dbraw/zinc/82/62/15/1144826215.db2.gz RXNGELPRTCSHAD-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316598858 1144828239 /nfs/dbraw/zinc/82/82/39/1144828239.db2.gz KDFGYAIQGHKHJX-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889901 1144861488 /nfs/dbraw/zinc/86/14/88/1144861488.db2.gz RWFGWCPCJFCRJD-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552852 1144896768 /nfs/dbraw/zinc/89/67/68/1144896768.db2.gz MFFXGKXCOWFZMO-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552852 1144896769 /nfs/dbraw/zinc/89/67/69/1144896769.db2.gz MFFXGKXCOWFZMO-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552852 1144896771 /nfs/dbraw/zinc/89/67/71/1144896771.db2.gz MFFXGKXCOWFZMO-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001281845198 1144916362 /nfs/dbraw/zinc/91/63/62/1144916362.db2.gz RVEMVSGRPSYBBD-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001281905251 1144919103 /nfs/dbraw/zinc/91/91/03/1144919103.db2.gz IOQSUQOZRWVCEK-IEBWSBKVSA-N 2 1 313.445 2.029 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001283077160 1145258284 /nfs/dbraw/zinc/25/82/84/1145258284.db2.gz ANLCUKHLZPYREV-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001364739109 1145527188 /nfs/dbraw/zinc/52/71/88/1145527188.db2.gz XNEPUFYUTMGPIR-SJLPKXTDSA-N 2 1 304.482 2.171 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284605583 1145878151 /nfs/dbraw/zinc/87/81/51/1145878151.db2.gz YQQWKXFEXQNMNR-DLBZAZTESA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001284994565 1146004717 /nfs/dbraw/zinc/00/47/17/1146004717.db2.gz IJIQTAQZLNTUCD-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154451 1147102080 /nfs/dbraw/zinc/10/20/80/1147102080.db2.gz NJROWAOCNINLME-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317330642 1147341996 /nfs/dbraw/zinc/34/19/96/1147341996.db2.gz MXXJZEKXHPQUIT-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316897029 1147626163 /nfs/dbraw/zinc/62/61/63/1147626163.db2.gz WFFDHCRSDAUNMP-UHFFFAOYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316998229 1147646895 /nfs/dbraw/zinc/64/68/95/1147646895.db2.gz KLINSAUDLNSJFL-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317155847 1147667836 /nfs/dbraw/zinc/66/78/36/1147667836.db2.gz PRTIHHRBJLDENB-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317325330 1147690991 /nfs/dbraw/zinc/69/09/91/1147690991.db2.gz GELSFDTYPUFPKE-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383912 1147699985 /nfs/dbraw/zinc/69/99/85/1147699985.db2.gz IPMIJACBIQZHFA-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317382703 1147699992 /nfs/dbraw/zinc/69/99/92/1147699992.db2.gz UJHPNIIVJABWAD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317382703 1147699993 /nfs/dbraw/zinc/69/99/93/1147699993.db2.gz UJHPNIIVJABWAD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317382703 1147699994 /nfs/dbraw/zinc/69/99/94/1147699994.db2.gz UJHPNIIVJABWAD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317673245 1147741777 /nfs/dbraw/zinc/74/17/77/1147741777.db2.gz BCKAJIUJYDKSPF-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001317683389 1147743589 /nfs/dbraw/zinc/74/35/89/1147743589.db2.gz OUSPYMJQDONNEF-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324752220 1147839803 /nfs/dbraw/zinc/83/98/03/1147839803.db2.gz PWVMZHIKXRZFMA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001325656452 1147977960 /nfs/dbraw/zinc/97/79/60/1147977960.db2.gz OZQRQHYLWRTQJC-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001325943209 1148022017 /nfs/dbraw/zinc/02/20/17/1148022017.db2.gz RXNGELPRTCSHAD-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090635 529695219 /nfs/dbraw/zinc/69/52/19/529695219.db2.gz KVYYNEDHVRDJLU-RDJZCZTQSA-N 2 1 302.466 2.254 20 30 DEEDMP CC[N@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181593483 199324196 /nfs/dbraw/zinc/32/41/96/199324196.db2.gz LGUUOJUQACDACJ-UHFFFAOYSA-N 2 1 300.450 2.064 20 30 DEEDMP CC[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181593483 199324198 /nfs/dbraw/zinc/32/41/98/199324198.db2.gz LGUUOJUQACDACJ-UHFFFAOYSA-N 2 1 300.450 2.064 20 30 DEEDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1 ZINC000181705355 199341490 /nfs/dbraw/zinc/34/14/90/199341490.db2.gz HWNNAPBGHTYDLN-INIZCTEOSA-N 2 1 300.450 2.236 20 30 DEEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000045840839 354265182 /nfs/dbraw/zinc/26/51/82/354265182.db2.gz MPSFZDUNTGWRRJ-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000045840839 354265184 /nfs/dbraw/zinc/26/51/84/354265184.db2.gz MPSFZDUNTGWRRJ-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP CCNC(NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)=[NH+]CC ZINC000066242303 354705839 /nfs/dbraw/zinc/70/58/39/354705839.db2.gz PMZJTDFCDOFOGP-INIZCTEOSA-N 2 1 318.465 2.407 20 30 DEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCCC1 ZINC000066244075 184398446 /nfs/dbraw/zinc/39/84/46/184398446.db2.gz QJTNYEASEJMKFW-MRXNPFEDSA-N 2 1 316.449 2.289 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377715190 133343259 /nfs/dbraw/zinc/34/32/59/133343259.db2.gz BJJZZRLFCTXNRD-QFBILLFUSA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377715190 133343260 /nfs/dbraw/zinc/34/32/60/133343260.db2.gz BJJZZRLFCTXNRD-QFBILLFUSA-N 2 1 312.461 2.331 20 30 DEEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000111243356 401702640 /nfs/dbraw/zinc/70/26/40/401702640.db2.gz RLCPEIZCYDCDAP-UHFFFAOYSA-N 2 1 309.373 2.030 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)c1 ZINC000104183171 402199380 /nfs/dbraw/zinc/19/93/80/402199380.db2.gz MWVWXWUIMQZDOZ-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000104183171 402199381 /nfs/dbraw/zinc/19/93/81/402199381.db2.gz MWVWXWUIMQZDOZ-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000104183171 402199385 /nfs/dbraw/zinc/19/93/85/402199385.db2.gz MWVWXWUIMQZDOZ-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181706 402199650 /nfs/dbraw/zinc/19/96/50/402199650.db2.gz PATJGWUKYYXIDP-QGZVFWFLSA-N 2 1 302.466 2.255 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000106263485 402212773 /nfs/dbraw/zinc/21/27/73/402212773.db2.gz QLELFPJYIJOBMN-INIZCTEOSA-N 2 1 322.497 2.058 20 30 DEEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000176864317 402344075 /nfs/dbraw/zinc/34/40/75/402344075.db2.gz RPMGQIONBVICRB-AWEZNQCLSA-N 2 1 319.424 2.222 20 30 DEEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687671 402455422 /nfs/dbraw/zinc/45/54/22/402455422.db2.gz BEHRQUXHXZLWQE-RDGPPVDQSA-N 2 1 300.446 2.424 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000170912038 402540564 /nfs/dbraw/zinc/54/05/64/402540564.db2.gz VAPNWWNXKXDCHK-OAHLLOKOSA-N 2 1 318.465 2.220 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)N1 ZINC000262635716 402728743 /nfs/dbraw/zinc/72/87/43/402728743.db2.gz GTAYNNCRUPKYRE-CABCVRRESA-N 2 1 300.450 2.356 20 30 DEEDMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272133624 402901321 /nfs/dbraw/zinc/90/13/21/402901321.db2.gz ATHMWVCGSWWRLV-UHFFFAOYSA-N 2 1 321.428 2.310 20 30 DEEDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421525 403152248 /nfs/dbraw/zinc/15/22/48/403152248.db2.gz SQJZPGJMAZOUEW-HNNXBMFYSA-N 2 1 300.450 2.235 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343922853 403793197 /nfs/dbraw/zinc/79/31/97/403793197.db2.gz LEYJNNIKSRXOLY-APWZRJJASA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343922853 403793200 /nfs/dbraw/zinc/79/32/00/403793200.db2.gz LEYJNNIKSRXOLY-APWZRJJASA-N 2 1 312.461 2.016 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000328108583 404104815 /nfs/dbraw/zinc/10/48/15/404104815.db2.gz NIZOHNIZWSPGPZ-HOTGVXAUSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000328108583 404104823 /nfs/dbraw/zinc/10/48/23/404104823.db2.gz NIZOHNIZWSPGPZ-HOTGVXAUSA-N 2 1 323.481 2.367 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)C2 ZINC000329443717 404339006 /nfs/dbraw/zinc/33/90/06/404339006.db2.gz BYWIKTQNZUELHY-KWCYVHTRSA-N 2 1 302.422 2.336 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)C2 ZINC000329443717 404339015 /nfs/dbraw/zinc/33/90/15/404339015.db2.gz BYWIKTQNZUELHY-KWCYVHTRSA-N 2 1 302.422 2.336 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000329540606 404369894 /nfs/dbraw/zinc/36/98/94/404369894.db2.gz WSJABUBTCBGQRJ-HIFRSBDPSA-N 2 1 304.438 2.442 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000329540606 404369902 /nfs/dbraw/zinc/36/99/02/404369902.db2.gz WSJABUBTCBGQRJ-HIFRSBDPSA-N 2 1 304.438 2.442 20 30 DEEDMP CC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000414352841 404588525 /nfs/dbraw/zinc/58/85/25/404588525.db2.gz XLYFFHKFJNSGGH-LJQANCHMSA-N 2 1 312.461 2.206 20 30 DEEDMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000414352841 404588532 /nfs/dbraw/zinc/58/85/32/404588532.db2.gz XLYFFHKFJNSGGH-LJQANCHMSA-N 2 1 312.461 2.206 20 30 DEEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474399 404590367 /nfs/dbraw/zinc/59/03/67/404590367.db2.gz FZDKQEXKSKKICT-IBGZPJMESA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474399 404590374 /nfs/dbraw/zinc/59/03/74/404590374.db2.gz FZDKQEXKSKKICT-IBGZPJMESA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351474399 404590381 /nfs/dbraw/zinc/59/03/81/404590381.db2.gz FZDKQEXKSKKICT-IBGZPJMESA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351474399 404590387 /nfs/dbraw/zinc/59/03/87/404590387.db2.gz FZDKQEXKSKKICT-IBGZPJMESA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414692537 404709753 /nfs/dbraw/zinc/70/97/53/404709753.db2.gz QKNJTJIOIJLOPH-OAHLLOKOSA-N 2 1 319.424 2.011 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230925 404776769 /nfs/dbraw/zinc/77/67/69/404776769.db2.gz CWKLPXXEEKBQMH-KVSKMBFKSA-N 2 1 314.429 2.212 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230925 404776771 /nfs/dbraw/zinc/77/67/71/404776771.db2.gz CWKLPXXEEKBQMH-KVSKMBFKSA-N 2 1 314.429 2.212 20 30 DEEDMP C=CCN1CCC([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000361226920 404983139 /nfs/dbraw/zinc/98/31/39/404983139.db2.gz DFQCPNHLSDAQFU-MJGOQNOKSA-N 2 1 323.525 2.363 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206021 405723090 /nfs/dbraw/zinc/72/30/90/405723090.db2.gz FOXNTEXQYYZCHK-SFHVURJKSA-N 2 1 312.461 2.112 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000491568257 406626098 /nfs/dbraw/zinc/62/60/98/406626098.db2.gz PVCCGKKRXMQEHC-KRWDZBQOSA-N 2 1 300.402 2.003 20 30 DEEDMP C=CC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462827773 425107888 /nfs/dbraw/zinc/10/78/88/425107888.db2.gz JXAYGAAFYZZINH-UHFFFAOYSA-N 2 1 303.454 2.728 20 30 DEEDMP C=CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC[NH2+]1 ZINC000662792633 425736698 /nfs/dbraw/zinc/73/66/98/425736698.db2.gz GRQHGOHBUKJGOV-SOLBZPMBSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662669324 425707644 /nfs/dbraw/zinc/70/76/44/425707644.db2.gz PUHJGNUECDUNRI-IBGZPJMESA-N 2 1 315.461 2.323 20 30 DEEDMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCSCC1 ZINC000262278825 295005779 /nfs/dbraw/zinc/00/57/79/295005779.db2.gz LKHXFVJWWZMLNS-CYBMUJFWSA-N 2 1 324.519 2.249 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951927 782072869 /nfs/dbraw/zinc/07/28/69/782072869.db2.gz OUCADDFWBMGWLP-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262669214 534164299 /nfs/dbraw/zinc/16/42/99/534164299.db2.gz QHJXXGVELBFYSQ-OAHLLOKOSA-N 2 1 300.450 2.452 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001327474330 1148564709 /nfs/dbraw/zinc/56/47/09/1148564709.db2.gz IYEDMQRLRSUAKS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261995999 526393598 /nfs/dbraw/zinc/39/35/98/526393598.db2.gz SLAHEKBOPRNRLR-KBPBESRZSA-N 2 1 308.495 2.450 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000294877271 526827639 /nfs/dbraw/zinc/82/76/39/526827639.db2.gz DEBQLFKOAORXSA-INIZCTEOSA-N 2 1 301.434 2.257 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000294877271 526827645 /nfs/dbraw/zinc/82/76/45/526827645.db2.gz DEBQLFKOAORXSA-INIZCTEOSA-N 2 1 301.434 2.257 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264065052 527982282 /nfs/dbraw/zinc/98/22/82/527982282.db2.gz AVTSZDZJJVSYRB-QGZVFWFLSA-N 2 1 302.466 2.208 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCc3ccccc32)C1 ZINC000263115971 528248761 /nfs/dbraw/zinc/24/87/61/528248761.db2.gz FUNPYFONCWQERX-HNNXBMFYSA-N 2 1 300.450 2.356 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663559 625321602 /nfs/dbraw/zinc/32/16/02/625321602.db2.gz XCSAGLHYNAQPKE-UKRRQHHQSA-N 2 1 305.422 2.110 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458759 625451928 /nfs/dbraw/zinc/45/19/28/625451928.db2.gz CKDDRNJJYLFTCW-ZBFHGGJFSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648412 622863750 /nfs/dbraw/zinc/86/37/50/622863750.db2.gz JNEGXPMHUMRZTF-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836296 622941693 /nfs/dbraw/zinc/94/16/93/622941693.db2.gz KVXYHZHAHZCBJN-HOCLYGCPSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664301 623920156 /nfs/dbraw/zinc/92/01/56/623920156.db2.gz GXNHWWHDQWLCHE-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436720 624038227 /nfs/dbraw/zinc/03/82/27/624038227.db2.gz MBRFCZJAIXZVLD-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926344881 624772841 /nfs/dbraw/zinc/77/28/41/624772841.db2.gz ZFJRPQZQKDZRMS-QCLGFWRNSA-N 2 1 308.466 2.199 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972486234 625120914 /nfs/dbraw/zinc/12/09/14/625120914.db2.gz QWWWEHSBLUWLTG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486234 625120915 /nfs/dbraw/zinc/12/09/15/625120915.db2.gz QWWWEHSBLUWLTG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486234 625120916 /nfs/dbraw/zinc/12/09/16/625120916.db2.gz QWWWEHSBLUWLTG-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328877372 625140928 /nfs/dbraw/zinc/14/09/28/625140928.db2.gz IMUSQUBLCBIRPZ-QGZVFWFLSA-N 2 1 323.481 2.054 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452054 625277533 /nfs/dbraw/zinc/27/75/33/625277533.db2.gz VTVPCWJZPQWYBY-KRWDZBQOSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027693683 634447970 /nfs/dbraw/zinc/44/79/70/634447970.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027693683 634447971 /nfs/dbraw/zinc/44/79/71/634447971.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027693683 634447975 /nfs/dbraw/zinc/44/79/75/634447975.db2.gz GKEUVCPEZVKOBZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001027693684 634448107 /nfs/dbraw/zinc/44/81/07/634448107.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027693684 634448109 /nfs/dbraw/zinc/44/81/09/634448109.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001027693684 634448112 /nfs/dbraw/zinc/44/81/12/634448112.db2.gz GKEUVCPEZVKOBZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442646 625778610 /nfs/dbraw/zinc/77/86/10/625778610.db2.gz UHAWCXXAHGVDFD-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024477157 625803098 /nfs/dbraw/zinc/80/30/98/625803098.db2.gz KAGYKSVGKNXCNE-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518371 634507671 /nfs/dbraw/zinc/50/76/71/634507671.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518371 634507664 /nfs/dbraw/zinc/50/76/64/634507664.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518371 634507668 /nfs/dbraw/zinc/50/76/68/634507668.db2.gz RPVOQANVJUGUIN-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999351103 634570060 /nfs/dbraw/zinc/57/00/60/634570060.db2.gz CKHULEDUWXGAOB-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103333 634745695 /nfs/dbraw/zinc/74/56/95/634745695.db2.gz YJNFCXPGNGBPPX-INIZCTEOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911910 633142581 /nfs/dbraw/zinc/14/25/81/633142581.db2.gz BQFPGYBFHYQPMT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995999717 633158729 /nfs/dbraw/zinc/15/87/29/633158729.db2.gz ZLKYHPJSGVVPQU-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974581037 633163065 /nfs/dbraw/zinc/16/30/65/633163065.db2.gz VRCLDROZFUWOHR-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC000974729183 633270201 /nfs/dbraw/zinc/27/02/01/633270201.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974729183 633270203 /nfs/dbraw/zinc/27/02/03/633270203.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974729183 633270204 /nfs/dbraw/zinc/27/02/04/633270204.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729183 633270211 /nfs/dbraw/zinc/27/02/11/633270211.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729183 633270213 /nfs/dbraw/zinc/27/02/13/633270213.db2.gz HPRSCGZMWFZDPU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974968920 633380888 /nfs/dbraw/zinc/38/08/88/633380888.db2.gz BYHSNRHJUZAHDR-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974968920 633380895 /nfs/dbraw/zinc/38/08/95/633380895.db2.gz BYHSNRHJUZAHDR-OAHLLOKOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997508517 633817491 /nfs/dbraw/zinc/81/74/91/633817491.db2.gz KIPWFDFJEBJUCB-ZFWWWQNUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997508517 633817495 /nfs/dbraw/zinc/81/74/95/633817495.db2.gz KIPWFDFJEBJUCB-ZFWWWQNUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027472634 633854844 /nfs/dbraw/zinc/85/48/44/633854844.db2.gz VGDJTZBFYOWQNE-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997586763 633885755 /nfs/dbraw/zinc/88/57/55/633885755.db2.gz JGYVQMWWHWQCJM-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977338608 633932411 /nfs/dbraw/zinc/93/24/11/633932411.db2.gz UTOPNARVSKTCDZ-KRWDZBQOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581632 634200322 /nfs/dbraw/zinc/20/03/22/634200322.db2.gz GNUZNFFNBSNAAS-KGLIPLIRSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027581632 634200328 /nfs/dbraw/zinc/20/03/28/634200328.db2.gz GNUZNFFNBSNAAS-KGLIPLIRSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027919017 634965970 /nfs/dbraw/zinc/96/59/70/634965970.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919017 634965972 /nfs/dbraw/zinc/96/59/72/634965972.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919017 634965975 /nfs/dbraw/zinc/96/59/75/634965975.db2.gz SFAOGQAXQRMTOR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980472659 635013763 /nfs/dbraw/zinc/01/37/63/635013763.db2.gz VZIOHOZKVGPARH-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490818 635022109 /nfs/dbraw/zinc/02/21/09/635022109.db2.gz MSBJQXZUECKMOP-SJORKVTESA-N 2 1 301.434 2.008 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490818 635022112 /nfs/dbraw/zinc/02/21/12/635022112.db2.gz MSBJQXZUECKMOP-SJORKVTESA-N 2 1 301.434 2.008 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000680353 635274756 /nfs/dbraw/zinc/27/47/56/635274756.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000680353 635274760 /nfs/dbraw/zinc/27/47/60/635274760.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000680353 635274769 /nfs/dbraw/zinc/27/47/69/635274769.db2.gz UVNDXMNJWCEXAB-QGZVFWFLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681985 635275636 /nfs/dbraw/zinc/27/56/36/635275636.db2.gz GJEYNIODTFUSEZ-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681985 635275638 /nfs/dbraw/zinc/27/56/38/635275638.db2.gz GJEYNIODTFUSEZ-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000681985 635275644 /nfs/dbraw/zinc/27/56/44/635275644.db2.gz GJEYNIODTFUSEZ-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338793 635443711 /nfs/dbraw/zinc/44/37/11/635443711.db2.gz ZSGUADPYIKIHHB-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404618 635488288 /nfs/dbraw/zinc/48/82/88/635488288.db2.gz JKPPVJRFSMBVHG-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCN1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981508605 635508304 /nfs/dbraw/zinc/50/83/04/635508304.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981508605 635508309 /nfs/dbraw/zinc/50/83/09/635508309.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981508605 635508313 /nfs/dbraw/zinc/50/83/13/635508313.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981508605 635508316 /nfs/dbraw/zinc/50/83/16/635508316.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981508605 635508319 /nfs/dbraw/zinc/50/83/19/635508319.db2.gz CHOWVSKCDHTWQF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160159 635630139 /nfs/dbraw/zinc/63/01/39/635630139.db2.gz UMRLRKYLUYOJLW-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827989 635674264 /nfs/dbraw/zinc/67/42/64/635674264.db2.gz VLGCFUQQQOBDCL-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841420 635683346 /nfs/dbraw/zinc/68/33/46/635683346.db2.gz BZAWXNOSCFCHMR-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981841420 635683348 /nfs/dbraw/zinc/68/33/48/635683348.db2.gz BZAWXNOSCFCHMR-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002993896 635876803 /nfs/dbraw/zinc/87/68/03/635876803.db2.gz AYKTWKOXRLOYCY-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152026 635891670 /nfs/dbraw/zinc/89/16/70/635891670.db2.gz PZOTVUGZFZOTIR-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230706 635925690 /nfs/dbraw/zinc/92/56/90/635925690.db2.gz QMPNAMOTTCKMBA-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295708 635954123 /nfs/dbraw/zinc/95/41/23/635954123.db2.gz BKPUJGHLOBXUGD-HDICACEKSA-N 2 1 319.493 2.217 20 30 DEEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388207 636141916 /nfs/dbraw/zinc/14/19/16/636141916.db2.gz CXYTWJVRPCHFLA-WTGUMLROSA-N 2 1 312.457 2.237 20 30 DEEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388209 636142117 /nfs/dbraw/zinc/14/21/17/636142117.db2.gz CXYTWJVRPCHFLA-ZRNYENFQSA-N 2 1 312.457 2.237 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573613 636351219 /nfs/dbraw/zinc/35/12/19/636351219.db2.gz SSSBSIWFFVQERE-CYBMUJFWSA-N 2 1 307.463 2.047 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711905 636801573 /nfs/dbraw/zinc/80/15/73/636801573.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711905 636801577 /nfs/dbraw/zinc/80/15/77/636801577.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711905 636801583 /nfs/dbraw/zinc/80/15/83/636801583.db2.gz WTIGNUBTDSGAOM-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711903 636801714 /nfs/dbraw/zinc/80/17/14/636801714.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711903 636801717 /nfs/dbraw/zinc/80/17/17/636801717.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711903 636801720 /nfs/dbraw/zinc/80/17/20/636801720.db2.gz WTIGNUBTDSGAOM-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918330 636849858 /nfs/dbraw/zinc/84/98/58/636849858.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918330 636849861 /nfs/dbraw/zinc/84/98/61/636849861.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918330 636849864 /nfs/dbraw/zinc/84/98/64/636849864.db2.gz FGITZAQVBQJNRD-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919362 636853394 /nfs/dbraw/zinc/85/33/94/636853394.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919362 636853398 /nfs/dbraw/zinc/85/33/98/636853398.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919362 636853402 /nfs/dbraw/zinc/85/34/02/636853402.db2.gz UOOHWMZEERBNAF-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CN(Cc1csc(C#N)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459712 637053559 /nfs/dbraw/zinc/05/35/59/637053559.db2.gz MCLZEJGPTSFWHD-MRXNPFEDSA-N 2 1 318.490 2.220 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892466 637126002 /nfs/dbraw/zinc/12/60/02/637126002.db2.gz CLDPDZFAAQIQEX-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892466 637126004 /nfs/dbraw/zinc/12/60/04/637126004.db2.gz CLDPDZFAAQIQEX-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892466 637126008 /nfs/dbraw/zinc/12/60/08/637126008.db2.gz CLDPDZFAAQIQEX-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000923413225 637166759 /nfs/dbraw/zinc/16/67/59/637166759.db2.gz FAQPFEJXLBBZOY-FUHWJXTLSA-N 2 1 301.434 2.289 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000764454848 640638340 /nfs/dbraw/zinc/63/83/40/640638340.db2.gz ADMQCRQWRSRCRP-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000764506118 640648660 /nfs/dbraw/zinc/64/86/60/640648660.db2.gz CKORBCAOKSTJTJ-HNNXBMFYSA-N 2 1 317.433 2.136 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000989775182 641225009 /nfs/dbraw/zinc/22/50/09/641225009.db2.gz PDMQANHLFGLCEP-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814065 643463784 /nfs/dbraw/zinc/46/37/84/643463784.db2.gz JROWIWZGPGCTLU-INIZCTEOSA-N 2 1 305.466 2.171 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621271 /nfs/dbraw/zinc/62/12/71/643621271.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621277 /nfs/dbraw/zinc/62/12/77/643621277.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991044981 643621280 /nfs/dbraw/zinc/62/12/80/643621280.db2.gz SENJBIKSXWOVBZ-ZHALLVOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905095035 643798925 /nfs/dbraw/zinc/79/89/25/643798925.db2.gz HIXFENZVQDSUPL-RTBURBONSA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000910447959 645457038 /nfs/dbraw/zinc/45/70/38/645457038.db2.gz BKNGWTRZPFSCBR-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000910447959 645457040 /nfs/dbraw/zinc/45/70/40/645457040.db2.gz BKNGWTRZPFSCBR-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991619177 646547767 /nfs/dbraw/zinc/54/77/67/646547767.db2.gz FAJIUISTOYODNO-AEFFLSMTSA-N 2 1 310.401 2.247 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169377 646882658 /nfs/dbraw/zinc/88/26/58/646882658.db2.gz QPADAFCNQRKGKE-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169377 646882660 /nfs/dbraw/zinc/88/26/60/646882660.db2.gz QPADAFCNQRKGKE-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185650 646891882 /nfs/dbraw/zinc/89/18/82/646891882.db2.gz CGKZYVMQGXOLRC-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185650 646891890 /nfs/dbraw/zinc/89/18/90/646891890.db2.gz CGKZYVMQGXOLRC-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282911 646927069 /nfs/dbraw/zinc/92/70/69/646927069.db2.gz JLQSFMRMBNFKOC-WMZOPIPTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@H]12 ZINC000992446240 647012411 /nfs/dbraw/zinc/01/24/11/647012411.db2.gz MEMJMEIDCXPUID-WMZOPIPTSA-N 2 1 316.449 2.340 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992821441 647281540 /nfs/dbraw/zinc/28/15/40/647281540.db2.gz VJLQGDWTRGUZIM-YESZJQIVSA-N 2 1 319.493 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153437703 647462210 /nfs/dbraw/zinc/46/22/10/647462210.db2.gz QHCLFNPBZFQBLR-INIZCTEOSA-N 2 1 302.466 2.235 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993325179 647606359 /nfs/dbraw/zinc/60/63/59/647606359.db2.gz HPPBKJPFIIBDLQ-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993602665 647704383 /nfs/dbraw/zinc/70/43/83/647704383.db2.gz AVVRYAQGNQSKOF-CVEARBPZSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993602665 647704386 /nfs/dbraw/zinc/70/43/86/647704386.db2.gz AVVRYAQGNQSKOF-CVEARBPZSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934978 /nfs/dbraw/zinc/93/49/78/648934978.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934979 /nfs/dbraw/zinc/93/49/79/648934979.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736142 648934981 /nfs/dbraw/zinc/93/49/81/648934981.db2.gz AGUHQUWOGXOREE-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865205 648957747 /nfs/dbraw/zinc/95/77/47/648957747.db2.gz UJYXJPGAKMKBBC-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896060 648964523 /nfs/dbraw/zinc/96/45/23/648964523.db2.gz RMNYYEYVCLMTLZ-MRXNPFEDSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894400 648968367 /nfs/dbraw/zinc/96/83/67/648968367.db2.gz ZMTNDULRTABQBI-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894400 648968368 /nfs/dbraw/zinc/96/83/68/648968368.db2.gz ZMTNDULRTABQBI-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033868 648990541 /nfs/dbraw/zinc/99/05/41/648990541.db2.gz WWPWZGAJXAAOMT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033868 648990544 /nfs/dbraw/zinc/99/05/44/648990544.db2.gz WWPWZGAJXAAOMT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033868 648990547 /nfs/dbraw/zinc/99/05/47/648990547.db2.gz WWPWZGAJXAAOMT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598439 649257288 /nfs/dbraw/zinc/25/72/88/649257288.db2.gz XNBJSBVVDYSIRS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943287912 649359121 /nfs/dbraw/zinc/35/91/21/649359121.db2.gz LHEGBGVNSOQULE-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943287912 649359122 /nfs/dbraw/zinc/35/91/22/649359122.db2.gz LHEGBGVNSOQULE-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575172 649650484 /nfs/dbraw/zinc/65/04/84/649650484.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575172 649650485 /nfs/dbraw/zinc/65/04/85/649650485.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575172 649650487 /nfs/dbraw/zinc/65/04/87/649650487.db2.gz QTELGCVOYWXCBD-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868412 652473268 /nfs/dbraw/zinc/47/32/68/652473268.db2.gz SBKBSUJFCDBKFJ-INIZCTEOSA-N 2 1 319.493 2.006 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000304792567 685262262 /nfs/dbraw/zinc/26/22/62/685262262.db2.gz LCKWDTWOJWNUNG-JKSUJKDBSA-N 2 1 318.465 2.151 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176787 684058241 /nfs/dbraw/zinc/05/82/41/684058241.db2.gz LOHFNXRVNNSZIN-KRWDZBQOSA-N 2 1 302.466 2.235 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000104154002 684058469 /nfs/dbraw/zinc/05/84/69/684058469.db2.gz XVCGZEBVPGZWIO-AWEZNQCLSA-N 2 1 318.421 2.059 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148711 693863234 /nfs/dbraw/zinc/86/32/34/693863234.db2.gz USJKRABTFOKSFJ-WMZOPIPTSA-N 2 1 307.482 2.073 20 30 DEEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)C)c1cccc(OC)c1 ZINC000303783667 685234109 /nfs/dbraw/zinc/23/41/09/685234109.db2.gz OLZGYOREIQPNEW-MRXNPFEDSA-N 2 1 306.454 2.391 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784026 685234300 /nfs/dbraw/zinc/23/43/00/685234300.db2.gz OWVAVGVULMLMNE-GFCCVEGCSA-N 2 1 312.820 2.368 20 30 DEEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303870845 685236216 /nfs/dbraw/zinc/23/62/16/685236216.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303870845 685236218 /nfs/dbraw/zinc/23/62/18/685236218.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303870845 685236221 /nfs/dbraw/zinc/23/62/21/685236221.db2.gz FOYYYELWTLEJSP-DLBZAZTESA-N 3 1 323.529 2.030 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000303877673 685236574 /nfs/dbraw/zinc/23/65/74/685236574.db2.gz FMYSXLPBUNEIHA-JKSUJKDBSA-N 2 1 302.466 2.396 20 30 DEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303975222 685241096 /nfs/dbraw/zinc/24/10/96/685241096.db2.gz IVVRMNRGHPWFGB-GFCCVEGCSA-N 2 1 308.426 2.161 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303981013 685241526 /nfs/dbraw/zinc/24/15/26/685241526.db2.gz OPMFBVINCRACDM-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000303981013 685241534 /nfs/dbraw/zinc/24/15/34/685241534.db2.gz OPMFBVINCRACDM-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000303981013 685241540 /nfs/dbraw/zinc/24/15/40/685241540.db2.gz OPMFBVINCRACDM-UHFFFAOYSA-N 2 1 317.481 2.003 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016687262 687682587 /nfs/dbraw/zinc/68/25/87/687682587.db2.gz GFRRHPJFZUQSKK-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820270 687709561 /nfs/dbraw/zinc/70/95/61/687709561.db2.gz PVTCQBHZGSDXLG-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017658557 687934258 /nfs/dbraw/zinc/93/42/58/687934258.db2.gz HHJFKSPEQFAAPH-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017658557 687934260 /nfs/dbraw/zinc/93/42/60/687934260.db2.gz HHJFKSPEQFAAPH-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017658557 687934261 /nfs/dbraw/zinc/93/42/61/687934261.db2.gz HHJFKSPEQFAAPH-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017658557 687934263 /nfs/dbraw/zinc/93/42/63/687934263.db2.gz HHJFKSPEQFAAPH-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017659672 687934422 /nfs/dbraw/zinc/93/44/22/687934422.db2.gz YBNKTVREVXUHKW-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017659672 687934425 /nfs/dbraw/zinc/93/44/25/687934425.db2.gz YBNKTVREVXUHKW-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659672 687934428 /nfs/dbraw/zinc/93/44/28/687934428.db2.gz YBNKTVREVXUHKW-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093873 688052611 /nfs/dbraw/zinc/05/26/11/688052611.db2.gz QIPZUIQMQSAGGI-HDICACEKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310866 688107394 /nfs/dbraw/zinc/10/73/94/688107394.db2.gz SHOVEPLMQLIIQC-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001019076215 688281019 /nfs/dbraw/zinc/28/10/19/688281019.db2.gz QVWZGBYJQSEEQL-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454502 689155606 /nfs/dbraw/zinc/15/56/06/689155606.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454502 689155609 /nfs/dbraw/zinc/15/56/09/689155609.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454502 689155613 /nfs/dbraw/zinc/15/56/13/689155613.db2.gz VJTPFEVXOHONLY-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488733 689164909 /nfs/dbraw/zinc/16/49/09/689164909.db2.gz PHKFMHIHFBOBHX-HOTGVXAUSA-N 2 1 310.401 2.118 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488733 689164910 /nfs/dbraw/zinc/16/49/10/689164910.db2.gz PHKFMHIHFBOBHX-HOTGVXAUSA-N 2 1 310.401 2.118 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143817 689402489 /nfs/dbraw/zinc/40/24/89/689402489.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143817 689402491 /nfs/dbraw/zinc/40/24/91/689402491.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143817 689402495 /nfs/dbraw/zinc/40/24/95/689402495.db2.gz MJXALEGFYZKLRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033147085 689404714 /nfs/dbraw/zinc/40/47/14/689404714.db2.gz SAIYRIAQFPWYAE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033147085 689404716 /nfs/dbraw/zinc/40/47/16/689404716.db2.gz SAIYRIAQFPWYAE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033147085 689404719 /nfs/dbraw/zinc/40/47/19/689404719.db2.gz SAIYRIAQFPWYAE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033466012 689510826 /nfs/dbraw/zinc/51/08/26/689510826.db2.gz BNUVRYXPRKKONL-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467942 689511610 /nfs/dbraw/zinc/51/16/10/689511610.db2.gz UVEGRNCBZAIJMZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033573977 689547662 /nfs/dbraw/zinc/54/76/62/689547662.db2.gz KYOJIQWKOHUVEY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573977 689547664 /nfs/dbraw/zinc/54/76/64/689547664.db2.gz KYOJIQWKOHUVEY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573977 689547666 /nfs/dbraw/zinc/54/76/66/689547666.db2.gz KYOJIQWKOHUVEY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573977 689547667 /nfs/dbraw/zinc/54/76/67/689547667.db2.gz KYOJIQWKOHUVEY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856204 689640583 /nfs/dbraw/zinc/64/05/83/689640583.db2.gz SBNRXJLIQKQIMX-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856204 689640584 /nfs/dbraw/zinc/64/05/84/689640584.db2.gz SBNRXJLIQKQIMX-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034241463 689777607 /nfs/dbraw/zinc/77/76/07/689777607.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241463 689777610 /nfs/dbraw/zinc/77/76/10/689777610.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241463 689777614 /nfs/dbraw/zinc/77/76/14/689777614.db2.gz XVZGZXVPZINEHI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437052 689850945 /nfs/dbraw/zinc/85/09/45/689850945.db2.gz CZQCMXRSUMIMEP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437052 689850948 /nfs/dbraw/zinc/85/09/48/689850948.db2.gz CZQCMXRSUMIMEP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034437052 689850952 /nfs/dbraw/zinc/85/09/52/689850952.db2.gz CZQCMXRSUMIMEP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001034482084 689867488 /nfs/dbraw/zinc/86/74/88/689867488.db2.gz YYBBLWLMQKAIDU-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034482084 689867490 /nfs/dbraw/zinc/86/74/90/689867490.db2.gz YYBBLWLMQKAIDU-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034482084 689867492 /nfs/dbraw/zinc/86/74/92/689867492.db2.gz YYBBLWLMQKAIDU-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034482084 689867495 /nfs/dbraw/zinc/86/74/95/689867495.db2.gz YYBBLWLMQKAIDU-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034486181 689869730 /nfs/dbraw/zinc/86/97/30/689869730.db2.gz XVDWPJFPHUAAGH-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034486181 689869735 /nfs/dbraw/zinc/86/97/35/689869735.db2.gz XVDWPJFPHUAAGH-HNNXBMFYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000876711933 689912100 /nfs/dbraw/zinc/91/21/00/689912100.db2.gz JIPIXHCVVUEZFQ-HNNXBMFYSA-N 2 1 309.841 2.095 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876731678 689918936 /nfs/dbraw/zinc/91/89/36/689918936.db2.gz MZKXCVYOWLUDSB-AWEZNQCLSA-N 2 1 301.862 2.035 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034750835 689940381 /nfs/dbraw/zinc/94/03/81/689940381.db2.gz ZJZZKRWNLTXYEH-ULQDDVLXSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355054 690792815 /nfs/dbraw/zinc/79/28/15/690792815.db2.gz XISNZSVKDRGIQK-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355054 690792818 /nfs/dbraw/zinc/79/28/18/690792818.db2.gz XISNZSVKDRGIQK-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355054 690792820 /nfs/dbraw/zinc/79/28/20/690792820.db2.gz XISNZSVKDRGIQK-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038355054 690792824 /nfs/dbraw/zinc/79/28/24/690792824.db2.gz XISNZSVKDRGIQK-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001038443125 690824448 /nfs/dbraw/zinc/82/44/48/690824448.db2.gz GEILTDUDIMYRIB-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443125 690824450 /nfs/dbraw/zinc/82/44/50/690824450.db2.gz GEILTDUDIMYRIB-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001038443125 690824454 /nfs/dbraw/zinc/82/44/54/690824454.db2.gz GEILTDUDIMYRIB-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557577 690858212 /nfs/dbraw/zinc/85/82/12/690858212.db2.gz VPGUFEAAFLSSJV-QGZVFWFLSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038700204 690900937 /nfs/dbraw/zinc/90/09/37/690900937.db2.gz PLXRGSJCJHVNBX-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036502 /nfs/dbraw/zinc/03/65/02/691036502.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036504 /nfs/dbraw/zinc/03/65/04/691036504.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039163559 691036506 /nfs/dbraw/zinc/03/65/06/691036506.db2.gz CPMQTBTVJZDCAG-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264029 691222271 /nfs/dbraw/zinc/22/22/71/691222271.db2.gz KVVLBMXRUCTLJT-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264029 691222274 /nfs/dbraw/zinc/22/22/74/691222274.db2.gz KVVLBMXRUCTLJT-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264029 691222276 /nfs/dbraw/zinc/22/22/76/691222276.db2.gz KVVLBMXRUCTLJT-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849430 691292746 /nfs/dbraw/zinc/29/27/46/691292746.db2.gz REVIFXUYEHTODR-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041301319 691357987 /nfs/dbraw/zinc/35/79/87/691357987.db2.gz LLUKPFOIIAITRI-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301319 691357992 /nfs/dbraw/zinc/35/79/92/691357992.db2.gz LLUKPFOIIAITRI-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301319 691357997 /nfs/dbraw/zinc/35/79/97/691357997.db2.gz LLUKPFOIIAITRI-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537039 691389730 /nfs/dbraw/zinc/38/97/30/691389730.db2.gz TWYZWFNUBINUAK-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041675727 691408421 /nfs/dbraw/zinc/40/84/21/691408421.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675727 691408425 /nfs/dbraw/zinc/40/84/25/691408425.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675727 691408427 /nfs/dbraw/zinc/40/84/27/691408427.db2.gz RQQFFWVQBUPGHQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724584 691417756 /nfs/dbraw/zinc/41/77/56/691417756.db2.gz BHTHEHNFPHVCKJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725277 691418057 /nfs/dbraw/zinc/41/80/57/691418057.db2.gz MUUYKZVFMLQFTA-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832565 691441133 /nfs/dbraw/zinc/44/11/33/691441133.db2.gz BQLZMWGFALUZEF-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832565 691441134 /nfs/dbraw/zinc/44/11/34/691441134.db2.gz BQLZMWGFALUZEF-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844299 691443530 /nfs/dbraw/zinc/44/35/30/691443530.db2.gz GDPXKISEUOYQKN-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094174 691506152 /nfs/dbraw/zinc/50/61/52/691506152.db2.gz QFVBUIPRXOOALD-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042134275 691517473 /nfs/dbraw/zinc/51/74/73/691517473.db2.gz OEMTXMKCNQHYBA-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001044006198 691758349 /nfs/dbraw/zinc/75/83/49/691758349.db2.gz MRPOLWJVSLEFSP-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001044006198 691758352 /nfs/dbraw/zinc/75/83/52/691758352.db2.gz MRPOLWJVSLEFSP-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045462031 691984578 /nfs/dbraw/zinc/98/45/78/691984578.db2.gz WPWKPZAEJREYSM-OAHLLOKOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046314731 692148987 /nfs/dbraw/zinc/14/89/87/692148987.db2.gz NUBDDBHLTNYCQQ-SFHVURJKSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330496 692155311 /nfs/dbraw/zinc/15/53/11/692155311.db2.gz LGQPRSKGUBFNAZ-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330496 692155313 /nfs/dbraw/zinc/15/53/13/692155313.db2.gz LGQPRSKGUBFNAZ-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330496 692155316 /nfs/dbraw/zinc/15/53/16/692155316.db2.gz LGQPRSKGUBFNAZ-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046450329 692190843 /nfs/dbraw/zinc/19/08/43/692190843.db2.gz SEPCJJYZEKJJKP-GOSISDBHSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912730 692721509 /nfs/dbraw/zinc/72/15/09/692721509.db2.gz PGRXIGXTZMGMNV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912730 692721510 /nfs/dbraw/zinc/72/15/10/692721510.db2.gz PGRXIGXTZMGMNV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912730 692721511 /nfs/dbraw/zinc/72/15/11/692721511.db2.gz PGRXIGXTZMGMNV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049234054 692796728 /nfs/dbraw/zinc/79/67/28/692796728.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234054 692796729 /nfs/dbraw/zinc/79/67/29/692796729.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049234054 692796732 /nfs/dbraw/zinc/79/67/32/692796732.db2.gz XJIUIYVKOZCUIG-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049370354 692859003 /nfs/dbraw/zinc/85/90/03/692859003.db2.gz UYKWBFRVRSPXIE-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049370354 692859028 /nfs/dbraw/zinc/85/90/28/692859028.db2.gz UYKWBFRVRSPXIE-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049370354 692859045 /nfs/dbraw/zinc/85/90/45/692859045.db2.gz UYKWBFRVRSPXIE-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535936 692915410 /nfs/dbraw/zinc/91/54/10/692915410.db2.gz LEUQRJONYWFYRV-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535936 692915413 /nfs/dbraw/zinc/91/54/13/692915413.db2.gz LEUQRJONYWFYRV-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535936 692915415 /nfs/dbraw/zinc/91/54/15/692915415.db2.gz LEUQRJONYWFYRV-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049568764 692924800 /nfs/dbraw/zinc/92/48/00/692924800.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568764 692924804 /nfs/dbraw/zinc/92/48/04/692924804.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049568764 692924807 /nfs/dbraw/zinc/92/48/07/692924807.db2.gz WERSTRCQAFESDE-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049866758 693030063 /nfs/dbraw/zinc/03/00/63/693030063.db2.gz JHLDTWKCHJCMKS-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001049866758 693030066 /nfs/dbraw/zinc/03/00/66/693030066.db2.gz JHLDTWKCHJCMKS-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001049866758 693030069 /nfs/dbraw/zinc/03/00/69/693030069.db2.gz JHLDTWKCHJCMKS-AOIWGVFYSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052499340 693550569 /nfs/dbraw/zinc/55/05/69/693550569.db2.gz UBABXUXEUZVPGE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499340 693550570 /nfs/dbraw/zinc/55/05/70/693550570.db2.gz UBABXUXEUZVPGE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052499340 693550572 /nfs/dbraw/zinc/55/05/72/693550572.db2.gz UBABXUXEUZVPGE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592776 693574425 /nfs/dbraw/zinc/57/44/25/693574425.db2.gz YUYUEWFSSPOWOS-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765437 693615830 /nfs/dbraw/zinc/61/58/30/693615830.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765437 693615833 /nfs/dbraw/zinc/61/58/33/693615833.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765437 693615835 /nfs/dbraw/zinc/61/58/35/693615835.db2.gz ZKBHPALONZORGS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC001346250648 1150959231 /nfs/dbraw/zinc/95/92/31/1150959231.db2.gz GWPPYOCPUHYLGO-KRWDZBQOSA-N 2 1 308.372 2.076 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001402782979 1162470945 /nfs/dbraw/zinc/47/09/45/1162470945.db2.gz PHPCLRZUNAEZOU-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001381136721 1152923274 /nfs/dbraw/zinc/92/32/74/1152923274.db2.gz VBPVKWLFZXKXHV-UONOGXRCSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001381136721 1152923277 /nfs/dbraw/zinc/92/32/77/1152923277.db2.gz VBPVKWLFZXKXHV-UONOGXRCSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001391834934 1156812755 /nfs/dbraw/zinc/81/27/55/1156812755.db2.gz UVWKWBXJMYXUNR-HDJSIYSDSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)CN(CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001372816843 1156801607 /nfs/dbraw/zinc/80/16/07/1156801607.db2.gz CZDLMGISQGFPES-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001394026214 1158171769 /nfs/dbraw/zinc/17/17/69/1158171769.db2.gz QFEUGKWUYWFRIH-UHFFFAOYSA-N 2 1 312.845 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001375598447 1158824165 /nfs/dbraw/zinc/82/41/65/1158824165.db2.gz VWZSJLADOBCUEI-HIFRSBDPSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001400170298 1161675266 /nfs/dbraw/zinc/67/52/66/1161675266.db2.gz USXUISWUYMQEPE-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400170298 1161675273 /nfs/dbraw/zinc/67/52/73/1161675273.db2.gz USXUISWUYMQEPE-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001400170298 1161675277 /nfs/dbraw/zinc/67/52/77/1161675277.db2.gz USXUISWUYMQEPE-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001401971229 1162201781 /nfs/dbraw/zinc/20/17/81/1162201781.db2.gz RYOVNODRYZSZKQ-CQSZACIVSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001407032619 1164934035 /nfs/dbraw/zinc/93/40/35/1164934035.db2.gz RSAUUESCVVPPQU-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001407032619 1164934038 /nfs/dbraw/zinc/93/40/38/1164934038.db2.gz RSAUUESCVVPPQU-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001407032619 1164934041 /nfs/dbraw/zinc/93/40/41/1164934041.db2.gz RSAUUESCVVPPQU-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001407032619 1164934044 /nfs/dbraw/zinc/93/40/44/1164934044.db2.gz RSAUUESCVVPPQU-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001407524719 1165181466 /nfs/dbraw/zinc/18/14/66/1165181466.db2.gz AGJCLKGTCMSFOA-QDMKHBRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001418316409 1167571929 /nfs/dbraw/zinc/57/19/29/1167571929.db2.gz IFTBHYPTBHAKMG-UKRRQHHQSA-N 2 1 309.841 2.136 20 30 DEEDMP C=C(Cl)CN1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418654410 1167866532 /nfs/dbraw/zinc/86/65/32/1167866532.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001418654410 1167866538 /nfs/dbraw/zinc/86/65/38/1167866538.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418654410 1167866541 /nfs/dbraw/zinc/86/65/41/1167866541.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418654410 1167866544 /nfs/dbraw/zinc/86/65/44/1167866544.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418654410 1167866546 /nfs/dbraw/zinc/86/65/46/1167866546.db2.gz AZNCZIGGSUOKMD-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001422665418 1172799973 /nfs/dbraw/zinc/79/99/73/1172799973.db2.gz BLRNBSYPNFBWAU-ZDUSSCGKSA-N 2 1 315.889 2.486 20 30 DEEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458262 1178585520 /nfs/dbraw/zinc/58/55/20/1178585520.db2.gz XPXOSLRMIHYJSK-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458262 1178585537 /nfs/dbraw/zinc/58/55/37/1178585537.db2.gz XPXOSLRMIHYJSK-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458262 1178585553 /nfs/dbraw/zinc/58/55/53/1178585553.db2.gz XPXOSLRMIHYJSK-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001434458262 1178585563 /nfs/dbraw/zinc/58/55/63/1178585563.db2.gz XPXOSLRMIHYJSK-HKUYNNGSSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001438730885 1180800350 /nfs/dbraw/zinc/80/03/50/1180800350.db2.gz FQBNSBAHEWQOMS-UKRRQHHQSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001438771288 1180808596 /nfs/dbraw/zinc/80/85/96/1180808596.db2.gz PJJDFDWRATYUMZ-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001441850183 1182213941 /nfs/dbraw/zinc/21/39/41/1182213941.db2.gz AHHXETNOROANMB-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001446471633 1184363134 /nfs/dbraw/zinc/36/31/34/1184363134.db2.gz XXMLQRXGWLBMLI-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249520 782569370 /nfs/dbraw/zinc/56/93/70/782569370.db2.gz JLPFVDOLPDTFBG-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106250246 782571372 /nfs/dbraw/zinc/57/13/72/782571372.db2.gz ZKJUPDIEJVKNKM-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964031 779575808 /nfs/dbraw/zinc/57/58/08/779575808.db2.gz SNZXCTUSTWVEHA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964031 779575811 /nfs/dbraw/zinc/57/58/11/779575811.db2.gz SNZXCTUSTWVEHA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964031 779575817 /nfs/dbraw/zinc/57/58/17/779575817.db2.gz SNZXCTUSTWVEHA-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570939 782790640 /nfs/dbraw/zinc/79/06/40/782790640.db2.gz FQTNTDFIPCTRPS-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665109 782839636 /nfs/dbraw/zinc/83/96/36/782839636.db2.gz IKAUUVKOKMSUCP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420155 783086907 /nfs/dbraw/zinc/08/69/07/783086907.db2.gz KFUVJRYIZVKXRJ-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420155 783086918 /nfs/dbraw/zinc/08/69/18/783086918.db2.gz KFUVJRYIZVKXRJ-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420155 783086926 /nfs/dbraw/zinc/08/69/26/783086926.db2.gz KFUVJRYIZVKXRJ-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050381 790418206 /nfs/dbraw/zinc/41/82/06/790418206.db2.gz XMQHXMLKSKISHI-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050381 790418213 /nfs/dbraw/zinc/41/82/13/790418213.db2.gz XMQHXMLKSKISHI-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050381 790418220 /nfs/dbraw/zinc/41/82/20/790418220.db2.gz XMQHXMLKSKISHI-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167233006 776785974 /nfs/dbraw/zinc/78/59/74/776785974.db2.gz XSVMFQZUPINEKB-MRXNPFEDSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679704 778017606 /nfs/dbraw/zinc/01/76/06/778017606.db2.gz MTEKCSXXLOKERA-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621365 779382584 /nfs/dbraw/zinc/38/25/84/779382584.db2.gz RKWGLAGHMNDDAT-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749950 779437036 /nfs/dbraw/zinc/43/70/36/779437036.db2.gz JRDXNOHHFGDBDB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)[C@H]1CC ZINC001087830747 779473130 /nfs/dbraw/zinc/47/31/30/779473130.db2.gz XTNDDWGVINEXIR-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087830747 779473131 /nfs/dbraw/zinc/47/31/31/779473131.db2.gz XTNDDWGVINEXIR-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001087830747 779473134 /nfs/dbraw/zinc/47/31/34/779473134.db2.gz XTNDDWGVINEXIR-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130430 779719405 /nfs/dbraw/zinc/71/94/05/779719405.db2.gz NBVXOGYZLLGAQT-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(C)C)C1 ZINC001088329249 779966816 /nfs/dbraw/zinc/96/68/16/779966816.db2.gz REMLOFACCKSOCY-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(C)C)C1 ZINC001088329249 779966820 /nfs/dbraw/zinc/96/68/20/779966820.db2.gz REMLOFACCKSOCY-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000985646730 779983396 /nfs/dbraw/zinc/98/33/96/779983396.db2.gz KIRDNTFIWCUAJY-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000985646730 779983401 /nfs/dbraw/zinc/98/34/01/779983401.db2.gz KIRDNTFIWCUAJY-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000985646730 779983408 /nfs/dbraw/zinc/98/34/08/779983408.db2.gz KIRDNTFIWCUAJY-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567592 780493161 /nfs/dbraw/zinc/49/31/61/780493161.db2.gz XJXRGSWNVQCNLA-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572349 780771167 /nfs/dbraw/zinc/77/11/67/780771167.db2.gz OUFQCOINFUAXGS-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572350 780771643 /nfs/dbraw/zinc/77/16/43/780771643.db2.gz OUFQCOINFUAXGS-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418652 781257008 /nfs/dbraw/zinc/25/70/08/781257008.db2.gz IQDMWDARPYFBPR-ZWKOTPCHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106903792 783318302 /nfs/dbraw/zinc/31/83/02/783318302.db2.gz JHGUJDDOJLPVSQ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657203 783330314 /nfs/dbraw/zinc/33/03/14/783330314.db2.gz AXMBDGKGZUHUIY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657203 783330322 /nfs/dbraw/zinc/33/03/22/783330322.db2.gz AXMBDGKGZUHUIY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657203 783330331 /nfs/dbraw/zinc/33/03/31/783330331.db2.gz AXMBDGKGZUHUIY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657203 783330341 /nfs/dbraw/zinc/33/03/41/783330341.db2.gz AXMBDGKGZUHUIY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001085333050 783642599 /nfs/dbraw/zinc/64/25/99/783642599.db2.gz XJAYEOTUMITIBQ-NWANDNLSSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092179 783881368 /nfs/dbraw/zinc/88/13/68/783881368.db2.gz WMENSYSLDFZOSA-SUMWQHHRSA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264159 783915026 /nfs/dbraw/zinc/91/50/26/783915026.db2.gz HHKDFWWRNKQRRI-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639039 783915086 /nfs/dbraw/zinc/91/50/86/783915086.db2.gz GVXAQWPPHWBXAV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639039 783915090 /nfs/dbraw/zinc/91/50/90/783915090.db2.gz GVXAQWPPHWBXAV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639039 783915098 /nfs/dbraw/zinc/91/50/98/783915098.db2.gz GVXAQWPPHWBXAV-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709214 784098636 /nfs/dbraw/zinc/09/86/36/784098636.db2.gz XLRTXYWQDJOUKK-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461041 784399694 /nfs/dbraw/zinc/39/96/94/784399694.db2.gz ZIQCFONVNWJTER-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086102039 784410879 /nfs/dbraw/zinc/41/08/79/784410879.db2.gz GNZSADUMJSMAIX-ZNMIVQPWSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553862 784462345 /nfs/dbraw/zinc/46/23/45/784462345.db2.gz QLQBHLUQPGNGMZ-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553862 784462350 /nfs/dbraw/zinc/46/23/50/784462350.db2.gz QLQBHLUQPGNGMZ-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859722 784622908 /nfs/dbraw/zinc/62/29/08/784622908.db2.gz PZEZPVIBPIEVJW-QGZVFWFLSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCN1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC000968859722 784622913 /nfs/dbraw/zinc/62/29/13/784622913.db2.gz PZEZPVIBPIEVJW-QGZVFWFLSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086367000 784624929 /nfs/dbraw/zinc/62/49/29/784624929.db2.gz UDSGGHJMOVGMJA-ULQDDVLXSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928580 784655841 /nfs/dbraw/zinc/65/58/41/784655841.db2.gz OYHHSSVDPDCXCV-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928580 784655847 /nfs/dbraw/zinc/65/58/47/784655847.db2.gz OYHHSSVDPDCXCV-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928580 784655854 /nfs/dbraw/zinc/65/58/54/784655854.db2.gz OYHHSSVDPDCXCV-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086502809 784798430 /nfs/dbraw/zinc/79/84/30/784798430.db2.gz PCAMXUOMBQXQDL-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008267657 785157548 /nfs/dbraw/zinc/15/75/48/785157548.db2.gz BZZCVQWQZVCBAH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008267657 785157554 /nfs/dbraw/zinc/15/75/54/785157554.db2.gz BZZCVQWQZVCBAH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008267657 785157561 /nfs/dbraw/zinc/15/75/61/785157561.db2.gz BZZCVQWQZVCBAH-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717585 785503428 /nfs/dbraw/zinc/50/34/28/785503428.db2.gz PELRVAQJWNBHJN-JYJNAYRXSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248968 791126692 /nfs/dbraw/zinc/12/66/92/791126692.db2.gz ZNLAFSQFVTZZFW-JKSUJKDBSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293465 785794724 /nfs/dbraw/zinc/79/47/24/785794724.db2.gz CQYLEKJWROSERZ-OWSLCNJRSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1ccnc1)C2 ZINC001109431283 785872784 /nfs/dbraw/zinc/87/27/84/785872784.db2.gz HEMBZGMEUAIEOG-LTIDMASMSA-N 2 1 316.449 2.378 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001112920804 786297189 /nfs/dbraw/zinc/29/71/89/786297189.db2.gz LBFLSZFPDINHFZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979838 786341080 /nfs/dbraw/zinc/34/10/80/786341080.db2.gz IYYJSGASMNRKTA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113348626 786540084 /nfs/dbraw/zinc/54/00/84/786540084.db2.gz VVGONRSSULEMHR-IAGOWNOFSA-N 2 1 309.498 2.299 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402901 786569794 /nfs/dbraw/zinc/56/97/94/786569794.db2.gz KCRXHQCDRNUDHE-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419433 786583109 /nfs/dbraw/zinc/58/31/09/786583109.db2.gz RFIWFJIQFXZKAF-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCc1cc(C)c[nH+]c1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170274551 786884730 /nfs/dbraw/zinc/88/47/30/786884730.db2.gz YVYIQWLEVYQKCR-INMHGKMJSA-N 2 1 305.422 2.255 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026808 787346818 /nfs/dbraw/zinc/34/68/18/787346818.db2.gz HPLDETPMEMOQCZ-HOTGVXAUSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026808 787346826 /nfs/dbraw/zinc/34/68/26/787346826.db2.gz HPLDETPMEMOQCZ-HOTGVXAUSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210582 787965949 /nfs/dbraw/zinc/96/59/49/787965949.db2.gz IGQZGBDGOYGNCQ-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212273 787968167 /nfs/dbraw/zinc/96/81/67/787968167.db2.gz VWGHEVVZGRFEFV-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405949 788097632 /nfs/dbraw/zinc/09/76/32/788097632.db2.gz RXAFAEMPABWMLR-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405949 788097636 /nfs/dbraw/zinc/09/76/36/788097636.db2.gz RXAFAEMPABWMLR-ZJPYXAASSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524509 788113817 /nfs/dbraw/zinc/11/38/17/788113817.db2.gz IEPJJABKMHEOQV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132889242 788220183 /nfs/dbraw/zinc/22/01/83/788220183.db2.gz YPAUFWRQDFNDRQ-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976777 788246125 /nfs/dbraw/zinc/24/61/25/788246125.db2.gz GQBJSUMSXJUXBB-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976776 788246151 /nfs/dbraw/zinc/24/61/51/788246151.db2.gz GQBJSUMSXJUXBB-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133143167 788294779 /nfs/dbraw/zinc/29/47/79/788294779.db2.gz RJTSYHQDMNRMPV-JKSUJKDBSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133225070 788322583 /nfs/dbraw/zinc/32/25/83/788322583.db2.gz GCUBHZZXWYBKMQ-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914386 788518416 /nfs/dbraw/zinc/51/84/16/788518416.db2.gz OSEWELMKSIJEET-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717322 788758706 /nfs/dbraw/zinc/75/87/06/788758706.db2.gz RESPETNELGRBFB-LZLYRXPVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001086734484 789353307 /nfs/dbraw/zinc/35/33/07/789353307.db2.gz JBRAOJHGGADEGX-ZNMIVQPWSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678387 789444105 /nfs/dbraw/zinc/44/41/05/789444105.db2.gz DLXXCSYWDSGYCE-HUUCEWRRSA-N 2 1 306.454 2.421 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645886 789838796 /nfs/dbraw/zinc/83/87/96/789838796.db2.gz OSPAPJGLXPQSSE-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820674 789928706 /nfs/dbraw/zinc/92/87/06/789928706.db2.gz BQTGGVANJHNOMA-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820674 789928700 /nfs/dbraw/zinc/92/87/00/789928700.db2.gz BQTGGVANJHNOMA-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820674 789928712 /nfs/dbraw/zinc/92/87/12/789928712.db2.gz BQTGGVANJHNOMA-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832278 791333785 /nfs/dbraw/zinc/33/37/85/791333785.db2.gz AOCRHWUJGFSTFA-AJNGGQMLSA-N 2 1 313.873 2.048 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147787882 791623815 /nfs/dbraw/zinc/62/38/15/791623815.db2.gz LETWPZAMENNBKQ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147787882 791623817 /nfs/dbraw/zinc/62/38/17/791623817.db2.gz LETWPZAMENNBKQ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001147787882 791623824 /nfs/dbraw/zinc/62/38/24/791623824.db2.gz LETWPZAMENNBKQ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205156 791706684 /nfs/dbraw/zinc/70/66/84/791706684.db2.gz ANHGPLUWHNVWGG-INIZCTEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226512 791715732 /nfs/dbraw/zinc/71/57/32/791715732.db2.gz HQVPMWMFXMAJRX-IAGOWNOFSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086882640 791835129 /nfs/dbraw/zinc/83/51/29/791835129.db2.gz BZOQXSZRYJFLIK-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025063 792204521 /nfs/dbraw/zinc/20/45/21/792204521.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025063 792204529 /nfs/dbraw/zinc/20/45/29/792204529.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025063 792204538 /nfs/dbraw/zinc/20/45/38/792204538.db2.gz PJWFGBRBYGVCAF-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519264 792229523 /nfs/dbraw/zinc/22/95/23/792229523.db2.gz GZKBPIOFEGQMLK-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551890 792239612 /nfs/dbraw/zinc/23/96/12/792239612.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551890 792239620 /nfs/dbraw/zinc/23/96/20/792239620.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551890 792239632 /nfs/dbraw/zinc/23/96/32/792239632.db2.gz FRTXRIHMASDQBV-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729639 792816668 /nfs/dbraw/zinc/81/66/68/792816668.db2.gz HIOTZXUBVKHYOG-UHFFFAOYSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449349 792928530 /nfs/dbraw/zinc/92/85/30/792928530.db2.gz MYUNLBPWSSZRMP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449349 792928534 /nfs/dbraw/zinc/92/85/34/792928534.db2.gz MYUNLBPWSSZRMP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449349 792928538 /nfs/dbraw/zinc/92/85/38/792928538.db2.gz MYUNLBPWSSZRMP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272553 793092932 /nfs/dbraw/zinc/09/29/32/793092932.db2.gz QXYVPZIJVPLEMW-AOIWGVFYSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101353061 793132600 /nfs/dbraw/zinc/13/26/00/793132600.db2.gz QXYVPZIJVPLEMW-LMMKCTJWSA-N 2 1 321.509 2.319 20 30 DEEDMP CCCCCCC[C@H](CC)[NH2+]CCC[NH+](CCO)CCO ZINC001172346162 793411512 /nfs/dbraw/zinc/41/15/12/793411512.db2.gz GTESIHNMPOUBPN-KRWDZBQOSA-N 2 1 302.503 2.392 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044790 793485783 /nfs/dbraw/zinc/48/57/83/793485783.db2.gz FNQSSNPLZZBUNG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044790 793485785 /nfs/dbraw/zinc/48/57/85/793485785.db2.gz FNQSSNPLZZBUNG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044790 793485788 /nfs/dbraw/zinc/48/57/88/793485788.db2.gz FNQSSNPLZZBUNG-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288556 793560384 /nfs/dbraw/zinc/56/03/84/793560384.db2.gz JLMYREYEOJXLHB-IXDOHACOSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095009079 793572902 /nfs/dbraw/zinc/57/29/02/793572902.db2.gz UJSJLXKAICHEEW-XHSDSOJGSA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213580 794429461 /nfs/dbraw/zinc/42/94/61/794429461.db2.gz FVJPSGBIHMKGEZ-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275716 794449233 /nfs/dbraw/zinc/44/92/33/794449233.db2.gz ZHPQHOSCHXKEJE-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870759 794508091 /nfs/dbraw/zinc/50/80/91/794508091.db2.gz MPQIHOIBMXOWLI-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870759 794508095 /nfs/dbraw/zinc/50/80/95/794508095.db2.gz MPQIHOIBMXOWLI-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870759 794508098 /nfs/dbraw/zinc/50/80/98/794508098.db2.gz MPQIHOIBMXOWLI-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177017158 794557232 /nfs/dbraw/zinc/55/72/32/794557232.db2.gz ZBIFHEIETZUMHG-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161349 794693021 /nfs/dbraw/zinc/69/30/21/794693021.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161349 794693027 /nfs/dbraw/zinc/69/30/27/794693027.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115161349 794693033 /nfs/dbraw/zinc/69/30/33/794693033.db2.gz CXROZNXWUSKDCT-VQFNDLOPSA-N 2 1 309.498 2.345 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CCCCC1 ZINC001115577942 794828798 /nfs/dbraw/zinc/82/87/98/794828798.db2.gz PSDBTYNTLNYNOT-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CCCCC1 ZINC001115577942 794828805 /nfs/dbraw/zinc/82/88/05/794828805.db2.gz PSDBTYNTLNYNOT-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179587370 795138390 /nfs/dbraw/zinc/13/83/90/795138390.db2.gz ZWTONARKHCMFRM-DZGCQCFKSA-N 2 1 315.889 2.203 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422664 795456080 /nfs/dbraw/zinc/45/60/80/795456080.db2.gz NXMBYBXFOFOVAA-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421867 795456115 /nfs/dbraw/zinc/45/61/15/795456115.db2.gz FPDZZZIGEWWYQP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430148 795458437 /nfs/dbraw/zinc/45/84/37/795458437.db2.gz IPACKNQCANATDL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772899 795686072 /nfs/dbraw/zinc/68/60/72/795686072.db2.gz JYUKRBNOGWPBGS-VFIJXHPYSA-N 2 1 319.493 2.167 20 30 DEEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001121915050 795703122 /nfs/dbraw/zinc/70/31/22/795703122.db2.gz AMYMXMBFFYZQAK-UHFFFAOYSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183869128 795956145 /nfs/dbraw/zinc/95/61/45/795956145.db2.gz RZNIQUXFAGUYNA-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168697 796201190 /nfs/dbraw/zinc/20/11/90/796201190.db2.gz IUYQPJYXAZSJHG-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCOc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC001138346428 796201735 /nfs/dbraw/zinc/20/17/35/796201735.db2.gz DEITVVIHZXBLFR-LJQANCHMSA-N 2 1 314.429 2.235 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305236 796522285 /nfs/dbraw/zinc/52/22/85/796522285.db2.gz SBLSIPIGOCDLGQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305236 796522287 /nfs/dbraw/zinc/52/22/87/796522287.db2.gz SBLSIPIGOCDLGQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305236 796522289 /nfs/dbraw/zinc/52/22/89/796522289.db2.gz SBLSIPIGOCDLGQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282450 796736658 /nfs/dbraw/zinc/73/66/58/796736658.db2.gz GFBOAOAFZYJYHY-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189454533 796833469 /nfs/dbraw/zinc/83/34/69/796833469.db2.gz VKSZCPOTBKOQNW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454533 796833475 /nfs/dbraw/zinc/83/34/75/796833475.db2.gz VKSZCPOTBKOQNW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189454533 796833481 /nfs/dbraw/zinc/83/34/81/796833481.db2.gz VKSZCPOTBKOQNW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742184 797066779 /nfs/dbraw/zinc/06/67/79/797066779.db2.gz BNAZBMNSBNMIOF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190742184 797066785 /nfs/dbraw/zinc/06/67/85/797066785.db2.gz BNAZBMNSBNMIOF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190742184 797066791 /nfs/dbraw/zinc/06/67/91/797066791.db2.gz BNAZBMNSBNMIOF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889415 797102233 /nfs/dbraw/zinc/10/22/33/797102233.db2.gz KASNFTSBVFOSDP-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029470 797126242 /nfs/dbraw/zinc/12/62/42/797126242.db2.gz JCAAIENVNKXGAL-KRWDZBQOSA-N 2 1 316.449 2.017 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153890936 797419053 /nfs/dbraw/zinc/41/90/53/797419053.db2.gz AOVPUVHDJPWAJU-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153890936 797419057 /nfs/dbraw/zinc/41/90/57/797419057.db2.gz AOVPUVHDJPWAJU-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153890936 797419063 /nfs/dbraw/zinc/41/90/63/797419063.db2.gz AOVPUVHDJPWAJU-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153890936 797419066 /nfs/dbraw/zinc/41/90/66/797419066.db2.gz AOVPUVHDJPWAJU-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192680149 797430282 /nfs/dbraw/zinc/43/02/82/797430282.db2.gz LSUKRHOFPHHBEO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099460 797462960 /nfs/dbraw/zinc/46/29/60/797462960.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099460 797462964 /nfs/dbraw/zinc/46/29/64/797462964.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099460 797462967 /nfs/dbraw/zinc/46/29/67/797462967.db2.gz KDDUEINLOYJMAC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856856 797464909 /nfs/dbraw/zinc/46/49/09/797464909.db2.gz FBSNFGPVUPVIAY-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856856 797464914 /nfs/dbraw/zinc/46/49/14/797464914.db2.gz FBSNFGPVUPVIAY-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP CSc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627578 797538257 /nfs/dbraw/zinc/53/82/57/797538257.db2.gz QXQVFGPOIXQZAY-QWHCGFSZSA-N 2 1 304.463 2.482 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481807 797542348 /nfs/dbraw/zinc/54/23/48/797542348.db2.gz VHWRGJNLKRWZRZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876025 797631326 /nfs/dbraw/zinc/63/13/26/797631326.db2.gz JGYWEZKPBKUOFU-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876025 797631332 /nfs/dbraw/zinc/63/13/32/797631332.db2.gz JGYWEZKPBKUOFU-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001155382854 797745099 /nfs/dbraw/zinc/74/50/99/797745099.db2.gz JRJRPJDHCOQRTO-INIZCTEOSA-N 2 1 314.433 2.417 20 30 DEEDMP Cc1ccc(CC#N)c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]1 ZINC001155461136 797762701 /nfs/dbraw/zinc/76/27/01/797762701.db2.gz BGPWMMIMHWLEAJ-OAHLLOKOSA-N 2 1 309.417 2.479 20 30 DEEDMP Cc1[nH+]c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ccc1CC#N ZINC001155596505 797799714 /nfs/dbraw/zinc/79/97/14/797799714.db2.gz IFQOBAMIIKCNFY-WMLDXEAASA-N 2 1 300.406 2.027 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001195652675 797939765 /nfs/dbraw/zinc/93/97/65/797939765.db2.gz SZKAPUYQVVKHPA-OAHLLOKOSA-N 2 1 304.438 2.231 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295997 798036762 /nfs/dbraw/zinc/03/67/62/798036762.db2.gz WVYFACHTFXCKRQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001196295997 798036768 /nfs/dbraw/zinc/03/67/68/798036768.db2.gz WVYFACHTFXCKRQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001196295997 798036775 /nfs/dbraw/zinc/03/67/75/798036775.db2.gz WVYFACHTFXCKRQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157098594 798143076 /nfs/dbraw/zinc/14/30/76/798143076.db2.gz NKVIYXDIDITFHI-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP Cc1c(Cl)c(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001157094776 798143167 /nfs/dbraw/zinc/14/31/67/798143167.db2.gz VXMIMJDJJUHONQ-UHFFFAOYSA-N 2 1 315.208 2.244 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817900 798247850 /nfs/dbraw/zinc/24/78/50/798247850.db2.gz SXRGUJSCGSEPQR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817900 798247852 /nfs/dbraw/zinc/24/78/52/798247852.db2.gz SXRGUJSCGSEPQR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817900 798247855 /nfs/dbraw/zinc/24/78/55/798247855.db2.gz SXRGUJSCGSEPQR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158378114 798397737 /nfs/dbraw/zinc/39/77/37/798397737.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158378114 798397742 /nfs/dbraw/zinc/39/77/42/798397742.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158378114 798397747 /nfs/dbraw/zinc/39/77/47/798397747.db2.gz YCAZSCQWBVLMKQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159628220 798591057 /nfs/dbraw/zinc/59/10/57/798591057.db2.gz FWYJJDKHIBUUNJ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159628220 798591063 /nfs/dbraw/zinc/59/10/63/798591063.db2.gz FWYJJDKHIBUUNJ-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506914 798642879 /nfs/dbraw/zinc/64/28/79/798642879.db2.gz IWLWTRXHNSIRJT-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893805 798688563 /nfs/dbraw/zinc/68/85/63/798688563.db2.gz IWAFEHNQRAEUEO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160473692 798693575 /nfs/dbraw/zinc/69/35/75/798693575.db2.gz LXJLPNXWXNDXBG-OAHLLOKOSA-N 2 1 313.873 2.218 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029036 798782609 /nfs/dbraw/zinc/78/26/09/798782609.db2.gz KOFSMJODDUPMFI-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161750144 798929078 /nfs/dbraw/zinc/92/90/78/798929078.db2.gz YOCYXTVVHJGFSI-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750144 798929084 /nfs/dbraw/zinc/92/90/84/798929084.db2.gz YOCYXTVVHJGFSI-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161750144 798929087 /nfs/dbraw/zinc/92/90/87/798929087.db2.gz YOCYXTVVHJGFSI-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114406967 799090673 /nfs/dbraw/zinc/09/06/73/799090673.db2.gz OCMHGLFJNOGCIV-FVQHAEBGSA-N 2 1 321.509 2.488 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163268023 799292451 /nfs/dbraw/zinc/29/24/51/799292451.db2.gz XRQFFLGWYVGSIU-UHFFFAOYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578568 799626206 /nfs/dbraw/zinc/62/62/06/799626206.db2.gz HNSKJTCTBXFZAS-HNNXBMFYSA-N 2 1 318.465 2.459 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531426 799650995 /nfs/dbraw/zinc/65/09/95/799650995.db2.gz DSGRNEPAIAWYPG-UGUYLWEFSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531426 799650998 /nfs/dbraw/zinc/65/09/98/799650998.db2.gz DSGRNEPAIAWYPG-UGUYLWEFSA-N 2 1 314.433 2.058 20 30 DEEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095662838 799685719 /nfs/dbraw/zinc/68/57/19/799685719.db2.gz VUEKDZGDOAPDBS-JLSDUUJJSA-N 2 1 322.412 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791397 800123775 /nfs/dbraw/zinc/12/37/75/800123775.db2.gz IEIQGUUFMCRAGC-HZPDHXFCSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284189 800336695 /nfs/dbraw/zinc/33/66/95/800336695.db2.gz KAWWESATAZHOFN-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953477 800640201 /nfs/dbraw/zinc/64/02/01/800640201.db2.gz MNBYYFGSFUCPHM-GOSISDBHSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161675 800854632 /nfs/dbraw/zinc/85/46/32/800854632.db2.gz WRLWGTIHJMRABG-WCXIOVBPSA-N 2 1 307.482 2.260 20 30 DEEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001208176467 800924607 /nfs/dbraw/zinc/92/46/07/800924607.db2.gz DQYOEGJLNGIOQT-GOSISDBHSA-N 2 1 319.493 2.385 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335514 800957652 /nfs/dbraw/zinc/95/76/52/800957652.db2.gz UYLRHKQFCQNASP-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001229186523 801238950 /nfs/dbraw/zinc/23/89/50/801238950.db2.gz XMIFWLLCZJXZMM-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931872 801308135 /nfs/dbraw/zinc/30/81/35/801308135.db2.gz NGDLHVPHOKLJID-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612713 801436390 /nfs/dbraw/zinc/43/63/90/801436390.db2.gz DWXPLWVUVHHWNZ-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612713 801436393 /nfs/dbraw/zinc/43/63/93/801436393.db2.gz DWXPLWVUVHHWNZ-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612713 801436398 /nfs/dbraw/zinc/43/63/98/801436398.db2.gz DWXPLWVUVHHWNZ-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612503 801436812 /nfs/dbraw/zinc/43/68/12/801436812.db2.gz BVLYIDJWODIBPR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612503 801436816 /nfs/dbraw/zinc/43/68/16/801436816.db2.gz BVLYIDJWODIBPR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612503 801436819 /nfs/dbraw/zinc/43/68/19/801436819.db2.gz BVLYIDJWODIBPR-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374217 801555738 /nfs/dbraw/zinc/55/57/38/801555738.db2.gz DCRGPZASJYATJU-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374217 801555744 /nfs/dbraw/zinc/55/57/44/801555744.db2.gz DCRGPZASJYATJU-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019599 801792313 /nfs/dbraw/zinc/79/23/13/801792313.db2.gz ABCVYXQDATZTEZ-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215564009 801877238 /nfs/dbraw/zinc/87/72/38/801877238.db2.gz XDUHHRYDBATFEO-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757716 802022658 /nfs/dbraw/zinc/02/26/58/802022658.db2.gz JTXXSFNBVPQUMC-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234644365 802439581 /nfs/dbraw/zinc/43/95/81/802439581.db2.gz TXYDXQDAODNQQZ-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591204 802987741 /nfs/dbraw/zinc/98/77/41/802987741.db2.gz NTFQISONIOQZHJ-SFHVURJKSA-N 2 1 315.461 2.304 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001227203401 803215368 /nfs/dbraw/zinc/21/53/68/803215368.db2.gz QYLSYHYICALEEW-IAGOWNOFSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001331054956 1149369869 /nfs/dbraw/zinc/36/98/69/1149369869.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001331054956 1149369872 /nfs/dbraw/zinc/36/98/72/1149369872.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001331054956 1149369876 /nfs/dbraw/zinc/36/98/76/1149369876.db2.gz YLIVZQDCTXHUBJ-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336017604 1150591199 /nfs/dbraw/zinc/59/11/99/1150591199.db2.gz ISXDSMJXOGOCPQ-INIZCTEOSA-N 2 1 314.433 2.208 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001328749196 1148830775 /nfs/dbraw/zinc/83/07/75/1148830775.db2.gz KANRXGUHSGIRPO-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462546051 1058847492 /nfs/dbraw/zinc/84/74/92/1058847492.db2.gz KEMOVUGEBPPUCW-NEWSRXKRSA-N 2 1 300.446 2.261 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001501399190 1059488995 /nfs/dbraw/zinc/48/89/95/1059488995.db2.gz CMWUYMISPXBJMP-FGTMMUONSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001501661506 1059619102 /nfs/dbraw/zinc/61/91/02/1059619102.db2.gz ZGJDULUVYHYPCC-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001501661506 1059619109 /nfs/dbraw/zinc/61/91/09/1059619109.db2.gz ZGJDULUVYHYPCC-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001501661506 1059619118 /nfs/dbraw/zinc/61/91/18/1059619118.db2.gz ZGJDULUVYHYPCC-SFHVURJKSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479739673 1061668440 /nfs/dbraw/zinc/66/84/40/1061668440.db2.gz HMNCLHUTYIQRIA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001479739673 1061668450 /nfs/dbraw/zinc/66/84/50/1061668450.db2.gz HMNCLHUTYIQRIA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001479739673 1061668457 /nfs/dbraw/zinc/66/84/57/1061668457.db2.gz HMNCLHUTYIQRIA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001479778303 1061743032 /nfs/dbraw/zinc/74/30/32/1061743032.db2.gz SAXNIWMMRWPIJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001479778303 1061743047 /nfs/dbraw/zinc/74/30/47/1061743047.db2.gz SAXNIWMMRWPIJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479778303 1061743057 /nfs/dbraw/zinc/74/30/57/1061743057.db2.gz SAXNIWMMRWPIJY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001479971193 1062129736 /nfs/dbraw/zinc/12/97/36/1062129736.db2.gz MDMKYBALJKFYLZ-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001480051602 1062244895 /nfs/dbraw/zinc/24/48/95/1062244895.db2.gz SQYWTLLMTWMZBP-DLBZAZTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001506901613 1062489153 /nfs/dbraw/zinc/48/91/53/1062489153.db2.gz FZCXKKKJTOPPFS-KBAYOESNSA-N 2 1 315.461 2.350 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001480287985 1062590595 /nfs/dbraw/zinc/59/05/95/1062590595.db2.gz YOGLJSXKRRCPQK-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001506960842 1062601685 /nfs/dbraw/zinc/60/16/85/1062601685.db2.gz DFDHTGUQDISHSX-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001506960842 1062601691 /nfs/dbraw/zinc/60/16/91/1062601691.db2.gz DFDHTGUQDISHSX-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001506960842 1062601703 /nfs/dbraw/zinc/60/17/03/1062601703.db2.gz DFDHTGUQDISHSX-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480361262 1062710892 /nfs/dbraw/zinc/71/08/92/1062710892.db2.gz JWPGDFBUKOSCGV-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385277 1062768336 /nfs/dbraw/zinc/76/83/36/1062768336.db2.gz ZMCANHLFJYEELH-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480396127 1062795614 /nfs/dbraw/zinc/79/56/14/1062795614.db2.gz QZCPPOWEYVQDOE-WKULXVSPSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480667405 1063162963 /nfs/dbraw/zinc/16/29/63/1063162963.db2.gz HDJGDSLNDVAUOC-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001507969313 1063483943 /nfs/dbraw/zinc/48/39/43/1063483943.db2.gz GIZQGDFPWMNOHV-SJORKVTESA-N 2 1 321.509 2.251 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001493209813 1063642788 /nfs/dbraw/zinc/64/27/88/1063642788.db2.gz COHXSEQKZVBTCM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493209813 1063642794 /nfs/dbraw/zinc/64/27/94/1063642794.db2.gz COHXSEQKZVBTCM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493209813 1063642800 /nfs/dbraw/zinc/64/28/00/1063642800.db2.gz COHXSEQKZVBTCM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001493405199 1063777065 /nfs/dbraw/zinc/77/70/65/1063777065.db2.gz VLWPJARELMPWJT-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001493405199 1063777069 /nfs/dbraw/zinc/77/70/69/1063777069.db2.gz VLWPJARELMPWJT-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827256 1063979578 /nfs/dbraw/zinc/97/95/78/1063979578.db2.gz LZRLMLQCSUBQDR-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001494044230 1064100246 /nfs/dbraw/zinc/10/02/46/1064100246.db2.gz WTIALGQSGNLQKZ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494044230 1064100251 /nfs/dbraw/zinc/10/02/51/1064100251.db2.gz WTIALGQSGNLQKZ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494044230 1064100254 /nfs/dbraw/zinc/10/02/54/1064100254.db2.gz WTIALGQSGNLQKZ-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494139765 1064136667 /nfs/dbraw/zinc/13/66/67/1064136667.db2.gz CWJCQUCLRJJPKU-MRXNPFEDSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494139765 1064136671 /nfs/dbraw/zinc/13/66/71/1064136671.db2.gz CWJCQUCLRJJPKU-MRXNPFEDSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001494139765 1064136675 /nfs/dbraw/zinc/13/66/75/1064136675.db2.gz CWJCQUCLRJJPKU-MRXNPFEDSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001494178235 1064159755 /nfs/dbraw/zinc/15/97/55/1064159755.db2.gz HSSGBWGRSJEBRI-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001567798640 1064429154 /nfs/dbraw/zinc/42/91/54/1064429154.db2.gz TWFCTAMSGPTLNX-UHFFFAOYSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976714 1064572231 /nfs/dbraw/zinc/57/22/31/1064572231.db2.gz IWGJDOKSJWYQGK-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001610977599 1078093199 /nfs/dbraw/zinc/09/31/99/1078093199.db2.gz GJIXMYASDJRPLX-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001568057377 1064622806 /nfs/dbraw/zinc/62/28/06/1064622806.db2.gz SHHUBHNUULZQLM-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568068494 1064629984 /nfs/dbraw/zinc/62/99/84/1064629984.db2.gz YEUJHOIMTMILLA-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568385438 1064827885 /nfs/dbraw/zinc/82/78/85/1064827885.db2.gz FRMIZNPLNHPEOE-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568393095 1064832522 /nfs/dbraw/zinc/83/25/22/1064832522.db2.gz CWSBHAJJQGEYHW-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001568435076 1064869778 /nfs/dbraw/zinc/86/97/78/1064869778.db2.gz WROGLATXDWRONC-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001495581397 1064991429 /nfs/dbraw/zinc/99/14/29/1064991429.db2.gz OWBVIRQBDHFFIW-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569203450 1065363539 /nfs/dbraw/zinc/36/35/39/1065363539.db2.gz VBEOEOZECKIJOF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001569379631 1065474575 /nfs/dbraw/zinc/47/45/75/1065474575.db2.gz FEWFVVJXYBITBR-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001569449146 1065515512 /nfs/dbraw/zinc/51/55/12/1065515512.db2.gz WHCIVFKGYJDWSQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001569449146 1065515520 /nfs/dbraw/zinc/51/55/20/1065515520.db2.gz WHCIVFKGYJDWSQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001569449146 1065515529 /nfs/dbraw/zinc/51/55/29/1065515529.db2.gz WHCIVFKGYJDWSQ-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518696 1065562659 /nfs/dbraw/zinc/56/26/59/1065562659.db2.gz KVJIVJWPEGHKAA-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001569518694 1065562833 /nfs/dbraw/zinc/56/28/33/1065562833.db2.gz KVJIVJWPEGHKAA-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569820839 1065741755 /nfs/dbraw/zinc/74/17/55/1065741755.db2.gz LAUGZZOEMUPNKA-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001569860938 1065774329 /nfs/dbraw/zinc/77/43/29/1065774329.db2.gz ICBCZSAJYATVLS-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001569860938 1065774341 /nfs/dbraw/zinc/77/43/41/1065774341.db2.gz ICBCZSAJYATVLS-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001569860938 1065774355 /nfs/dbraw/zinc/77/43/55/1065774355.db2.gz ICBCZSAJYATVLS-FJIDUMEYSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569880057 1065789244 /nfs/dbraw/zinc/78/92/44/1065789244.db2.gz LJPMGEJNWKHSRY-NXOAAHMSSA-N 2 1 307.482 2.072 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570013572 1065880498 /nfs/dbraw/zinc/88/04/98/1065880498.db2.gz NFNJJEUHABUVNE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570014045 1065883290 /nfs/dbraw/zinc/88/32/90/1065883290.db2.gz XDQDHJPAHCMGBJ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001497257748 1065992867 /nfs/dbraw/zinc/99/28/67/1065992867.db2.gz VTJIWACOMXOXGQ-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001570275377 1066001461 /nfs/dbraw/zinc/00/14/61/1066001461.db2.gz VRGFRQKIYNWNED-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570349832 1066026065 /nfs/dbraw/zinc/02/60/65/1066026065.db2.gz UUNHYTXVVSBCFB-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001570379660 1066040382 /nfs/dbraw/zinc/04/03/82/1066040382.db2.gz WACGCCRDOJTIRP-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001497841925 1066357357 /nfs/dbraw/zinc/35/73/57/1066357357.db2.gz BLRNBSYPNFBWAU-CYBMUJFWSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266984127 1078480974 /nfs/dbraw/zinc/48/09/74/1078480974.db2.gz VPDSRYHKSDISLF-DOTOQJQBSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267132760 1078604650 /nfs/dbraw/zinc/60/46/50/1078604650.db2.gz SCFYJLIPZYNJSV-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267163864 1078627847 /nfs/dbraw/zinc/62/78/47/1078627847.db2.gz BGOFYHFUWSDXRN-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163864 1078627853 /nfs/dbraw/zinc/62/78/53/1078627853.db2.gz BGOFYHFUWSDXRN-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267163864 1078627858 /nfs/dbraw/zinc/62/78/58/1078627858.db2.gz BGOFYHFUWSDXRN-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001570534992 1067991690 /nfs/dbraw/zinc/99/16/90/1067991690.db2.gz UQDJFDRGOSGCRC-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001570534992 1067991695 /nfs/dbraw/zinc/99/16/95/1067991695.db2.gz UQDJFDRGOSGCRC-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001570534992 1067991701 /nfs/dbraw/zinc/99/17/01/1067991701.db2.gz UQDJFDRGOSGCRC-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001267175331 1078639056 /nfs/dbraw/zinc/63/90/56/1078639056.db2.gz SNEDWDUXAFWVDZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267175331 1078639057 /nfs/dbraw/zinc/63/90/57/1078639057.db2.gz SNEDWDUXAFWVDZ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570679119 1068065637 /nfs/dbraw/zinc/06/56/37/1068065637.db2.gz HFYIBAGBWJXONW-UHFFFAOYSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001570828658 1068131949 /nfs/dbraw/zinc/13/19/49/1068131949.db2.gz QGPSNZOUMGYGJX-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001570834708 1068133250 /nfs/dbraw/zinc/13/32/50/1068133250.db2.gz HGCVBLWOXIZWFX-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570907270 1068155825 /nfs/dbraw/zinc/15/58/25/1068155825.db2.gz CYXOQGJGKQCQKZ-CVEARBPZSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001571017379 1068173366 /nfs/dbraw/zinc/17/33/66/1068173366.db2.gz ZBKZLZQLPWPGPS-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571326722 1068222053 /nfs/dbraw/zinc/22/20/53/1068222053.db2.gz ZXVCXMIRTRCSPJ-CABCVRRESA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCCC[NH+](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001571331202 1068226842 /nfs/dbraw/zinc/22/68/42/1068226842.db2.gz MMJDEEZOUHYYHA-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001571331202 1068226846 /nfs/dbraw/zinc/22/68/46/1068226846.db2.gz MMJDEEZOUHYYHA-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001571331202 1068226849 /nfs/dbraw/zinc/22/68/49/1068226849.db2.gz MMJDEEZOUHYYHA-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469971 1068321556 /nfs/dbraw/zinc/32/15/56/1068321556.db2.gz XIOIHQMMEMMARP-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001571469971 1068321572 /nfs/dbraw/zinc/32/15/72/1068321572.db2.gz XIOIHQMMEMMARP-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639421 1068454244 /nfs/dbraw/zinc/45/42/44/1068454244.db2.gz NQZIYHFUXQXBKC-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571683581 1068477810 /nfs/dbraw/zinc/47/78/10/1068477810.db2.gz KDQRWCYGFSIRBW-NVXWUHKLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571683581 1068477815 /nfs/dbraw/zinc/47/78/15/1068477815.db2.gz KDQRWCYGFSIRBW-NVXWUHKLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571683581 1068477818 /nfs/dbraw/zinc/47/78/18/1068477818.db2.gz KDQRWCYGFSIRBW-NVXWUHKLSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705824 1078830850 /nfs/dbraw/zinc/83/08/50/1078830850.db2.gz JIRHOIUUPVMUAC-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC001574902741 1069291091 /nfs/dbraw/zinc/29/10/91/1069291091.db2.gz FGFJRPUPHRKNNH-MSOLQXFVSA-N 2 1 315.461 2.406 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267510500 1078939876 /nfs/dbraw/zinc/93/98/76/1078939876.db2.gz SCQUSQTTXVNADS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001267510500 1078939880 /nfs/dbraw/zinc/93/98/80/1078939880.db2.gz SCQUSQTTXVNADS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001267510500 1078939884 /nfs/dbraw/zinc/93/98/84/1078939884.db2.gz SCQUSQTTXVNADS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267510503 1078940459 /nfs/dbraw/zinc/94/04/59/1078940459.db2.gz SCQUSQTTXVNADS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001267510503 1078940466 /nfs/dbraw/zinc/94/04/66/1078940466.db2.gz SCQUSQTTXVNADS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001267510503 1078940476 /nfs/dbraw/zinc/94/04/76/1078940476.db2.gz SCQUSQTTXVNADS-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267536378 1078965794 /nfs/dbraw/zinc/96/57/94/1078965794.db2.gz RSECNPJLGSICIQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267536378 1078965802 /nfs/dbraw/zinc/96/58/02/1078965802.db2.gz RSECNPJLGSICIQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267536378 1078965808 /nfs/dbraw/zinc/96/58/08/1078965808.db2.gz RSECNPJLGSICIQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267556866 1078989588 /nfs/dbraw/zinc/98/95/88/1078989588.db2.gz VUBBAADFZWYORQ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267556866 1078989593 /nfs/dbraw/zinc/98/95/93/1078989593.db2.gz VUBBAADFZWYORQ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267556866 1078989602 /nfs/dbraw/zinc/98/96/02/1078989602.db2.gz VUBBAADFZWYORQ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001483805699 1079133861 /nfs/dbraw/zinc/13/38/61/1079133861.db2.gz VOGFZWCRVLKNTO-AYHJJNSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001483816608 1079140154 /nfs/dbraw/zinc/14/01/54/1079140154.db2.gz HHYDIXYGXZJPRH-UHFFFAOYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001483816608 1079140156 /nfs/dbraw/zinc/14/01/56/1079140156.db2.gz HHYDIXYGXZJPRH-UHFFFAOYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001483832697 1079141952 /nfs/dbraw/zinc/14/19/52/1079141952.db2.gz MQUCBTUAHLCYOO-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483832697 1079141957 /nfs/dbraw/zinc/14/19/57/1079141957.db2.gz MQUCBTUAHLCYOO-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483832697 1079141962 /nfs/dbraw/zinc/14/19/62/1079141962.db2.gz MQUCBTUAHLCYOO-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566745689 1075000574 /nfs/dbraw/zinc/00/05/74/1075000574.db2.gz RQCPKVXHYHWZKK-SJORKVTESA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267683642 1079372130 /nfs/dbraw/zinc/37/21/30/1079372130.db2.gz SHCZTCSTLRLCOX-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267689273 1079377123 /nfs/dbraw/zinc/37/71/23/1079377123.db2.gz CWCDEWVDNNEQHD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668880 1075310516 /nfs/dbraw/zinc/31/05/16/1075310516.db2.gz DONULDRSMZJNJJ-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001566674519 1075312991 /nfs/dbraw/zinc/31/29/91/1075312991.db2.gz SZVGTAMXRXZALJ-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001566674519 1075313000 /nfs/dbraw/zinc/31/30/00/1075313000.db2.gz SZVGTAMXRXZALJ-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001566674519 1075313005 /nfs/dbraw/zinc/31/30/05/1075313005.db2.gz SZVGTAMXRXZALJ-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566740577 1075331886 /nfs/dbraw/zinc/33/18/86/1075331886.db2.gz ZJXNORUZBAZKBI-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566740577 1075331890 /nfs/dbraw/zinc/33/18/90/1075331890.db2.gz ZJXNORUZBAZKBI-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566740577 1075331895 /nfs/dbraw/zinc/33/18/95/1075331895.db2.gz ZJXNORUZBAZKBI-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001566972118 1075404159 /nfs/dbraw/zinc/40/41/59/1075404159.db2.gz XBXIFKZBARJHDJ-HTPGKPQGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566972118 1075404163 /nfs/dbraw/zinc/40/41/63/1075404163.db2.gz XBXIFKZBARJHDJ-HTPGKPQGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001566972118 1075404164 /nfs/dbraw/zinc/40/41/64/1075404164.db2.gz XBXIFKZBARJHDJ-HTPGKPQGSA-N 2 1 319.493 2.118 20 30 DEEDMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567016209 1075416788 /nfs/dbraw/zinc/41/67/88/1075416788.db2.gz FFGOSPJEJSOQAD-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267786861 1079496830 /nfs/dbraw/zinc/49/68/30/1079496830.db2.gz QUCFRIUZQPCVKG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267786861 1079496831 /nfs/dbraw/zinc/49/68/31/1079496831.db2.gz QUCFRIUZQPCVKG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267786861 1079496833 /nfs/dbraw/zinc/49/68/33/1079496833.db2.gz QUCFRIUZQPCVKG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001329460272 1148897445 /nfs/dbraw/zinc/89/74/45/1148897445.db2.gz PXMCDTBADKYQIE-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001329460272 1148897446 /nfs/dbraw/zinc/89/74/46/1148897446.db2.gz PXMCDTBADKYQIE-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001329460272 1148897448 /nfs/dbraw/zinc/89/74/48/1148897448.db2.gz PXMCDTBADKYQIE-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484398340 1079586640 /nfs/dbraw/zinc/58/66/40/1079586640.db2.gz ZSTLVRKAAAGZAN-ULQDDVLXSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001267960559 1079640801 /nfs/dbraw/zinc/64/08/01/1079640801.db2.gz ISWGBNXSBJLKED-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001481355954 1079752431 /nfs/dbraw/zinc/75/24/31/1079752431.db2.gz FMWVZJPVCNWHON-GOSISDBHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2cnc[nH]2)C(C)(C)C1 ZINC001484939866 1079870378 /nfs/dbraw/zinc/87/03/78/1079870378.db2.gz FQWKDQVQJHTKKV-OAHLLOKOSA-N 2 1 304.438 2.135 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001484982735 1079895681 /nfs/dbraw/zinc/89/56/81/1079895681.db2.gz TVNZQWLLKAJMHF-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]1C ZINC001484982735 1079895688 /nfs/dbraw/zinc/89/56/88/1079895688.db2.gz TVNZQWLLKAJMHF-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]1C ZINC001484982735 1079895693 /nfs/dbraw/zinc/89/56/93/1079895693.db2.gz TVNZQWLLKAJMHF-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481493403 1079949624 /nfs/dbraw/zinc/94/96/24/1079949624.db2.gz YDSOXMOPYMTNJL-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001485094981 1079977065 /nfs/dbraw/zinc/97/70/65/1079977065.db2.gz PJUICBREGKVWPU-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001279253866 1080071864 /nfs/dbraw/zinc/07/18/64/1080071864.db2.gz KGRKYDVGYHFPGO-BRSBDYLESA-N 2 1 321.509 2.415 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485231847 1080078641 /nfs/dbraw/zinc/07/86/41/1080078641.db2.gz LDGNIHCCVYJJOZ-GJZGRUSLSA-N 2 1 323.868 2.354 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485231847 1080078646 /nfs/dbraw/zinc/07/86/46/1080078646.db2.gz LDGNIHCCVYJJOZ-GJZGRUSLSA-N 2 1 323.868 2.354 20 30 DEEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001485436982 1080206987 /nfs/dbraw/zinc/20/69/87/1080206987.db2.gz BRBYORBLRJANNH-MSOLQXFVSA-N 2 1 321.509 2.345 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001485455534 1080217696 /nfs/dbraw/zinc/21/76/96/1080217696.db2.gz NWGQXNHBMIISTI-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001485658434 1080350232 /nfs/dbraw/zinc/35/02/32/1080350232.db2.gz VGSUCCZDRJIQAE-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001485658434 1080350236 /nfs/dbraw/zinc/35/02/36/1080350236.db2.gz VGSUCCZDRJIQAE-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001485658434 1080350242 /nfs/dbraw/zinc/35/02/42/1080350242.db2.gz VGSUCCZDRJIQAE-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001660988096 1080423477 /nfs/dbraw/zinc/42/34/77/1080423477.db2.gz FZXXWWBUIOILBB-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481747087 1080430311 /nfs/dbraw/zinc/43/03/11/1080430311.db2.gz LSKWWSVPAPAXON-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481747087 1080430313 /nfs/dbraw/zinc/43/03/13/1080430313.db2.gz LSKWWSVPAPAXON-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481747087 1080430315 /nfs/dbraw/zinc/43/03/15/1080430315.db2.gz LSKWWSVPAPAXON-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747087 1080430323 /nfs/dbraw/zinc/43/03/23/1080430323.db2.gz LSKWWSVPAPAXON-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001661435340 1080481025 /nfs/dbraw/zinc/48/10/25/1080481025.db2.gz OEZVBORFMLMYRY-ZOBUZTSGSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001662675918 1080632596 /nfs/dbraw/zinc/63/25/96/1080632596.db2.gz UXQKTMPZUOKZED-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001662867038 1080669407 /nfs/dbraw/zinc/66/94/07/1080669407.db2.gz DQFVSWDUQMTRRW-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001663415563 1080743604 /nfs/dbraw/zinc/74/36/04/1080743604.db2.gz KKAYIWPUOVRXRK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001663415563 1080743613 /nfs/dbraw/zinc/74/36/13/1080743613.db2.gz KKAYIWPUOVRXRK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482049841 1080749564 /nfs/dbraw/zinc/74/95/64/1080749564.db2.gz LEFWVOWUGIYUQV-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001664517064 1080920982 /nfs/dbraw/zinc/92/09/82/1080920982.db2.gz SJRISFDIRKTMJS-SFHVURJKSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001664517064 1080920990 /nfs/dbraw/zinc/92/09/90/1080920990.db2.gz SJRISFDIRKTMJS-SFHVURJKSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001664517064 1080920996 /nfs/dbraw/zinc/92/09/96/1080920996.db2.gz SJRISFDIRKTMJS-SFHVURJKSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001665686280 1081063775 /nfs/dbraw/zinc/06/37/75/1081063775.db2.gz GWEFTCYSUREYMN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001269326914 1081213430 /nfs/dbraw/zinc/21/34/30/1081213430.db2.gz OWBZEHDNOXKCSY-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001482213736 1081217523 /nfs/dbraw/zinc/21/75/23/1081217523.db2.gz XOXHBPJBYZKQFP-HOTGVXAUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001667643841 1081269359 /nfs/dbraw/zinc/26/93/59/1081269359.db2.gz UKVGFKCFNVSXDQ-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000950518480 1081358891 /nfs/dbraw/zinc/35/88/91/1081358891.db2.gz JFDYPRXWUJTYQV-UHFFFAOYSA-N 2 1 315.461 2.125 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000950616640 1081378320 /nfs/dbraw/zinc/37/83/20/1081378320.db2.gz UPEHEFKLLJZRMR-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000950616640 1081378324 /nfs/dbraw/zinc/37/83/24/1081378324.db2.gz UPEHEFKLLJZRMR-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001269839371 1081379103 /nfs/dbraw/zinc/37/91/03/1081379103.db2.gz PAYADHKJNUAHTI-PMPSAXMXSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812365 1081408415 /nfs/dbraw/zinc/40/84/15/1081408415.db2.gz KLKOKCHEMVOVLX-VSZNYVQBSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001269972901 1081414061 /nfs/dbraw/zinc/41/40/61/1081414061.db2.gz PWRUZJHVRJDYFT-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCCC ZINC001270065986 1081442041 /nfs/dbraw/zinc/44/20/41/1081442041.db2.gz CIWXZSLSRLDISL-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCCC ZINC001270065986 1081442044 /nfs/dbraw/zinc/44/20/44/1081442044.db2.gz CIWXZSLSRLDISL-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001671599605 1081525144 /nfs/dbraw/zinc/52/51/44/1081525144.db2.gz ZCJVNVNRGFSCHC-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001270511370 1081540369 /nfs/dbraw/zinc/54/03/69/1081540369.db2.gz AKJDSPCUYAVQBZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628422 1081546314 /nfs/dbraw/zinc/54/63/14/1081546314.db2.gz QQPVXSAOHJIZSB-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628422 1081546320 /nfs/dbraw/zinc/54/63/20/1081546320.db2.gz QQPVXSAOHJIZSB-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001270798599 1081715351 /nfs/dbraw/zinc/71/53/51/1081715351.db2.gz MSMBWJHKDNVBJM-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001270851144 1081743354 /nfs/dbraw/zinc/74/33/54/1081743354.db2.gz IJMNWZCUKLQYEY-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001674154783 1081849737 /nfs/dbraw/zinc/84/97/37/1081849737.db2.gz MLKPVRIGFNHZBR-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001674154783 1081849742 /nfs/dbraw/zinc/84/97/42/1081849742.db2.gz MLKPVRIGFNHZBR-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001674154783 1081849748 /nfs/dbraw/zinc/84/97/48/1081849748.db2.gz MLKPVRIGFNHZBR-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001674154783 1081849755 /nfs/dbraw/zinc/84/97/55/1081849755.db2.gz MLKPVRIGFNHZBR-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463901 1081875843 /nfs/dbraw/zinc/87/58/43/1081875843.db2.gz VNSZKPUKYIGJCT-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499220 1081883255 /nfs/dbraw/zinc/88/32/55/1081883255.db2.gz FOICPXIKRUGCHC-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001674611487 1081894701 /nfs/dbraw/zinc/89/47/01/1081894701.db2.gz HMHWHCMEPPNFGL-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1ccnc1C ZINC001266244467 1081912593 /nfs/dbraw/zinc/91/25/93/1081912593.db2.gz PYIRWPGVNXYNNO-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001266244467 1081912597 /nfs/dbraw/zinc/91/25/97/1081912597.db2.gz PYIRWPGVNXYNNO-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001266333008 1081976770 /nfs/dbraw/zinc/97/67/70/1081976770.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266333008 1081976777 /nfs/dbraw/zinc/97/67/77/1081976777.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001266333008 1081976782 /nfs/dbraw/zinc/97/67/82/1081976782.db2.gz FFBBFZLOYXXQSV-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271665160 1082104597 /nfs/dbraw/zinc/10/45/97/1082104597.db2.gz IQFFRMJBOUSVNS-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001482506595 1082128085 /nfs/dbraw/zinc/12/80/85/1082128085.db2.gz DYHXNSQLCYSKMS-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001271790455 1082154694 /nfs/dbraw/zinc/15/46/94/1082154694.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001271790455 1082154702 /nfs/dbraw/zinc/15/47/02/1082154702.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001271790455 1082154709 /nfs/dbraw/zinc/15/47/09/1082154709.db2.gz KWYTXPGUKMMKOF-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001480884349 1082158254 /nfs/dbraw/zinc/15/82/54/1082158254.db2.gz RNHJLQSFVKZSTB-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001271891204 1082182278 /nfs/dbraw/zinc/18/22/78/1082182278.db2.gz IEBLILRXYPWMOX-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271891204 1082182282 /nfs/dbraw/zinc/18/22/82/1082182282.db2.gz IEBLILRXYPWMOX-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271891204 1082182288 /nfs/dbraw/zinc/18/22/88/1082182288.db2.gz IEBLILRXYPWMOX-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266915542 1082450458 /nfs/dbraw/zinc/45/04/58/1082450458.db2.gz JTWNAFSHEIFNOZ-GTPINHCMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482833170 1082524340 /nfs/dbraw/zinc/52/43/40/1082524340.db2.gz ZEMFCLYFZJBLBU-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001505950943 1082546491 /nfs/dbraw/zinc/54/64/91/1082546491.db2.gz OHYVVZDSMYBURB-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505950943 1082546496 /nfs/dbraw/zinc/54/64/96/1082546496.db2.gz OHYVVZDSMYBURB-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505950943 1082546504 /nfs/dbraw/zinc/54/65/04/1082546504.db2.gz OHYVVZDSMYBURB-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483011543 1082623779 /nfs/dbraw/zinc/62/37/79/1082623779.db2.gz QJARARRVBDNMRN-QWPQOLDESA-N 2 1 319.493 2.479 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439056 1083395491 /nfs/dbraw/zinc/39/54/91/1083395491.db2.gz PWNQMYYSHZTTEA-ZHALLVOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609240 1083515620 /nfs/dbraw/zinc/51/56/20/1083515620.db2.gz KFFUHQOIKNTSCA-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609240 1083515628 /nfs/dbraw/zinc/51/56/28/1083515628.db2.gz KFFUHQOIKNTSCA-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609240 1083515634 /nfs/dbraw/zinc/51/56/34/1083515634.db2.gz KFFUHQOIKNTSCA-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635375 1083539477 /nfs/dbraw/zinc/53/94/77/1083539477.db2.gz NDDUFDZHLFXVGQ-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635375 1083539490 /nfs/dbraw/zinc/53/94/90/1083539490.db2.gz NDDUFDZHLFXVGQ-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107634072 1083543622 /nfs/dbraw/zinc/54/36/22/1083543622.db2.gz IWLKKNFJGMUWMI-SJLPKXTDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001276839591 1083639881 /nfs/dbraw/zinc/63/98/81/1083639881.db2.gz KQEMCDAZUDDWKU-BZSNNMDCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473667 1083992661 /nfs/dbraw/zinc/99/26/61/1083992661.db2.gz HTRGUHUXRHVJOY-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001277647597 1084075816 /nfs/dbraw/zinc/07/58/16/1084075816.db2.gz TZBYAKISAUVVSG-GVDBMIGSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557302 1084087955 /nfs/dbraw/zinc/08/79/55/1084087955.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557302 1084087963 /nfs/dbraw/zinc/08/79/63/1084087963.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557302 1084087973 /nfs/dbraw/zinc/08/79/73/1084087973.db2.gz OKNFZJMSVOMYBB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001277826314 1084163821 /nfs/dbraw/zinc/16/38/21/1084163821.db2.gz MFUFVNRKQZSURI-CABCVRRESA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001491247008 1084185952 /nfs/dbraw/zinc/18/59/52/1084185952.db2.gz IENKLQOOFYUOIZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001671044737 1084229078 /nfs/dbraw/zinc/22/90/78/1084229078.db2.gz KPVKXCTVIQZGFO-GOSISDBHSA-N 2 1 316.449 2.233 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001491356740 1084253644 /nfs/dbraw/zinc/25/36/44/1084253644.db2.gz SSIVCGDJLWZLLF-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP N#CCCCC[N@H+]1CCC[C@@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001277948357 1084443969 /nfs/dbraw/zinc/44/39/69/1084443969.db2.gz HUHQRZOIRXUNMY-QGZVFWFLSA-N 2 1 301.438 2.391 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485960622 1085022910 /nfs/dbraw/zinc/02/29/10/1085022910.db2.gz JGDLGTSKPVDXAO-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963946869 1085126889 /nfs/dbraw/zinc/12/68/89/1085126889.db2.gz KEWVQLLDEHWXOB-RFSHTEQGSA-N 2 1 319.493 2.452 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960291801 1085184459 /nfs/dbraw/zinc/18/44/59/1085184459.db2.gz VHFAZJCHUUGNKC-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960291801 1085184461 /nfs/dbraw/zinc/18/44/61/1085184461.db2.gz VHFAZJCHUUGNKC-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960291801 1085184465 /nfs/dbraw/zinc/18/44/65/1085184465.db2.gz VHFAZJCHUUGNKC-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001486412006 1085281427 /nfs/dbraw/zinc/28/14/27/1085281427.db2.gz UIBFVXMZMMGZOK-JKSUJKDBSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001486488327 1085368210 /nfs/dbraw/zinc/36/82/10/1085368210.db2.gz DPICEVCLWBKZQC-UHFFFAOYSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001486516305 1085387221 /nfs/dbraw/zinc/38/72/21/1085387221.db2.gz GPUGKIDLVIFLMY-QGZVFWFLSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001486524438 1085408451 /nfs/dbraw/zinc/40/84/51/1085408451.db2.gz CODNWGMDIYBBRH-QGZVFWFLSA-N 2 1 319.424 2.202 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338283 1086414756 /nfs/dbraw/zinc/41/47/56/1086414756.db2.gz VEALBHAFZMQMLS-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338283 1086414760 /nfs/dbraw/zinc/41/47/60/1086414760.db2.gz VEALBHAFZMQMLS-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114520986 1088307649 /nfs/dbraw/zinc/30/76/49/1088307649.db2.gz FWLVJLMFEVRBFI-VIBAHUMZSA-N 2 1 324.428 2.349 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949070 1088508199 /nfs/dbraw/zinc/50/81/99/1088508199.db2.gz NQSFALHIXQJMHV-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190974 1088669531 /nfs/dbraw/zinc/66/95/31/1088669531.db2.gz PZHPAHDOYJTYLJ-CRAIPNDOSA-N 2 1 315.461 2.027 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557372 1089062806 /nfs/dbraw/zinc/06/28/06/1089062806.db2.gz RCZCUAVYJREDNX-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557372 1089062825 /nfs/dbraw/zinc/06/28/25/1089062825.db2.gz RCZCUAVYJREDNX-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624351 1089107455 /nfs/dbraw/zinc/10/74/55/1089107455.db2.gz XAZJODTYKZXLMA-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848969 1089148762 /nfs/dbraw/zinc/14/87/62/1089148762.db2.gz IWUMUQUNWVOMKG-VVLHAWIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389172 1090286156 /nfs/dbraw/zinc/28/61/56/1090286156.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389172 1090286160 /nfs/dbraw/zinc/28/61/60/1090286160.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389172 1090286165 /nfs/dbraw/zinc/28/61/65/1090286165.db2.gz VUYLFJBOPSGTDT-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470464 1090298422 /nfs/dbraw/zinc/29/84/22/1090298422.db2.gz JSYHXOVAEVPFGV-NVXWUHKLSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470464 1090298425 /nfs/dbraw/zinc/29/84/25/1090298425.db2.gz JSYHXOVAEVPFGV-NVXWUHKLSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470464 1090298428 /nfs/dbraw/zinc/29/84/28/1090298428.db2.gz JSYHXOVAEVPFGV-NVXWUHKLSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470464 1090298437 /nfs/dbraw/zinc/29/84/37/1090298437.db2.gz JSYHXOVAEVPFGV-NVXWUHKLSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274369467 1091210414 /nfs/dbraw/zinc/21/04/14/1091210414.db2.gz QMNDMMPBUACVBW-QWPQOLDESA-N 2 1 311.445 2.037 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001274955933 1091492691 /nfs/dbraw/zinc/49/26/91/1091492691.db2.gz SXIJQAPKJWIPBP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001274955933 1091492695 /nfs/dbraw/zinc/49/26/95/1091492695.db2.gz SXIJQAPKJWIPBP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001274955933 1091492700 /nfs/dbraw/zinc/49/27/00/1091492700.db2.gz SXIJQAPKJWIPBP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP CCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275130873 1091574276 /nfs/dbraw/zinc/57/42/76/1091574276.db2.gz JZNWRRQVGGHJRD-HDICACEKSA-N 2 1 311.514 2.294 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001275150795 1091586855 /nfs/dbraw/zinc/58/68/55/1091586855.db2.gz NTLNZALYEIBQIA-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001275150795 1091586860 /nfs/dbraw/zinc/58/68/60/1091586860.db2.gz NTLNZALYEIBQIA-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001275150795 1091586865 /nfs/dbraw/zinc/58/68/65/1091586865.db2.gz NTLNZALYEIBQIA-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275161502 1091592995 /nfs/dbraw/zinc/59/29/95/1091592995.db2.gz ZTDVNQMGBKQGNN-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001273459178 1091788571 /nfs/dbraw/zinc/78/85/71/1091788571.db2.gz ZNLUCFSJARJFQG-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001273572193 1091929541 /nfs/dbraw/zinc/92/95/41/1091929541.db2.gz VUBVTSSXTAJMQR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001273572193 1091929548 /nfs/dbraw/zinc/92/95/48/1091929548.db2.gz VUBVTSSXTAJMQR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001273572193 1091929554 /nfs/dbraw/zinc/92/95/54/1091929554.db2.gz VUBVTSSXTAJMQR-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001275828586 1092190539 /nfs/dbraw/zinc/19/05/39/1092190539.db2.gz BAAGBDPAERPQKK-UHFFFAOYSA-N 2 1 312.461 2.018 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001490347599 1093296374 /nfs/dbraw/zinc/29/63/74/1093296374.db2.gz NKMZDIQIBPFGEP-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001490347599 1093296380 /nfs/dbraw/zinc/29/63/80/1093296380.db2.gz NKMZDIQIBPFGEP-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001490347599 1093296386 /nfs/dbraw/zinc/29/63/86/1093296386.db2.gz NKMZDIQIBPFGEP-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490764969 1093515921 /nfs/dbraw/zinc/51/59/21/1093515921.db2.gz IUEOTDMSODYILQ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691742585 1138269324 /nfs/dbraw/zinc/26/93/24/1138269324.db2.gz CFSHMUPUACIEIG-IYBDPMFKSA-N 2 1 309.498 2.415 20 30 DEEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1OC ZINC001236314409 1138350382 /nfs/dbraw/zinc/35/03/82/1138350382.db2.gz DEFNKVJKEKETCS-CALCHBBNSA-N 2 1 314.429 2.139 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001281940584 1138845102 /nfs/dbraw/zinc/84/51/02/1138845102.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001281940584 1138845103 /nfs/dbraw/zinc/84/51/03/1138845103.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001281940584 1138845104 /nfs/dbraw/zinc/84/51/04/1138845104.db2.gz AIMUVZWRJUIORM-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491817772 1140318528 /nfs/dbraw/zinc/31/85/28/1140318528.db2.gz VQVFJNPHVNTOPW-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318474049 1140343025 /nfs/dbraw/zinc/34/30/25/1140343025.db2.gz RBNXZOLUPNLNIN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318474049 1140343033 /nfs/dbraw/zinc/34/30/33/1140343033.db2.gz RBNXZOLUPNLNIN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001318474049 1140343041 /nfs/dbraw/zinc/34/30/41/1140343041.db2.gz RBNXZOLUPNLNIN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001318528412 1140359674 /nfs/dbraw/zinc/35/96/74/1140359674.db2.gz HASPSFCWNZGCKK-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCC1 ZINC001319386969 1140560874 /nfs/dbraw/zinc/56/08/74/1140560874.db2.gz UENPSTCNAUCLJB-SFHVURJKSA-N 2 1 319.493 2.457 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001319592123 1140621592 /nfs/dbraw/zinc/62/15/92/1140621592.db2.gz HGZTWIZBNBYVSO-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001320007257 1140812371 /nfs/dbraw/zinc/81/23/71/1140812371.db2.gz LJUUKJOSAQNRJM-UHFFFAOYSA-N 2 1 309.479 2.390 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065768 1140856657 /nfs/dbraw/zinc/85/66/57/1140856657.db2.gz QOFLHGNWNCWQTB-QGZVFWFLSA-N 2 1 300.446 2.451 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001278432663 1140865042 /nfs/dbraw/zinc/86/50/42/1140865042.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001278432663 1140865043 /nfs/dbraw/zinc/86/50/43/1140865043.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001278432663 1140865044 /nfs/dbraw/zinc/86/50/44/1140865044.db2.gz GSJLJRIOXITBJO-YOEHRIQHSA-N 2 1 304.438 2.135 20 30 DEEDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361469 1140888261 /nfs/dbraw/zinc/88/82/61/1140888261.db2.gz LLPAYMWSCVQWCU-HNAYVOBHSA-N 2 1 312.461 2.253 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322347444 1141536623 /nfs/dbraw/zinc/53/66/23/1141536623.db2.gz SRLSXKXQMXDYGX-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001323636796 1141872382 /nfs/dbraw/zinc/87/23/82/1141872382.db2.gz GYKXEVAFAAWDDF-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001323874644 1141895398 /nfs/dbraw/zinc/89/53/98/1141895398.db2.gz VXKBBWLBKHYILF-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC001336784821 1142570498 /nfs/dbraw/zinc/57/04/98/1142570498.db2.gz ICBSCLUIKSATQJ-QGZVFWFLSA-N 2 1 306.837 2.451 20 30 DEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766485 /nfs/dbraw/zinc/76/64/85/1142766485.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766490 /nfs/dbraw/zinc/76/64/90/1142766490.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559299 1142766494 /nfs/dbraw/zinc/76/64/94/1142766494.db2.gz VFBMYSSRKGEMQX-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001253192599 1142851797 /nfs/dbraw/zinc/85/17/97/1142851797.db2.gz ULYBWWHPEMUNEF-HXUWFJFHSA-N 2 1 314.473 2.453 20 30 DEEDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001253391949 1142868039 /nfs/dbraw/zinc/86/80/39/1142868039.db2.gz CPTMERCJNNQEQJ-GOSISDBHSA-N 2 1 315.461 2.487 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCC[N@H+](C)CC1)CC2 ZINC001254520269 1143179260 /nfs/dbraw/zinc/17/92/60/1143179260.db2.gz XAPMUHYWLHWWKT-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCN1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255408110 1143597053 /nfs/dbraw/zinc/59/70/53/1143597053.db2.gz IDZYAPMTOCGSDQ-HXUWFJFHSA-N 2 1 311.473 2.292 20 30 DEEDMP C#CCN1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408110 1143597072 /nfs/dbraw/zinc/59/70/72/1143597072.db2.gz IDZYAPMTOCGSDQ-HXUWFJFHSA-N 2 1 311.473 2.292 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCN(C)CC1)CCO2 ZINC001256208052 1143836271 /nfs/dbraw/zinc/83/62/71/1143836271.db2.gz VKSJGTCWHIPSKM-SJLPKXTDSA-N 2 1 308.466 2.154 20 30 DEEDMP CCCCCCC[C@@H](C)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC ZINC001258038677 1143968487 /nfs/dbraw/zinc/96/84/87/1143968487.db2.gz CHZBPCSBYQYXFA-KGLIPLIRSA-N 2 1 314.474 2.130 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263849432 1144410758 /nfs/dbraw/zinc/41/07/58/1144410758.db2.gz JJVPFJXNVLJXCQ-TWMKSMIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263849433 1144410844 /nfs/dbraw/zinc/41/08/44/1144410844.db2.gz JJVPFJXNVLJXCQ-VQHPVUNQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001263863490 1144415741 /nfs/dbraw/zinc/41/57/41/1144415741.db2.gz TZSZJGBRBZZSHS-RBSFLKMASA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001263880614 1144419410 /nfs/dbraw/zinc/41/94/10/1144419410.db2.gz UMAHSULSPGUCEM-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001263887283 1144420211 /nfs/dbraw/zinc/42/02/11/1144420211.db2.gz QCVGBXYAXRFKGM-ZWKOTPCHSA-N 2 1 315.461 2.097 20 30 DEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001263887283 1144420213 /nfs/dbraw/zinc/42/02/13/1144420213.db2.gz QCVGBXYAXRFKGM-ZWKOTPCHSA-N 2 1 315.461 2.097 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264062687 1144453879 /nfs/dbraw/zinc/45/38/79/1144453879.db2.gz OKRXVXSFHZTVMU-GVDBMIGSSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001264176553 1144495483 /nfs/dbraw/zinc/49/54/83/1144495483.db2.gz GHYQOILQQKTIOX-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001264176553 1144495485 /nfs/dbraw/zinc/49/54/85/1144495485.db2.gz GHYQOILQQKTIOX-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001264176553 1144495493 /nfs/dbraw/zinc/49/54/93/1144495493.db2.gz GHYQOILQQKTIOX-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001264435371 1144538766 /nfs/dbraw/zinc/53/87/66/1144538766.db2.gz HICNWHNEFKCCTM-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264518029 1144556126 /nfs/dbraw/zinc/55/61/26/1144556126.db2.gz NVTKITACLZXLIW-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235245 1144673947 /nfs/dbraw/zinc/67/39/47/1144673947.db2.gz LLLHKVLCMBPIPW-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235245 1144673952 /nfs/dbraw/zinc/67/39/52/1144673952.db2.gz LLLHKVLCMBPIPW-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001265356927 1144697811 /nfs/dbraw/zinc/69/78/11/1144697811.db2.gz RQFMLCUTJWHJQU-YESZJQIVSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266068944 1144802387 /nfs/dbraw/zinc/80/23/87/1144802387.db2.gz RWLSBINIAIYKME-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001279589714 1144825236 /nfs/dbraw/zinc/82/52/36/1144825236.db2.gz YWRSWFMYEXJBKC-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281683052 1144907856 /nfs/dbraw/zinc/90/78/56/1144907856.db2.gz MIWPDTXBEBANDB-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001283307345 1145354479 /nfs/dbraw/zinc/35/44/79/1145354479.db2.gz NBRLKRJPQSHZMU-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC001284072890 1145786370 /nfs/dbraw/zinc/78/63/70/1145786370.db2.gz XANIQIGUMZHQAL-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284072890 1145786379 /nfs/dbraw/zinc/78/63/79/1145786379.db2.gz XANIQIGUMZHQAL-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001284072890 1145786390 /nfs/dbraw/zinc/78/63/90/1145786390.db2.gz XANIQIGUMZHQAL-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001316638434 1146078228 /nfs/dbraw/zinc/07/82/28/1146078228.db2.gz VZIDSBKCXOKOIO-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316638958 1146118647 /nfs/dbraw/zinc/11/86/47/1146118647.db2.gz CRAMWBZWHLTMSR-KBAYOESNSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316644238 1146757476 /nfs/dbraw/zinc/75/74/76/1146757476.db2.gz LUUWHXXMXIYMAH-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492154733 1147102173 /nfs/dbraw/zinc/10/21/73/1147102173.db2.gz SKJHYUSSQKZYMJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001492154733 1147102174 /nfs/dbraw/zinc/10/21/74/1147102174.db2.gz SKJHYUSSQKZYMJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001492154733 1147102178 /nfs/dbraw/zinc/10/21/78/1147102178.db2.gz SKJHYUSSQKZYMJ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001316804323 1147603422 /nfs/dbraw/zinc/60/34/22/1147603422.db2.gz GEKQOMLFYUCWMY-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316877345 1147619276 /nfs/dbraw/zinc/61/92/76/1147619276.db2.gz JXTRXKBDBPNTID-DLBZAZTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001316982614 1147643318 /nfs/dbraw/zinc/64/33/18/1147643318.db2.gz NWLFPTAARQUQNE-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317024051 1147649443 /nfs/dbraw/zinc/64/94/43/1147649443.db2.gz CYGNSUGGWCGNTK-IAGOWNOFSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317046237 1147652569 /nfs/dbraw/zinc/65/25/69/1147652569.db2.gz ZHVIFDNLFNIBJY-DLBZAZTESA-N 2 1 309.498 2.319 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001317060270 1147654612 /nfs/dbraw/zinc/65/46/12/1147654612.db2.gz ZUZGLJPBVDRQFE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001317060270 1147654614 /nfs/dbraw/zinc/65/46/14/1147654614.db2.gz ZUZGLJPBVDRQFE-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001317675800 1147742150 /nfs/dbraw/zinc/74/21/50/1147742150.db2.gz NKYCOLULVSMCMX-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001318273196 1147806295 /nfs/dbraw/zinc/80/62/95/1147806295.db2.gz OOWNQMCZAMAJBE-QZWWFDLISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001318273196 1147806299 /nfs/dbraw/zinc/80/62/99/1147806299.db2.gz OOWNQMCZAMAJBE-QZWWFDLISA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318273196 1147806300 /nfs/dbraw/zinc/80/63/00/1147806300.db2.gz OOWNQMCZAMAJBE-QZWWFDLISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300803 1147808855 /nfs/dbraw/zinc/80/88/55/1147808855.db2.gz AXHNYOQLMYSIRF-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324978347 1147863589 /nfs/dbraw/zinc/86/35/89/1147863589.db2.gz SKJJOKBUXVMAMM-SFHVURJKSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001324978346 1147863775 /nfs/dbraw/zinc/86/37/75/1147863775.db2.gz SKJJOKBUXVMAMM-GOSISDBHSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001326899382 1148285828 /nfs/dbraw/zinc/28/58/28/1148285828.db2.gz OASHIFZTLVLXRZ-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368171461 1148302291 /nfs/dbraw/zinc/30/22/91/1148302291.db2.gz JSOKJHVIYRHVPU-INIZCTEOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368171461 1148302298 /nfs/dbraw/zinc/30/22/98/1148302298.db2.gz JSOKJHVIYRHVPU-INIZCTEOSA-N 2 1 313.873 2.051 20 30 DEEDMP CN1CC[NH+]=C1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262689580 529778749 /nfs/dbraw/zinc/77/87/49/529778749.db2.gz ZUNIKGVHJPPTGF-WFASDCNBSA-N 2 1 324.831 2.363 20 30 DEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083035490 355462339 /nfs/dbraw/zinc/46/23/39/355462339.db2.gz MENLRYGXEGKXAA-UKRRQHHQSA-N 2 1 304.438 2.145 20 30 DEEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000590604930 357566455 /nfs/dbraw/zinc/56/64/55/357566455.db2.gz RWJPFGCLYWIYPE-SFHVURJKSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000590604930 357566456 /nfs/dbraw/zinc/56/64/56/357566456.db2.gz RWJPFGCLYWIYPE-SFHVURJKSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000590604930 357566458 /nfs/dbraw/zinc/56/64/58/357566458.db2.gz RWJPFGCLYWIYPE-SFHVURJKSA-N 2 1 303.450 2.471 20 30 DEEDMP CCC[NH+](Cc1ccc(C#N)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000590604930 357566460 /nfs/dbraw/zinc/56/64/60/357566460.db2.gz RWJPFGCLYWIYPE-SFHVURJKSA-N 2 1 303.450 2.471 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001422121081 1172319246 /nfs/dbraw/zinc/31/92/46/1172319246.db2.gz MGKLWNCXGLTRPR-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP COCC#CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000677133361 541545803 /nfs/dbraw/zinc/54/58/03/541545803.db2.gz RZFAPFYDIUVQIV-UHFFFAOYSA-N 2 1 300.446 2.480 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H](C)COC)c1ccccc1 ZINC000264134527 284766035 /nfs/dbraw/zinc/76/60/35/284766035.db2.gz UVVRNFDARNVEBX-ZBFHGGJFSA-N 2 1 306.454 2.009 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000537661777 285010354 /nfs/dbraw/zinc/01/03/54/285010354.db2.gz UWFCJGOCWOQQEC-MRXNPFEDSA-N 2 1 318.490 2.220 20 30 DEEDMP COc1ccccc1[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCCC1 ZINC000262653270 533011669 /nfs/dbraw/zinc/01/16/69/533011669.db2.gz KXZFAYJVEJENBL-INIZCTEOSA-N 2 1 316.449 2.113 20 30 DEEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000269440593 403139905 /nfs/dbraw/zinc/13/99/05/403139905.db2.gz SKUYOCFNKXODGE-INIZCTEOSA-N 2 1 305.397 2.024 20 30 DEEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000330607047 403287811 /nfs/dbraw/zinc/28/78/11/403287811.db2.gz LGUMETLTPQNDNC-CQSZACIVSA-N 2 1 319.424 2.222 20 30 DEEDMP C[N@@H+](CCOCCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292939109 403384376 /nfs/dbraw/zinc/38/43/76/403384376.db2.gz ZWEXVRFXKXSKGI-GOSISDBHSA-N 2 1 301.434 2.371 20 30 DEEDMP C[NH+](CCOCCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292939109 403384382 /nfs/dbraw/zinc/38/43/82/403384382.db2.gz ZWEXVRFXKXSKGI-GOSISDBHSA-N 2 1 301.434 2.371 20 30 DEEDMP C[NH+](CCOCCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292939109 403384385 /nfs/dbraw/zinc/38/43/85/403384385.db2.gz ZWEXVRFXKXSKGI-GOSISDBHSA-N 2 1 301.434 2.371 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000295081476 403754001 /nfs/dbraw/zinc/75/40/01/403754001.db2.gz TYOJFFYPHHFTOS-HNNXBMFYSA-N 2 1 302.418 2.454 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000295081476 403754007 /nfs/dbraw/zinc/75/40/07/403754007.db2.gz TYOJFFYPHHFTOS-HNNXBMFYSA-N 2 1 302.418 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000362857790 403994747 /nfs/dbraw/zinc/99/47/47/403994747.db2.gz YAANRYIJVJLKPX-QGZVFWFLSA-N 2 1 322.497 2.009 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCSCC1 ZINC000262790102 225285016 /nfs/dbraw/zinc/28/50/16/225285016.db2.gz KLBWIOALQHLHDH-HNNXBMFYSA-N 2 1 310.511 2.147 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)nn1 ZINC000653497149 425160272 /nfs/dbraw/zinc/16/02/72/425160272.db2.gz SXUYCLDDYMGGRY-UHFFFAOYSA-N 2 1 305.470 2.408 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nn1 ZINC000662293014 425615754 /nfs/dbraw/zinc/61/57/54/425615754.db2.gz IHLAWXCCUUTWIG-INIZCTEOSA-N 2 1 303.454 2.066 20 30 DEEDMP C=CC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662682514 425711900 /nfs/dbraw/zinc/71/19/00/425711900.db2.gz INNLBQAWEXXBEA-SJLPKXTDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000662749697 425728744 /nfs/dbraw/zinc/72/87/44/425728744.db2.gz OEQKXLUYZNMPFK-GOSISDBHSA-N 2 1 319.424 2.072 20 30 DEEDMP C#Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377621127 275387194 /nfs/dbraw/zinc/38/71/94/275387194.db2.gz AWLGKHTVHPJKMR-HXUWFJFHSA-N 2 1 311.473 2.268 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000246271977 276386524 /nfs/dbraw/zinc/38/65/24/276386524.db2.gz BKNYTWVBMMXLFW-VQIMIIECSA-N 2 1 312.461 2.331 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001423636117 1173459165 /nfs/dbraw/zinc/45/91/65/1173459165.db2.gz LDWQCAIEUKIYKC-ZBFHGGJFSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000569212705 341694203 /nfs/dbraw/zinc/69/42/03/341694203.db2.gz HZGRHAVDMSTAGE-GOSISDBHSA-N 2 1 318.461 2.283 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376979712 1159862591 /nfs/dbraw/zinc/86/25/91/1159862591.db2.gz KDGHZHMTHANZBZ-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001378419607 1152322885 /nfs/dbraw/zinc/32/28/85/1152322885.db2.gz YJXKKCCHARTXSE-HOCLYGCPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244292 1149079307 /nfs/dbraw/zinc/07/93/07/1149079307.db2.gz KHNITLXFUBNVQQ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001330244292 1149079315 /nfs/dbraw/zinc/07/93/15/1149079315.db2.gz KHNITLXFUBNVQQ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCCn2cc[nH+]c2C)cc1Cl ZINC000261995592 533988061 /nfs/dbraw/zinc/98/80/61/533988061.db2.gz NOHMOUKJOYREFL-UHFFFAOYSA-N 2 1 307.785 2.280 20 30 DEEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCC2(C1)CCCCC2 ZINC000262306773 526367546 /nfs/dbraw/zinc/36/75/46/526367546.db2.gz ARXFOQNLDSJTLV-UHFFFAOYSA-N 2 1 303.454 2.423 20 30 DEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccccc1 ZINC000262776416 526374373 /nfs/dbraw/zinc/37/43/73/526374373.db2.gz JLHDOCWDSNXFNU-KRWDZBQOSA-N 2 1 320.506 2.131 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000337208479 526512792 /nfs/dbraw/zinc/51/27/92/526512792.db2.gz QSYWYUFJYJNMIZ-ZOBUZTSGSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000337208479 526512795 /nfs/dbraw/zinc/51/27/95/526512795.db2.gz QSYWYUFJYJNMIZ-ZOBUZTSGSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCOCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000339012028 526767325 /nfs/dbraw/zinc/76/73/25/526767325.db2.gz GBGXKKFBQYSZOJ-UHFFFAOYSA-N 2 1 323.525 2.317 20 30 DEEDMP C=CCOCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339012028 526767329 /nfs/dbraw/zinc/76/73/29/526767329.db2.gz GBGXKKFBQYSZOJ-UHFFFAOYSA-N 3 1 323.525 2.317 20 30 DEEDMP C=CCOCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339012028 526767335 /nfs/dbraw/zinc/76/73/35/526767335.db2.gz GBGXKKFBQYSZOJ-UHFFFAOYSA-N 3 1 323.525 2.317 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000295024675 526826275 /nfs/dbraw/zinc/82/62/75/526826275.db2.gz NXZYAWOTRYWCSS-MRXNPFEDSA-N 2 1 302.418 2.236 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000295024675 526826282 /nfs/dbraw/zinc/82/62/82/526826282.db2.gz NXZYAWOTRYWCSS-MRXNPFEDSA-N 2 1 302.418 2.236 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000294859777 526827872 /nfs/dbraw/zinc/82/78/72/526827872.db2.gz BXLBALPQQDUFPE-OAHLLOKOSA-N 2 1 304.434 2.180 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000294859777 526827877 /nfs/dbraw/zinc/82/78/77/526827877.db2.gz BXLBALPQQDUFPE-OAHLLOKOSA-N 2 1 304.434 2.180 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCSC(C)(C)C2)C1 ZINC000261755579 528249398 /nfs/dbraw/zinc/24/93/98/528249398.db2.gz CMRWTUHIEAVZDX-AWEZNQCLSA-N 2 1 312.527 2.121 20 30 DEEDMP CCCNc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000193062583 528562404 /nfs/dbraw/zinc/56/24/04/528562404.db2.gz YGEWTLVMKBXCDN-QGZVFWFLSA-N 2 1 317.481 2.397 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCS[C@@H](CC)C1 ZINC000261805487 528812098 /nfs/dbraw/zinc/81/20/98/528812098.db2.gz HGKLZOIQXXDWMF-GJZGRUSLSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267475286 529073875 /nfs/dbraw/zinc/07/38/75/529073875.db2.gz ZECDRWOPJDLHPS-ZACQAIPSSA-N 2 1 300.450 2.006 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001379588292 1152647428 /nfs/dbraw/zinc/64/74/28/1152647428.db2.gz SNVMXZKGZFTEJD-HIFRSBDPSA-N 2 1 324.856 2.303 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253908 625309420 /nfs/dbraw/zinc/30/94/20/625309420.db2.gz YGEXKWPOHQQKBJ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253908 625309427 /nfs/dbraw/zinc/30/94/27/625309427.db2.gz YGEXKWPOHQQKBJ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253908 625309432 /nfs/dbraw/zinc/30/94/32/625309432.db2.gz YGEXKWPOHQQKBJ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632383 625364583 /nfs/dbraw/zinc/36/45/83/625364583.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632383 625364586 /nfs/dbraw/zinc/36/45/86/625364586.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632383 625364589 /nfs/dbraw/zinc/36/45/89/625364589.db2.gz LLHQVZZMZGLQQX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026507124 625488810 /nfs/dbraw/zinc/48/88/10/625488810.db2.gz MWDKNQAUVCEDHS-LEOMRAHMSA-N 2 1 317.477 2.044 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156362 622596481 /nfs/dbraw/zinc/59/64/81/622596481.db2.gz RBAOHOADVQPCRN-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156499 622597207 /nfs/dbraw/zinc/59/72/07/622597207.db2.gz UJJGIYJZRGQLNY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326401 623402797 /nfs/dbraw/zinc/40/27/97/623402797.db2.gz RMMKRMOEEBJKKU-YJBOKZPZSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326399 623402865 /nfs/dbraw/zinc/40/28/65/623402865.db2.gz RMMKRMOEEBJKKU-MAUKXSAKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529845 623523453 /nfs/dbraw/zinc/52/34/53/623523453.db2.gz TYUQJLXHPBOUAU-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719961 623641803 /nfs/dbraw/zinc/64/18/03/623641803.db2.gz XNMFBHDLQJMMFN-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605250 623822458 /nfs/dbraw/zinc/82/24/58/623822458.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605250 623822466 /nfs/dbraw/zinc/82/24/66/623822466.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605250 623822477 /nfs/dbraw/zinc/82/24/77/623822477.db2.gz LXDSXVIIONAWCT-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566236 624187694 /nfs/dbraw/zinc/18/76/94/624187694.db2.gz CDOAOFCFMQPCEL-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971566236 624187695 /nfs/dbraw/zinc/18/76/95/624187695.db2.gz CDOAOFCFMQPCEL-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566236 624187696 /nfs/dbraw/zinc/18/76/96/624187696.db2.gz CDOAOFCFMQPCEL-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971566236 624187697 /nfs/dbraw/zinc/18/76/97/624187697.db2.gz CDOAOFCFMQPCEL-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971712292 624517643 /nfs/dbraw/zinc/51/76/43/624517643.db2.gz IPHLUKMJRHCXTN-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC000971712292 624517647 /nfs/dbraw/zinc/51/76/47/624517647.db2.gz IPHLUKMJRHCXTN-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971712292 624517654 /nfs/dbraw/zinc/51/76/54/624517654.db2.gz IPHLUKMJRHCXTN-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971712292 624517664 /nfs/dbraw/zinc/51/76/64/624517664.db2.gz IPHLUKMJRHCXTN-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001020239390 625052259 /nfs/dbraw/zinc/05/22/59/625052259.db2.gz YYDITESHPIULKT-BFYDXBDKSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023377085 625244126 /nfs/dbraw/zinc/24/41/26/625244126.db2.gz FEYDMKRZWIUVCL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023377085 625244129 /nfs/dbraw/zinc/24/41/29/625244129.db2.gz FEYDMKRZWIUVCL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023377085 625244132 /nfs/dbraw/zinc/24/41/32/625244132.db2.gz FEYDMKRZWIUVCL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410113 625257488 /nfs/dbraw/zinc/25/74/88/625257488.db2.gz ODYSWWLYLRWYEY-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410113 625257490 /nfs/dbraw/zinc/25/74/90/625257490.db2.gz ODYSWWLYLRWYEY-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410113 625257492 /nfs/dbraw/zinc/25/74/92/625257492.db2.gz ODYSWWLYLRWYEY-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023412333 625259258 /nfs/dbraw/zinc/25/92/58/625259258.db2.gz PLPMFYVMPXRCTH-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023412333 625259260 /nfs/dbraw/zinc/25/92/60/625259260.db2.gz PLPMFYVMPXRCTH-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696677 634446873 /nfs/dbraw/zinc/44/68/73/634446873.db2.gz QPRCPVJJTVRAFM-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696677 634446875 /nfs/dbraw/zinc/44/68/75/634446875.db2.gz QPRCPVJJTVRAFM-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999346312 634567722 /nfs/dbraw/zinc/56/77/22/634567722.db2.gz DEKLDKMVXGDXTN-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999350899 634569827 /nfs/dbraw/zinc/56/98/27/634569827.db2.gz CKHULEDUWXGAOB-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586855 633165872 /nfs/dbraw/zinc/16/58/72/633165872.db2.gz KQXWDVUGXIUEMJ-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996677648 633347915 /nfs/dbraw/zinc/34/79/15/633347915.db2.gz WVSCWDYWVRPEQR-DLBZAZTESA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996692795 633350264 /nfs/dbraw/zinc/35/02/64/633350264.db2.gz YFCUWHDPQPJWLM-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762135 633371582 /nfs/dbraw/zinc/37/15/82/633371582.db2.gz SFIJYRUKYODJJU-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974944136 633375967 /nfs/dbraw/zinc/37/59/67/633375967.db2.gz GBCOGJCZVROTDH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974944136 633375970 /nfs/dbraw/zinc/37/59/70/633375970.db2.gz GBCOGJCZVROTDH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974944136 633375973 /nfs/dbraw/zinc/37/59/73/633375973.db2.gz GBCOGJCZVROTDH-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006289 634107336 /nfs/dbraw/zinc/10/73/36/634107336.db2.gz KLEUKFLOEUOJAE-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000998194228 634165942 /nfs/dbraw/zinc/16/59/42/634165942.db2.gz CQPMOXIHTPKCEO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980144774 634861952 /nfs/dbraw/zinc/86/19/52/634861952.db2.gz BNEOYZGNCDMGPP-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3ncc[nH]3)C[C@@H]2C1 ZINC000980232337 634907135 /nfs/dbraw/zinc/90/71/35/634907135.db2.gz WGYIKGYKTKZLNR-XHSDSOJGSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC000981197805 635357577 /nfs/dbraw/zinc/35/75/77/635357577.db2.gz PIUCNIBMPVKMID-OAHLLOKOSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197805 635357583 /nfs/dbraw/zinc/35/75/83/635357583.db2.gz PIUCNIBMPVKMID-OAHLLOKOSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001251352 635441594 /nfs/dbraw/zinc/44/15/94/635441594.db2.gz DPIOUVGZZMOYRK-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001251352 635441598 /nfs/dbraw/zinc/44/15/98/635441598.db2.gz DPIOUVGZZMOYRK-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001251352 635441603 /nfs/dbraw/zinc/44/16/03/635441603.db2.gz DPIOUVGZZMOYRK-ZWKOTPCHSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088834 635457489 /nfs/dbraw/zinc/45/74/89/635457489.db2.gz QPWKOBZKWUDONJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088834 635457491 /nfs/dbraw/zinc/45/74/91/635457491.db2.gz QPWKOBZKWUDONJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088834 635457493 /nfs/dbraw/zinc/45/74/93/635457493.db2.gz QPWKOBZKWUDONJ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088486 635458781 /nfs/dbraw/zinc/45/87/81/635458781.db2.gz JQKVZUFLVWFIPW-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088486 635458785 /nfs/dbraw/zinc/45/87/85/635458785.db2.gz JQKVZUFLVWFIPW-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001391740 635487108 /nfs/dbraw/zinc/48/71/08/635487108.db2.gz HIBJVGZYXZVVCF-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001478236 635516763 /nfs/dbraw/zinc/51/67/63/635516763.db2.gz ZCZMLZCFYPHUKG-GOSISDBHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911953 635574304 /nfs/dbraw/zinc/57/43/04/635574304.db2.gz RMCFHFMPFWVICO-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982063442 635851877 /nfs/dbraw/zinc/85/18/77/635851877.db2.gz PVTULASCBLCLLF-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982063442 635851879 /nfs/dbraw/zinc/85/18/79/635851879.db2.gz PVTULASCBLCLLF-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000982142480 635886957 /nfs/dbraw/zinc/88/69/57/635886957.db2.gz DIGHMNRGTUPVCY-HNNXBMFYSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003742726 636045257 /nfs/dbraw/zinc/04/52/57/636045257.db2.gz ZSVFTQZTVCGXEY-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004476669 636465113 /nfs/dbraw/zinc/46/51/13/636465113.db2.gz ZBXCDCQDDIDOOQ-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004476669 636465116 /nfs/dbraw/zinc/46/51/16/636465116.db2.gz ZBXCDCQDDIDOOQ-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237109477 636480796 /nfs/dbraw/zinc/48/07/96/636480796.db2.gz VGOIJPWXQSXTFQ-OAHLLOKOSA-N 2 1 317.433 2.178 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678289 636561436 /nfs/dbraw/zinc/56/14/36/636561436.db2.gz YBBKZANTVNAYLC-IYBDPMFKSA-N 2 1 324.428 2.304 20 30 DEEDMP C[NH+]=C(NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)NC1CC1 ZINC000186890361 636587653 /nfs/dbraw/zinc/58/76/53/636587653.db2.gz BKDTYAYHRUSKNE-KRWDZBQOSA-N 2 1 300.450 2.224 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005388692 636729390 /nfs/dbraw/zinc/72/93/90/636729390.db2.gz AXDWKZOUZLDJAB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504397 636753882 /nfs/dbraw/zinc/75/38/82/636753882.db2.gz QYFAUZVDJSEKEA-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934378 636870956 /nfs/dbraw/zinc/87/09/56/636870956.db2.gz CZPAUYFJJYISCF-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934378 636870958 /nfs/dbraw/zinc/87/09/58/636870958.db2.gz CZPAUYFJJYISCF-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934378 636870961 /nfs/dbraw/zinc/87/09/61/636870961.db2.gz CZPAUYFJJYISCF-OAHLLOKOSA-N 2 1 316.449 2.166 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385976 637154371 /nfs/dbraw/zinc/15/43/71/637154371.db2.gz IAGVCFMSQINIRS-RBUKOAKNSA-N 2 1 313.445 2.303 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946901740 637183949 /nfs/dbraw/zinc/18/39/49/637183949.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946901740 637183952 /nfs/dbraw/zinc/18/39/52/637183952.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946901740 637183956 /nfs/dbraw/zinc/18/39/56/637183956.db2.gz DMYIGFFAHRYVAZ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923487090 637201123 /nfs/dbraw/zinc/20/11/23/637201123.db2.gz WSMUAZYVZADKST-HUUCEWRRSA-N 2 1 321.490 2.322 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987103054 640087329 /nfs/dbraw/zinc/08/73/29/640087329.db2.gz NTTIAIUSYMNXFX-KBPBESRZSA-N 2 1 324.856 2.338 20 30 DEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150226 650660730 /nfs/dbraw/zinc/66/07/30/650660730.db2.gz OTGRAFODRDZPGZ-ZWKOTPCHSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150226 650660735 /nfs/dbraw/zinc/66/07/35/650660735.db2.gz OTGRAFODRDZPGZ-ZWKOTPCHSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150226 650660736 /nfs/dbraw/zinc/66/07/36/650660736.db2.gz OTGRAFODRDZPGZ-ZWKOTPCHSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150226 650660739 /nfs/dbraw/zinc/66/07/39/650660739.db2.gz OTGRAFODRDZPGZ-ZWKOTPCHSA-N 2 1 301.434 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990634117 641563986 /nfs/dbraw/zinc/56/39/86/641563986.db2.gz BGYNZYNERVFXPW-SOLBZPMBSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990634117 641563989 /nfs/dbraw/zinc/56/39/89/641563989.db2.gz BGYNZYNERVFXPW-SOLBZPMBSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990634117 641563991 /nfs/dbraw/zinc/56/39/91/641563991.db2.gz BGYNZYNERVFXPW-SOLBZPMBSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000900664333 642437639 /nfs/dbraw/zinc/43/76/39/642437639.db2.gz JHTXKUCQNRVEDR-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000900664333 642437641 /nfs/dbraw/zinc/43/76/41/642437641.db2.gz JHTXKUCQNRVEDR-QGZVFWFLSA-N 2 1 315.461 2.227 20 30 DEEDMP C[C@@H]1CNC(NN=C2CCCC[C@H]2[N@@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797189 642539985 /nfs/dbraw/zinc/53/99/85/642539985.db2.gz BJUCOIRDHKEEBI-HLPPOEQASA-N 2 1 305.470 2.200 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992156728 646877121 /nfs/dbraw/zinc/87/71/21/646877121.db2.gz XBIZWEJKSTVAGY-PKOBYXMFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156720 646877404 /nfs/dbraw/zinc/87/74/04/646877404.db2.gz XBIZWEJKSTVAGY-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000913757047 647033195 /nfs/dbraw/zinc/03/31/95/647033195.db2.gz JOECCRQHRLEAEO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819024765 647566670 /nfs/dbraw/zinc/56/66/70/647566670.db2.gz UYSOAPOBRPZPRI-KRWDZBQOSA-N 2 1 319.405 2.258 20 30 DEEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819151980 647595758 /nfs/dbraw/zinc/59/57/58/647595758.db2.gz JPJQVJCYZAKDQC-SJLPKXTDSA-N 2 1 301.434 2.159 20 30 DEEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000915680341 647602704 /nfs/dbraw/zinc/60/27/04/647602704.db2.gz BTLHBEFNHYFOIO-SFHVURJKSA-N 2 1 301.434 2.227 20 30 DEEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000915680341 647602706 /nfs/dbraw/zinc/60/27/06/647602706.db2.gz BTLHBEFNHYFOIO-SFHVURJKSA-N 2 1 301.434 2.227 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745718 648933202 /nfs/dbraw/zinc/93/32/02/648933202.db2.gz SVRRKAOZDCWSPG-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896816 648964799 /nfs/dbraw/zinc/96/47/99/648964799.db2.gz YPPISLDTGWEUDT-KRWDZBQOSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948381019 649114561 /nfs/dbraw/zinc/11/45/61/649114561.db2.gz CAGHIJZEMZYENA-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381019 649114563 /nfs/dbraw/zinc/11/45/63/649114563.db2.gz CAGHIJZEMZYENA-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381019 649114566 /nfs/dbraw/zinc/11/45/66/649114566.db2.gz CAGHIJZEMZYENA-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755480 649422423 /nfs/dbraw/zinc/42/24/23/649422423.db2.gz FERHTXPVXGNSEY-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047661 649475316 /nfs/dbraw/zinc/47/53/16/649475316.db2.gz UYPURBAWDIFDQS-CRAIPNDOSA-N 2 1 319.493 2.121 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000848996189 651575805 /nfs/dbraw/zinc/57/58/05/651575805.db2.gz JGUAMWXTCZMDRD-QGZVFWFLSA-N 2 1 302.466 2.424 20 30 DEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1snc(Cl)c1C#N ZINC000853773553 652602361 /nfs/dbraw/zinc/60/23/61/652602361.db2.gz HUFDXBIOAGJOLC-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1snc(Cl)c1C#N ZINC000853773553 652602363 /nfs/dbraw/zinc/60/23/63/652602363.db2.gz HUFDXBIOAGJOLC-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DEEDMP [NH2+]=C(NCC1CCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304762567 685260984 /nfs/dbraw/zinc/26/09/84/685260984.db2.gz VVDVCQRQEPKXEN-QGZVFWFLSA-N 2 1 300.450 2.355 20 30 DEEDMP CCOc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305036510 685265762 /nfs/dbraw/zinc/26/57/62/685265762.db2.gz STHGBIJFOKMBBP-INIZCTEOSA-N 2 1 318.465 2.282 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1cccc(F)c1 ZINC000305812757 685301390 /nfs/dbraw/zinc/30/13/90/685301390.db2.gz KILPUTABXWZVHW-MRXNPFEDSA-N 2 1 321.444 2.016 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001394513918 1158602644 /nfs/dbraw/zinc/60/26/44/1158602644.db2.gz BGBGWRITJDEIET-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCSc1ccccc1 ZINC000104156753 684058224 /nfs/dbraw/zinc/05/82/24/684058224.db2.gz LEAVGCIPOSMOAM-AWEZNQCLSA-N 2 1 306.479 2.167 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192386 693876277 /nfs/dbraw/zinc/87/62/77/693876277.db2.gz WNMIUPIWHXHLOX-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259199 693904964 /nfs/dbraw/zinc/90/49/64/693904964.db2.gz PGCMUQRTPMWUBR-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259199 693904966 /nfs/dbraw/zinc/90/49/66/693904966.db2.gz PGCMUQRTPMWUBR-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259199 693904968 /nfs/dbraw/zinc/90/49/68/693904968.db2.gz PGCMUQRTPMWUBR-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000303789650 685235443 /nfs/dbraw/zinc/23/54/43/685235443.db2.gz VLVVSEMCBHCWAC-OAHLLOKOSA-N 2 1 320.506 2.476 20 30 DEEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303876767 685236256 /nfs/dbraw/zinc/23/62/56/685236256.db2.gz IJBWOYZKRIEGNP-QGZVFWFLSA-N 2 1 302.466 2.426 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971314 685240923 /nfs/dbraw/zinc/24/09/23/685240923.db2.gz DISWJADKGSMKFU-INIZCTEOSA-N 2 1 318.465 2.153 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016687264 687682299 /nfs/dbraw/zinc/68/22/99/687682299.db2.gz GFRRHPJFZUQSKK-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016689429 687683401 /nfs/dbraw/zinc/68/34/01/687683401.db2.gz ZXHYRHRNGJUCPE-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016700096 687685528 /nfs/dbraw/zinc/68/55/28/687685528.db2.gz BQHNZRGRPIUVJA-DLBZAZTESA-N 2 1 319.493 2.264 20 30 DEEDMP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867960625 687851035 /nfs/dbraw/zinc/85/10/35/687851035.db2.gz NSAAZMGQLRTXCD-SGTLLEGYSA-N 2 1 320.396 2.403 20 30 DEEDMP C[NH2+]Cc1ccccc1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867966150 687853436 /nfs/dbraw/zinc/85/34/36/687853436.db2.gz MFWXJBHHSACJFV-SFHVURJKSA-N 2 1 320.396 2.103 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176364 688071867 /nfs/dbraw/zinc/07/18/67/688071867.db2.gz HVYJAHMYICZMRI-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018300611 688104306 /nfs/dbraw/zinc/10/43/06/688104306.db2.gz CCGSHIYHIIPREB-LUKYLMHMSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018300611 688104307 /nfs/dbraw/zinc/10/43/07/688104307.db2.gz CCGSHIYHIIPREB-LUKYLMHMSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404609 689142329 /nfs/dbraw/zinc/14/23/29/689142329.db2.gz OQOWBPSMOYETGW-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628432 689206657 /nfs/dbraw/zinc/20/66/57/689206657.db2.gz ANSCUBKOERCGIN-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628432 689206660 /nfs/dbraw/zinc/20/66/60/689206660.db2.gz ANSCUBKOERCGIN-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628432 689206662 /nfs/dbraw/zinc/20/66/62/689206662.db2.gz ANSCUBKOERCGIN-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467943 689510967 /nfs/dbraw/zinc/51/09/67/689510967.db2.gz UVEGRNCBZAIJMZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577101 689549112 /nfs/dbraw/zinc/54/91/12/689549112.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577101 689549116 /nfs/dbraw/zinc/54/91/16/689549116.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577101 689549120 /nfs/dbraw/zinc/54/91/20/689549120.db2.gz ZEAMEPOLQBINOA-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932354 689666318 /nfs/dbraw/zinc/66/63/18/689666318.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932354 689666320 /nfs/dbraw/zinc/66/63/20/689666320.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033932354 689666323 /nfs/dbraw/zinc/66/63/23/689666323.db2.gz LWFBDMVXRWQMKV-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012403 689693120 /nfs/dbraw/zinc/69/31/20/689693120.db2.gz NJBGAFSRMAFYJX-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238931 689776446 /nfs/dbraw/zinc/77/64/46/689776446.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238931 689776447 /nfs/dbraw/zinc/77/64/47/689776447.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238931 689776448 /nfs/dbraw/zinc/77/64/48/689776448.db2.gz OYCSMMFXJOQQBN-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034440029 689851185 /nfs/dbraw/zinc/85/11/85/689851185.db2.gz YMKJUUDKZRXKIW-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440029 689851188 /nfs/dbraw/zinc/85/11/88/689851188.db2.gz YMKJUUDKZRXKIW-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440029 689851193 /nfs/dbraw/zinc/85/11/93/689851193.db2.gz YMKJUUDKZRXKIW-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464435 689860233 /nfs/dbraw/zinc/86/02/33/689860233.db2.gz YIAIWYQBZYMXLF-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001034649039 689918338 /nfs/dbraw/zinc/91/83/38/689918338.db2.gz CQWSBOWHIMHBLD-LUKYLMHMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000876877078 689961484 /nfs/dbraw/zinc/96/14/84/689961484.db2.gz NCBCHXWXJCCBPF-BARDWOONSA-N 2 1 313.873 2.320 20 30 DEEDMP C#CCCCCCC[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000877009317 689996382 /nfs/dbraw/zinc/99/63/82/689996382.db2.gz WGXRICHPLIQKDM-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035187514 690054701 /nfs/dbraw/zinc/05/47/01/690054701.db2.gz YVIHYOSNBHYFNJ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187514 690054702 /nfs/dbraw/zinc/05/47/02/690054702.db2.gz YVIHYOSNBHYFNJ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187514 690054703 /nfs/dbraw/zinc/05/47/03/690054703.db2.gz YVIHYOSNBHYFNJ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194236 690056531 /nfs/dbraw/zinc/05/65/31/690056531.db2.gz WYDAFACYOWXGTJ-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206415 690059773 /nfs/dbraw/zinc/05/97/73/690059773.db2.gz FUSAONMHJINHLG-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206415 690059777 /nfs/dbraw/zinc/05/97/77/690059777.db2.gz FUSAONMHJINHLG-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035732568 690163613 /nfs/dbraw/zinc/16/36/13/690163613.db2.gz DZDJDWVYFUWQHA-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779922 690174762 /nfs/dbraw/zinc/17/47/62/690174762.db2.gz YFRSLFVXQFPNPP-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773142 690468646 /nfs/dbraw/zinc/46/86/46/690468646.db2.gz ITAPTODDNFQPSB-YOEHRIQHSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793985 690476706 /nfs/dbraw/zinc/47/67/06/690476706.db2.gz NREZCJUGBRZRJC-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1CC ZINC001037863347 690626650 /nfs/dbraw/zinc/62/66/50/690626650.db2.gz XUHHGXADARLEHO-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241502 691065391 /nfs/dbraw/zinc/06/53/91/691065391.db2.gz BSSIHMYJYZQIGE-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241502 691065393 /nfs/dbraw/zinc/06/53/93/691065393.db2.gz BSSIHMYJYZQIGE-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039297855 691076697 /nfs/dbraw/zinc/07/66/97/691076697.db2.gz BYIMPZIELXZZOF-MGNMYUMUSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039393825 691096051 /nfs/dbraw/zinc/09/60/51/691096051.db2.gz JRCVJKKEACQYIZ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039393825 691096054 /nfs/dbraw/zinc/09/60/54/691096054.db2.gz JRCVJKKEACQYIZ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039393825 691096058 /nfs/dbraw/zinc/09/60/58/691096058.db2.gz JRCVJKKEACQYIZ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040114368 691199786 /nfs/dbraw/zinc/19/97/86/691199786.db2.gz KGXDNCQGYBWPPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040114368 691199789 /nfs/dbraw/zinc/19/97/89/691199789.db2.gz KGXDNCQGYBWPPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040114368 691199791 /nfs/dbraw/zinc/19/97/91/691199791.db2.gz KGXDNCQGYBWPPK-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240149 691218345 /nfs/dbraw/zinc/21/83/45/691218345.db2.gz CHSYFRPJJNDATP-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(CC=C)c(O)c(OC)c1 ZINC000883131480 691436719 /nfs/dbraw/zinc/43/67/19/691436719.db2.gz DKWQUNZZMVHNRH-UHFFFAOYSA-N 2 1 302.418 2.174 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(CC=C)c(O)c(OC)c1 ZINC000883131480 691436721 /nfs/dbraw/zinc/43/67/21/691436721.db2.gz DKWQUNZZMVHNRH-UHFFFAOYSA-N 2 1 302.418 2.174 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845660 691444402 /nfs/dbraw/zinc/44/44/02/691444402.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845660 691444404 /nfs/dbraw/zinc/44/44/04/691444404.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845660 691444408 /nfs/dbraw/zinc/44/44/08/691444408.db2.gz MLFLDGZEEBGNCU-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000883186267 691452239 /nfs/dbraw/zinc/45/22/39/691452239.db2.gz OJHKFOCOQUUIEZ-ROUUACIJSA-N 2 1 309.498 2.117 20 30 DEEDMP C=CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCCO1 ZINC000883186102 691452327 /nfs/dbraw/zinc/45/23/27/691452327.db2.gz LJMNOKUKGGOHLA-RBUKOAKNSA-N 2 1 323.525 2.363 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233040 691542292 /nfs/dbraw/zinc/54/22/92/691542292.db2.gz BXMUSFJHTDJCRD-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233040 691542297 /nfs/dbraw/zinc/54/22/97/691542297.db2.gz BXMUSFJHTDJCRD-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233040 691542301 /nfs/dbraw/zinc/54/23/01/691542301.db2.gz BXMUSFJHTDJCRD-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042286535 691557476 /nfs/dbraw/zinc/55/74/76/691557476.db2.gz ARJQADBFYOEFLQ-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001045529711 691993673 /nfs/dbraw/zinc/99/36/73/691993673.db2.gz VYQHEGXQGDDUMF-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000886212803 692025298 /nfs/dbraw/zinc/02/52/98/692025298.db2.gz FUUGEXQLLCPQEF-HXUWFJFHSA-N 2 1 311.473 2.338 20 30 DEEDMP N#CC1(C[C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000886264021 692038572 /nfs/dbraw/zinc/03/85/72/692038572.db2.gz MUFMAQYXNKPSHR-QGZVFWFLSA-N 2 1 314.433 2.039 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436744 692187899 /nfs/dbraw/zinc/18/78/99/692187899.db2.gz RNTFNDAWYZXWKP-SFHVURJKSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046563015 692224690 /nfs/dbraw/zinc/22/46/90/692224690.db2.gz ZHYYIRRUYZAKKI-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046563015 692224692 /nfs/dbraw/zinc/22/46/92/692224692.db2.gz ZHYYIRRUYZAKKI-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046563015 692224694 /nfs/dbraw/zinc/22/46/94/692224694.db2.gz ZHYYIRRUYZAKKI-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046563013 692224865 /nfs/dbraw/zinc/22/48/65/692224865.db2.gz ZHYYIRRUYZAKKI-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046563013 692224868 /nfs/dbraw/zinc/22/48/68/692224868.db2.gz ZHYYIRRUYZAKKI-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046563013 692224870 /nfs/dbraw/zinc/22/48/70/692224870.db2.gz ZHYYIRRUYZAKKI-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048539826 692642920 /nfs/dbraw/zinc/64/29/20/692642920.db2.gz MGIAVCRBCRTYFY-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048539826 692642921 /nfs/dbraw/zinc/64/29/21/692642921.db2.gz MGIAVCRBCRTYFY-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048539826 692642922 /nfs/dbraw/zinc/64/29/22/692642922.db2.gz MGIAVCRBCRTYFY-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562664 692647991 /nfs/dbraw/zinc/64/79/91/692647991.db2.gz QBFOLAHISXCNDE-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562664 692647995 /nfs/dbraw/zinc/64/79/95/692647995.db2.gz QBFOLAHISXCNDE-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562664 692647999 /nfs/dbraw/zinc/64/79/99/692647999.db2.gz QBFOLAHISXCNDE-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048910729 692721186 /nfs/dbraw/zinc/72/11/86/692721186.db2.gz GWPRGBRZEQHERK-IYBDPMFKSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910729 692721191 /nfs/dbraw/zinc/72/11/91/692721191.db2.gz GWPRGBRZEQHERK-IYBDPMFKSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048910729 692721194 /nfs/dbraw/zinc/72/11/94/692721194.db2.gz GWPRGBRZEQHERK-IYBDPMFKSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095225 692762571 /nfs/dbraw/zinc/76/25/71/692762571.db2.gz VGUQHCZPXVPSLG-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049568763 692924276 /nfs/dbraw/zinc/92/42/76/692924276.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568763 692924280 /nfs/dbraw/zinc/92/42/80/692924280.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049568763 692924283 /nfs/dbraw/zinc/92/42/83/692924283.db2.gz WERSTRCQAFESDE-KURKYZTESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568673 692924649 /nfs/dbraw/zinc/92/46/49/692924649.db2.gz VWTNHEVTNHERPA-DLBZAZTESA-N 2 1 317.477 2.256 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049656482 692955842 /nfs/dbraw/zinc/95/58/42/692955842.db2.gz XONMCMAGCZMLNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656482 692955846 /nfs/dbraw/zinc/95/58/46/692955846.db2.gz XONMCMAGCZMLNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656482 692955851 /nfs/dbraw/zinc/95/58/51/692955851.db2.gz XONMCMAGCZMLNT-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049693869 692966550 /nfs/dbraw/zinc/96/65/50/692966550.db2.gz PLDFEVMMCDXMEE-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760994 692991035 /nfs/dbraw/zinc/99/10/35/692991035.db2.gz FAESSFWZRITWIP-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050153819 693123800 /nfs/dbraw/zinc/12/38/00/693123800.db2.gz CKCIMCJWDGYBFH-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050153819 693123803 /nfs/dbraw/zinc/12/38/03/693123803.db2.gz CKCIMCJWDGYBFH-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050549536 693205103 /nfs/dbraw/zinc/20/51/03/693205103.db2.gz WYKAVZRCXODUJO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635715 693220073 /nfs/dbraw/zinc/22/00/73/693220073.db2.gz QIOUQJTZSBUSNA-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661060 693226941 /nfs/dbraw/zinc/22/69/41/693226941.db2.gz NTUNIJPGAZLVBM-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444612 693536775 /nfs/dbraw/zinc/53/67/75/693536775.db2.gz GSEDQDOISGBPAX-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444612 693536777 /nfs/dbraw/zinc/53/67/77/693536777.db2.gz GSEDQDOISGBPAX-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444612 693536779 /nfs/dbraw/zinc/53/67/79/693536779.db2.gz GSEDQDOISGBPAX-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052528646 693559071 /nfs/dbraw/zinc/55/90/71/693559071.db2.gz NQBCRYDMHGNGNK-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052528649 693559392 /nfs/dbraw/zinc/55/93/92/693559392.db2.gz NQBCRYDMHGNGNK-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052652036 693589587 /nfs/dbraw/zinc/58/95/87/693589587.db2.gz RLAGAKLKNZEJBU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652036 693589589 /nfs/dbraw/zinc/58/95/89/693589589.db2.gz RLAGAKLKNZEJBU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652036 693589592 /nfs/dbraw/zinc/58/95/92/693589592.db2.gz RLAGAKLKNZEJBU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838012 693629639 /nfs/dbraw/zinc/62/96/39/693629639.db2.gz YKBVQLMWAPNIPQ-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP O=C(C#CC1CC[NH2+]CC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001355426878 1152011145 /nfs/dbraw/zinc/01/11/45/1152011145.db2.gz QKRHPJRFXQTNCJ-UHFFFAOYSA-N 2 1 312.417 2.013 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001382135992 1153373094 /nfs/dbraw/zinc/37/30/94/1153373094.db2.gz QIJPTUWVJGUJDE-GJZGRUSLSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001392014098 1156849304 /nfs/dbraw/zinc/84/93/04/1156849304.db2.gz JMNNSURISMUWJM-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001376259317 1159299151 /nfs/dbraw/zinc/29/91/51/1159299151.db2.gz UCGKDRIVALFFTK-CQSZACIVSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001407206546 1165044389 /nfs/dbraw/zinc/04/43/89/1165044389.db2.gz KPTHPERVDQYFTI-MRXNPFEDSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001407206546 1165044392 /nfs/dbraw/zinc/04/43/92/1165044392.db2.gz KPTHPERVDQYFTI-MRXNPFEDSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001417839346 1167248376 /nfs/dbraw/zinc/24/83/76/1167248376.db2.gz KEEZLBCTRAZUTG-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001421432306 1171793749 /nfs/dbraw/zinc/79/37/49/1171793749.db2.gz NRDPCMSEZMCSIG-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001422121081 1172319243 /nfs/dbraw/zinc/31/92/43/1172319243.db2.gz MGKLWNCXGLTRPR-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424546365 1173826966 /nfs/dbraw/zinc/82/69/66/1173826966.db2.gz JYIHYOOXAAUYPA-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424546365 1173826969 /nfs/dbraw/zinc/82/69/69/1173826969.db2.gz JYIHYOOXAAUYPA-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439699409 1181204113 /nfs/dbraw/zinc/20/41/13/1181204113.db2.gz GPTFGRNXCBKUIY-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001439699409 1181204117 /nfs/dbraw/zinc/20/41/17/1181204117.db2.gz GPTFGRNXCBKUIY-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001440728278 1181658909 /nfs/dbraw/zinc/65/89/09/1181658909.db2.gz FRGSRDJOZRRGGL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001440728278 1181658914 /nfs/dbraw/zinc/65/89/14/1181658914.db2.gz FRGSRDJOZRRGGL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001440728278 1181658915 /nfs/dbraw/zinc/65/89/15/1181658915.db2.gz FRGSRDJOZRRGGL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001440728278 1181658917 /nfs/dbraw/zinc/65/89/17/1181658917.db2.gz FRGSRDJOZRRGGL-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001441010648 1181825104 /nfs/dbraw/zinc/82/51/04/1181825104.db2.gz WHEQZUJSJZLTHZ-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001441010648 1181825109 /nfs/dbraw/zinc/82/51/09/1181825109.db2.gz WHEQZUJSJZLTHZ-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001443920162 1183201920 /nfs/dbraw/zinc/20/19/20/1183201920.db2.gz UALKHLOUFTYCOS-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001443920155 1183202379 /nfs/dbraw/zinc/20/23/79/1183202379.db2.gz UALKHLOUFTYCOS-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827584 790263991 /nfs/dbraw/zinc/26/39/91/790263991.db2.gz PQKQVJGLJHVWAO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827584 790263996 /nfs/dbraw/zinc/26/39/96/790263996.db2.gz PQKQVJGLJHVWAO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827584 790264000 /nfs/dbraw/zinc/26/40/00/790264000.db2.gz PQKQVJGLJHVWAO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001370786636 1149835181 /nfs/dbraw/zinc/83/51/81/1149835181.db2.gz SVOMOCZSEWYDJC-OAHLLOKOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001370786636 1149835184 /nfs/dbraw/zinc/83/51/84/1149835184.db2.gz SVOMOCZSEWYDJC-OAHLLOKOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001370786636 1149835187 /nfs/dbraw/zinc/83/51/87/1149835187.db2.gz SVOMOCZSEWYDJC-OAHLLOKOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001370786636 1149835189 /nfs/dbraw/zinc/83/51/89/1149835189.db2.gz SVOMOCZSEWYDJC-OAHLLOKOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886526 790288511 /nfs/dbraw/zinc/28/85/11/790288511.db2.gz VHYAPEKCYYSVSE-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886526 790288515 /nfs/dbraw/zinc/28/85/15/790288515.db2.gz VHYAPEKCYYSVSE-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886526 790288521 /nfs/dbraw/zinc/28/85/21/790288521.db2.gz VHYAPEKCYYSVSE-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271951 782600435 /nfs/dbraw/zinc/60/04/35/782600435.db2.gz PZXHJKWFJGUYCL-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570940 782791261 /nfs/dbraw/zinc/79/12/61/782791261.db2.gz FQTNTDFIPCTRPS-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073035816 790409021 /nfs/dbraw/zinc/40/90/21/790409021.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035816 790409027 /nfs/dbraw/zinc/40/90/27/790409027.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035816 790409034 /nfs/dbraw/zinc/40/90/34/790409034.db2.gz VFAAEOPXSYMSBU-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821112 776652692 /nfs/dbraw/zinc/65/26/92/776652692.db2.gz LFYKPGZZLDMPOF-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425508 777018929 /nfs/dbraw/zinc/01/89/29/777018929.db2.gz GYLLULXTHGLRSG-SJORKVTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167588596 777359841 /nfs/dbraw/zinc/35/98/41/777359841.db2.gz VZYPNABZRWFFMI-UHFFFAOYSA-N 2 1 312.845 2.245 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1 ZINC001167677039 777592652 /nfs/dbraw/zinc/59/26/52/777592652.db2.gz GSFQYEVCUWBSER-GOSISDBHSA-N 2 1 323.444 2.442 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793914 778182068 /nfs/dbraw/zinc/18/20/68/778182068.db2.gz OXKQTYVAUHSUHF-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP CCCCCCC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551907 778690664 /nfs/dbraw/zinc/69/06/64/778690664.db2.gz MHQYNWMGMKQEIB-UHFFFAOYSA-N 2 1 324.469 2.416 20 30 DEEDMP C=C(C)C(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964606 779107936 /nfs/dbraw/zinc/10/79/36/779107936.db2.gz UQBBGNXUOJLHKC-ALOPSCKCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749501 779437306 /nfs/dbraw/zinc/43/73/06/779437306.db2.gz OAHIHZZXZJMZPR-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087993095 779619808 /nfs/dbraw/zinc/61/98/08/779619808.db2.gz ZIMIJCAQMFCTRQ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129583 779718725 /nfs/dbraw/zinc/71/87/25/779718725.db2.gz VGFNVIXLRJRSMN-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311836 779935706 /nfs/dbraw/zinc/93/57/06/779935706.db2.gz IEAMJRKVRIJRHJ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001088327231 779958929 /nfs/dbraw/zinc/95/89/29/779958929.db2.gz IKPYCKULHOTTSY-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(C)C)C1 ZINC001088329250 779966642 /nfs/dbraw/zinc/96/66/42/779966642.db2.gz REMLOFACCKSOCY-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(C)C)C1 ZINC001088329250 779966649 /nfs/dbraw/zinc/96/66/49/779966649.db2.gz REMLOFACCKSOCY-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001088427473 780111347 /nfs/dbraw/zinc/11/13/47/780111347.db2.gz WJYQEONLVCKOHW-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105576650 780772925 /nfs/dbraw/zinc/77/29/25/780772925.db2.gz KAAKYYRRQPLQAC-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418668 781257136 /nfs/dbraw/zinc/25/71/36/781257136.db2.gz JLKABCBAEDPTDJ-ZWKOTPCHSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001089647847 783319322 /nfs/dbraw/zinc/31/93/22/783319322.db2.gz BRZSJARPKUOLEP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647847 783319334 /nfs/dbraw/zinc/31/93/34/783319334.db2.gz BRZSJARPKUOLEP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647847 783319343 /nfs/dbraw/zinc/31/93/43/783319343.db2.gz BRZSJARPKUOLEP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647847 783319349 /nfs/dbraw/zinc/31/93/49/783319349.db2.gz BRZSJARPKUOLEP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948388427 783448525 /nfs/dbraw/zinc/44/85/25/783448525.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388427 783448529 /nfs/dbraw/zinc/44/85/29/783448529.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388427 783448532 /nfs/dbraw/zinc/44/85/32/783448532.db2.gz GAMNICUKLUWQTH-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439515 783465722 /nfs/dbraw/zinc/46/57/22/783465722.db2.gz QWBYEMYQXONFIU-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439515 783465727 /nfs/dbraw/zinc/46/57/27/783465727.db2.gz QWBYEMYQXONFIU-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583547 783512719 /nfs/dbraw/zinc/51/27/19/783512719.db2.gz UJYKAKQOSPYLOI-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948594584 783517808 /nfs/dbraw/zinc/51/78/08/783517808.db2.gz OYJDNVRAJUXQID-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085203580 783578920 /nfs/dbraw/zinc/57/89/20/783578920.db2.gz QTODJUYVTLAJFD-YLFCFFPRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639224 783916033 /nfs/dbraw/zinc/91/60/33/783916033.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639224 783916038 /nfs/dbraw/zinc/91/60/38/783916038.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639224 783916045 /nfs/dbraw/zinc/91/60/45/783916045.db2.gz KVEIOCANFYTRJC-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001085687427 783968955 /nfs/dbraw/zinc/96/89/55/783968955.db2.gz OSQJHSMGRBNRJY-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687427 783968965 /nfs/dbraw/zinc/96/89/65/783968965.db2.gz OSQJHSMGRBNRJY-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687427 783968969 /nfs/dbraw/zinc/96/89/69/783968969.db2.gz OSQJHSMGRBNRJY-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687427 783968981 /nfs/dbraw/zinc/96/89/81/783968981.db2.gz OSQJHSMGRBNRJY-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724468 784020488 /nfs/dbraw/zinc/02/04/88/784020488.db2.gz WSARGVAFDBHKLQ-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461040 784399376 /nfs/dbraw/zinc/39/93/76/784399376.db2.gz ZIQCFONVNWJTER-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516441 784439745 /nfs/dbraw/zinc/43/97/45/784439745.db2.gz AZAWMPSCSJMXFH-QAPCUYQASA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882155 784635257 /nfs/dbraw/zinc/63/52/57/784635257.db2.gz IPIJGWQFCHTNTO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882155 784635264 /nfs/dbraw/zinc/63/52/64/784635264.db2.gz IPIJGWQFCHTNTO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882155 784635272 /nfs/dbraw/zinc/63/52/72/784635272.db2.gz IPIJGWQFCHTNTO-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882041 784635976 /nfs/dbraw/zinc/63/59/76/784635976.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882041 784635984 /nfs/dbraw/zinc/63/59/84/784635984.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882041 784635987 /nfs/dbraw/zinc/63/59/87/784635987.db2.gz FWNWMNIRZFYUHC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882748 784636283 /nfs/dbraw/zinc/63/62/83/784636283.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882748 784636286 /nfs/dbraw/zinc/63/62/86/784636286.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882748 784636288 /nfs/dbraw/zinc/63/62/88/784636288.db2.gz TYSOAXHPPYNLHO-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086502810 784798047 /nfs/dbraw/zinc/79/80/47/784798047.db2.gz PCAMXUOMBQXQDL-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797426 785361888 /nfs/dbraw/zinc/36/18/88/785361888.db2.gz FTLHGQALVREOLU-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821206 785561597 /nfs/dbraw/zinc/56/15/97/785561597.db2.gz DUCWSLYQBHBGRC-ULQDDVLXSA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688564 785988709 /nfs/dbraw/zinc/98/87/09/785988709.db2.gz WAJXZUMHMMONHK-LTIDMASMSA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976105 786117084 /nfs/dbraw/zinc/11/70/84/786117084.db2.gz ROXDZDUELCVGCL-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976105 786117088 /nfs/dbraw/zinc/11/70/88/786117088.db2.gz ROXDZDUELCVGCL-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976105 786117093 /nfs/dbraw/zinc/11/70/93/786117093.db2.gz ROXDZDUELCVGCL-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002667 786126198 /nfs/dbraw/zinc/12/61/98/786126198.db2.gz PJJCQMWKCNKLAP-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001112865046 786262495 /nfs/dbraw/zinc/26/24/95/786262495.db2.gz QHBHMIZQZMYYPH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001137552891 787536636 /nfs/dbraw/zinc/53/66/36/787536636.db2.gz HPPFKCGDEHKBOM-SJORKVTESA-N 2 1 315.461 2.226 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210876 787967735 /nfs/dbraw/zinc/96/77/35/787967735.db2.gz KMZKNMSBLLPNHE-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097851651 788249494 /nfs/dbraw/zinc/24/94/94/788249494.db2.gz HYUNIYGOBHPSBR-ZXFNITATSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851651 788249496 /nfs/dbraw/zinc/24/94/96/788249496.db2.gz HYUNIYGOBHPSBR-ZXFNITATSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851651 788249499 /nfs/dbraw/zinc/24/94/99/788249499.db2.gz HYUNIYGOBHPSBR-ZXFNITATSA-N 2 1 323.456 2.106 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121960 788287545 /nfs/dbraw/zinc/28/75/45/788287545.db2.gz MUTDIHIDDNYOBF-DLBZAZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805270 789094612 /nfs/dbraw/zinc/09/46/12/789094612.db2.gz QYYBTMGSCKRFLK-UONOGXRCSA-N 2 1 322.453 2.189 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170789936 789188577 /nfs/dbraw/zinc/18/85/77/789188577.db2.gz RZJFVONNKZCBIE-KBAYOESNSA-N 2 1 301.434 2.002 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583751 789402671 /nfs/dbraw/zinc/40/26/71/789402671.db2.gz DVGFWUGPMSFPQM-LSDHHAIUSA-N 2 1 306.454 2.456 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650888 789841670 /nfs/dbraw/zinc/84/16/70/789841670.db2.gz DWJIUIMCUARLJF-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689831 789867279 /nfs/dbraw/zinc/86/72/79/789867279.db2.gz QIIFLEJOOLZYCE-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689831 789867294 /nfs/dbraw/zinc/86/72/94/789867294.db2.gz QIIFLEJOOLZYCE-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820672 789929411 /nfs/dbraw/zinc/92/94/11/789929411.db2.gz BQTGGVANJHNOMA-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820672 789929417 /nfs/dbraw/zinc/92/94/17/789929417.db2.gz BQTGGVANJHNOMA-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820672 789929424 /nfs/dbraw/zinc/92/94/24/789929424.db2.gz BQTGGVANJHNOMA-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957591 789987371 /nfs/dbraw/zinc/98/73/71/789987371.db2.gz KVFUHWHPLNNBJO-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260853 791179582 /nfs/dbraw/zinc/17/95/82/791179582.db2.gz NHBNUGGGEZRVCM-AWEZNQCLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147348926 791512657 /nfs/dbraw/zinc/51/26/57/791512657.db2.gz JZHXKASHOAAHAG-AWEZNQCLSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147590878 791577720 /nfs/dbraw/zinc/57/77/20/791577720.db2.gz SKLNAYCVMNRKLT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147590878 791577728 /nfs/dbraw/zinc/57/77/28/791577728.db2.gz SKLNAYCVMNRKLT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147590878 791577735 /nfs/dbraw/zinc/57/77/35/791577735.db2.gz SKLNAYCVMNRKLT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315549 791736706 /nfs/dbraw/zinc/73/67/06/791736706.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315549 791736708 /nfs/dbraw/zinc/73/67/08/791736708.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315549 791736711 /nfs/dbraw/zinc/73/67/11/791736711.db2.gz OKQWVDLDDMJRGR-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527850 792230953 /nfs/dbraw/zinc/23/09/53/792230953.db2.gz DNNPUBAHBAUBCV-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285223 793101898 /nfs/dbraw/zinc/10/18/98/793101898.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285223 793101902 /nfs/dbraw/zinc/10/19/02/793101902.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285223 793101908 /nfs/dbraw/zinc/10/19/08/793101908.db2.gz TXBPLEXVDZIICU-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575103 793240347 /nfs/dbraw/zinc/24/03/47/793240347.db2.gz TTZGMLSIWBSJMU-RDJZCZTQSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575102 793240382 /nfs/dbraw/zinc/24/03/82/793240382.db2.gz TTZGMLSIWBSJMU-NVXWUHKLSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594470 793258231 /nfs/dbraw/zinc/25/82/31/793258231.db2.gz DKMFUUWQGQISNR-INIZCTEOSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375608 793593636 /nfs/dbraw/zinc/59/36/36/793593636.db2.gz SUHSCNNRJDCGPE-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375608 793593641 /nfs/dbraw/zinc/59/36/41/793593641.db2.gz SUHSCNNRJDCGPE-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375608 793593645 /nfs/dbraw/zinc/59/36/45/793593645.db2.gz SUHSCNNRJDCGPE-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141921 793955242 /nfs/dbraw/zinc/95/52/42/793955242.db2.gz ZSFLWNZGJYSTJX-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103150080 793958420 /nfs/dbraw/zinc/95/84/20/793958420.db2.gz WPEWAFHMMTWRDQ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927649 794103242 /nfs/dbraw/zinc/10/32/42/794103242.db2.gz FWZHOUURPSHBBE-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751663 794212126 /nfs/dbraw/zinc/21/21/26/794212126.db2.gz LMWOAHCZBITEDY-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001115057395 794370376 /nfs/dbraw/zinc/37/03/76/794370376.db2.gz BGHVUUHEVVMPGH-PIIMJCKOSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788658 794481739 /nfs/dbraw/zinc/48/17/39/794481739.db2.gz JAYDCIQFWSDWGP-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111951054 794533536 /nfs/dbraw/zinc/53/35/36/794533536.db2.gz QJCRWMJCHNTIHJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951054 794533538 /nfs/dbraw/zinc/53/35/38/794533538.db2.gz QJCRWMJCHNTIHJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951054 794533541 /nfs/dbraw/zinc/53/35/41/794533541.db2.gz QJCRWMJCHNTIHJ-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177021295 794560028 /nfs/dbraw/zinc/56/00/28/794560028.db2.gz QFOVBPMJOZABIS-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562640 794822527 /nfs/dbraw/zinc/82/25/27/794822527.db2.gz DIOMJFIIJPDHTI-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCCCC1 ZINC001115577820 794827109 /nfs/dbraw/zinc/82/71/09/794827109.db2.gz KTFSYVSCQJLTGE-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCCCC1 ZINC001115577820 794827112 /nfs/dbraw/zinc/82/71/12/794827112.db2.gz KTFSYVSCQJLTGE-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730990 794899636 /nfs/dbraw/zinc/89/96/36/794899636.db2.gz XADNGCVSQBQEHY-CVEARBPZSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688443 794975437 /nfs/dbraw/zinc/97/54/37/794975437.db2.gz CWVZGHNWDLLLIQ-YESZJQIVSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908432 795027833 /nfs/dbraw/zinc/02/78/33/795027833.db2.gz RDYNRODQZLAHAI-UHFFFAOYSA-N 2 1 322.453 2.192 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141428 795410995 /nfs/dbraw/zinc/41/09/95/795410995.db2.gz YCZPKJSGZLMBPS-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121973812 795710854 /nfs/dbraw/zinc/71/08/54/795710854.db2.gz BDUTUKMZYMVPNA-SJORKVTESA-N 2 1 301.434 2.061 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185549644 796279741 /nfs/dbraw/zinc/27/97/41/796279741.db2.gz QTLCDHDAYPPEHT-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659735 796301043 /nfs/dbraw/zinc/30/10/43/796301043.db2.gz PSOFTDORFCVUNI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105813 796652227 /nfs/dbraw/zinc/65/22/27/796652227.db2.gz YKCREUHVZQIGOR-GJZGRUSLSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189246198 796790405 /nfs/dbraw/zinc/79/04/05/796790405.db2.gz MSXABLSEZRFKDU-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728703 797383348 /nfs/dbraw/zinc/38/33/48/797383348.db2.gz SQMGMFNQPHAFNP-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001153728703 797383329 /nfs/dbraw/zinc/38/33/29/797383329.db2.gz SQMGMFNQPHAFNP-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153728703 797383336 /nfs/dbraw/zinc/38/33/36/797383336.db2.gz SQMGMFNQPHAFNP-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153728703 797383343 /nfs/dbraw/zinc/38/33/43/797383343.db2.gz SQMGMFNQPHAFNP-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679895 797430174 /nfs/dbraw/zinc/43/01/74/797430174.db2.gz HSCRXVHDMBPJCD-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001154083282 797457881 /nfs/dbraw/zinc/45/78/81/797457881.db2.gz PBFUCRCSXPRGCN-HZPDHXFCSA-N 2 1 318.465 2.238 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856855 797464610 /nfs/dbraw/zinc/46/46/10/797464610.db2.gz FBSNFGPVUPVIAY-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856855 797464613 /nfs/dbraw/zinc/46/46/13/797464613.db2.gz FBSNFGPVUPVIAY-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193499691 797576224 /nfs/dbraw/zinc/57/62/24/797576224.db2.gz KXLIINVKSDICCG-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569839 797586372 /nfs/dbraw/zinc/58/63/72/797586372.db2.gz FKUAOAJSKYWLEZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569839 797586374 /nfs/dbraw/zinc/58/63/74/797586374.db2.gz FKUAOAJSKYWLEZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194265251 797702671 /nfs/dbraw/zinc/70/26/71/797702671.db2.gz COLPZFQJJBOCAK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194265251 797702673 /nfs/dbraw/zinc/70/26/73/797702673.db2.gz COLPZFQJJBOCAK-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266362 797702834 /nfs/dbraw/zinc/70/28/34/797702834.db2.gz QBTVRENUFYPQFR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)[nH+]1 ZINC001155382856 797745395 /nfs/dbraw/zinc/74/53/95/797745395.db2.gz JRJRPJDHCOQRTO-MRXNPFEDSA-N 2 1 314.433 2.417 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001155600848 797801872 /nfs/dbraw/zinc/80/18/72/797801872.db2.gz VXXMDSQUXVEEFO-SJCJKPOMSA-N 2 1 311.389 2.005 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865606 797977927 /nfs/dbraw/zinc/97/79/27/797977927.db2.gz MVIMOYAUEYDRHT-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865606 797977930 /nfs/dbraw/zinc/97/79/30/797977930.db2.gz MVIMOYAUEYDRHT-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865606 797977933 /nfs/dbraw/zinc/97/79/33/797977933.db2.gz MVIMOYAUEYDRHT-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106284 798285876 /nfs/dbraw/zinc/28/58/76/798285876.db2.gz QZRVGVVUZARPKR-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106284 798285881 /nfs/dbraw/zinc/28/58/81/798285881.db2.gz QZRVGVVUZARPKR-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200508347 798642545 /nfs/dbraw/zinc/64/25/45/798642545.db2.gz ZZAFCTAYJCNQEP-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119668 798649607 /nfs/dbraw/zinc/64/96/07/798649607.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119668 798649613 /nfs/dbraw/zinc/64/96/13/798649613.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119668 798649617 /nfs/dbraw/zinc/64/96/17/798649617.db2.gz FVRCJFBTNMYMRV-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160500416 798696005 /nfs/dbraw/zinc/69/60/05/798696005.db2.gz NSKICGSZMTYJFC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500416 798696009 /nfs/dbraw/zinc/69/60/09/798696009.db2.gz NSKICGSZMTYJFC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160500416 798696015 /nfs/dbraw/zinc/69/60/15/798696015.db2.gz NSKICGSZMTYJFC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001160560085 798705088 /nfs/dbraw/zinc/70/50/88/798705088.db2.gz VWILLOFFMOUWMC-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229649 798723099 /nfs/dbraw/zinc/72/30/99/798723099.db2.gz FHVGZRRHCHQXNH-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207431 798810890 /nfs/dbraw/zinc/81/08/90/798810890.db2.gz UDHNQSDUHYOFLH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207431 798810894 /nfs/dbraw/zinc/81/08/94/798810894.db2.gz UDHNQSDUHYOFLH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207431 798810899 /nfs/dbraw/zinc/81/08/99/798810899.db2.gz UDHNQSDUHYOFLH-SJLPKXTDSA-N 2 1 319.493 2.289 20 30 DEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390845 798845462 /nfs/dbraw/zinc/84/54/62/798845462.db2.gz LVOZSHCULBLCQP-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869594 798953702 /nfs/dbraw/zinc/95/37/02/798953702.db2.gz GLFTUBIPCHBXDI-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869594 798953708 /nfs/dbraw/zinc/95/37/08/798953708.db2.gz GLFTUBIPCHBXDI-UHFFFAOYSA-N 2 1 316.449 2.296 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001202495567 798980345 /nfs/dbraw/zinc/98/03/45/798980345.db2.gz GKBLLKQDDOHUFY-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001114465862 799130611 /nfs/dbraw/zinc/13/06/11/799130611.db2.gz KVWVIPXRIFTMFY-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465862 799130617 /nfs/dbraw/zinc/13/06/17/799130617.db2.gz KVWVIPXRIFTMFY-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465862 799130621 /nfs/dbraw/zinc/13/06/21/799130621.db2.gz KVWVIPXRIFTMFY-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1 ZINC001163147279 799261002 /nfs/dbraw/zinc/26/10/02/799261002.db2.gz MTVRAWVIDTUQTJ-NCXUSEDFSA-N 2 1 313.445 2.408 20 30 DEEDMP C[Si](C)(C)C#C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165368468 799715197 /nfs/dbraw/zinc/71/51/97/799715197.db2.gz URMCNBLWFIRHEA-UHFFFAOYSA-N 2 1 302.494 2.447 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735466 799766799 /nfs/dbraw/zinc/76/67/99/799766799.db2.gz AHHDGZDVMANXDR-IAGOWNOFSA-N 2 1 319.493 2.456 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493351 800060873 /nfs/dbraw/zinc/06/08/73/800060873.db2.gz UDDGJNQOXZYXKG-HZPDHXFCSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204793844 800258003 /nfs/dbraw/zinc/25/80/03/800258003.db2.gz PHDFAJYUDGWVMW-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287910 800336226 /nfs/dbraw/zinc/33/62/26/800336226.db2.gz DACYTRYCTJQDHK-KRWDZBQOSA-N 2 1 304.413 2.467 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(F)c1C#N ZINC001205287910 800336233 /nfs/dbraw/zinc/33/62/33/800336233.db2.gz DACYTRYCTJQDHK-KRWDZBQOSA-N 2 1 304.413 2.467 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483423 800362552 /nfs/dbraw/zinc/36/25/52/800362552.db2.gz CYPFJGMRHQJRKI-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164143 800856130 /nfs/dbraw/zinc/85/61/30/800856130.db2.gz LMRWYKSIKNYYQM-ZJPYXAASSA-N 2 1 319.493 2.098 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163157 800922528 /nfs/dbraw/zinc/92/25/28/800922528.db2.gz DIFIBKPYEKNNEN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473788 800990792 /nfs/dbraw/zinc/99/07/92/800990792.db2.gz DXSGGPCFABECFL-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208757131 801064124 /nfs/dbraw/zinc/06/41/24/801064124.db2.gz BZUIDXDSZBXXEQ-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250065 801159219 /nfs/dbraw/zinc/15/92/19/801159219.db2.gz ATAZYWNYNJAVHP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210206110 801351441 /nfs/dbraw/zinc/35/14/41/801351441.db2.gz IYZQRSJYPKIICO-SUMDDJOVSA-N 2 1 315.461 2.086 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001210206110 801351449 /nfs/dbraw/zinc/35/14/49/801351449.db2.gz IYZQRSJYPKIICO-SUMDDJOVSA-N 2 1 315.461 2.086 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584668 801426146 /nfs/dbraw/zinc/42/61/46/801426146.db2.gz JPNNCPPYMVUDTH-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628930 801442123 /nfs/dbraw/zinc/44/21/23/801442123.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628930 801442126 /nfs/dbraw/zinc/44/21/26/801442126.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628930 801442129 /nfs/dbraw/zinc/44/21/29/801442129.db2.gz LHLVPUTUNLVEKN-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211270251 801541131 /nfs/dbraw/zinc/54/11/31/801541131.db2.gz YXSQCDAOZYNFBT-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)c1C#N ZINC001233098504 802026928 /nfs/dbraw/zinc/02/69/28/802026928.db2.gz ISLXJQRESVBBFI-HIFRSBDPSA-N 2 1 316.424 2.147 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)c1C#N ZINC001233098504 802026938 /nfs/dbraw/zinc/02/69/38/802026938.db2.gz ISLXJQRESVBBFI-HIFRSBDPSA-N 2 1 316.424 2.147 20 30 DEEDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(F)c1C#N ZINC001233098504 802026946 /nfs/dbraw/zinc/02/69/46/802026946.db2.gz ISLXJQRESVBBFI-HIFRSBDPSA-N 2 1 316.424 2.147 20 30 DEEDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(F)c1C#N ZINC001233098504 802026955 /nfs/dbraw/zinc/02/69/55/802026955.db2.gz ISLXJQRESVBBFI-HIFRSBDPSA-N 2 1 316.424 2.147 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845057 802032550 /nfs/dbraw/zinc/03/25/50/802032550.db2.gz VRNOVNCWPMXFNW-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790681 802615542 /nfs/dbraw/zinc/61/55/42/802615542.db2.gz VHLMQGBETFDNRT-CGTJXYLNSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221790682 802616056 /nfs/dbraw/zinc/61/60/56/802616056.db2.gz VHLMQGBETFDNRT-KBAYOESNSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCN(CC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1)C(=O)OCC ZINC001222264918 802664355 /nfs/dbraw/zinc/66/43/55/802664355.db2.gz KYKBSGOLCNYSDP-QGZVFWFLSA-N 2 1 309.454 2.097 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1)C(=O)OCC ZINC001222264918 802664357 /nfs/dbraw/zinc/66/43/57/802664357.db2.gz KYKBSGOLCNYSDP-QGZVFWFLSA-N 2 1 309.454 2.097 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489236 802794971 /nfs/dbraw/zinc/79/49/71/802794971.db2.gz KRDIMRBDBNMKPN-KURKYZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001225277615 802950068 /nfs/dbraw/zinc/95/00/68/802950068.db2.gz CYCIBFYUIQWABS-IBGZPJMESA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227083287 803196829 /nfs/dbraw/zinc/19/68/29/803196829.db2.gz REMRGUPWVAPZRI-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001227381537 803235477 /nfs/dbraw/zinc/23/54/77/803235477.db2.gz VODPUXDFZJFPJA-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227868558 803290278 /nfs/dbraw/zinc/29/02/78/803290278.db2.gz VIDCYUNHAMXSSN-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001330668313 1149246385 /nfs/dbraw/zinc/24/63/85/1149246385.db2.gz UDJLVVOXPFUKPU-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(=C)C)CC1 ZINC001327995478 1148695333 /nfs/dbraw/zinc/69/53/33/1148695333.db2.gz NDJSBVGBXPNBIV-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC(=C)C)CC1 ZINC001327995478 1148695341 /nfs/dbraw/zinc/69/53/41/1148695341.db2.gz NDJSBVGBXPNBIV-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001330822546 1149306799 /nfs/dbraw/zinc/30/67/99/1149306799.db2.gz UCMCLWBBAMTUCB-QLFBSQMISA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001418345553 1167588203 /nfs/dbraw/zinc/58/82/03/1167588203.db2.gz BHPPLFHDQZQXNC-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCCCC[NH3+] ZINC001575081394 1069358340 /nfs/dbraw/zinc/35/83/40/1069358340.db2.gz FVBQNCJKZCFTNT-AWEZNQCLSA-N 2 1 302.422 2.336 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588967 1148813457 /nfs/dbraw/zinc/81/34/57/1148813457.db2.gz RJMLKFAZMRQZOJ-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328588967 1148813459 /nfs/dbraw/zinc/81/34/59/1148813459.db2.gz RJMLKFAZMRQZOJ-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328588967 1148813460 /nfs/dbraw/zinc/81/34/60/1148813460.db2.gz RJMLKFAZMRQZOJ-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001499957691 1058401759 /nfs/dbraw/zinc/40/17/59/1058401759.db2.gz HXRIWSAMZFGKOD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001499957691 1058401770 /nfs/dbraw/zinc/40/17/70/1058401770.db2.gz HXRIWSAMZFGKOD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC(C)C)CC1 ZINC001500048460 1058451804 /nfs/dbraw/zinc/45/18/04/1058451804.db2.gz MDUNNWSVDXGWPE-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001501857008 1059743031 /nfs/dbraw/zinc/74/30/31/1059743031.db2.gz XKRFUQABGCHZBG-UHFFFAOYSA-N 2 1 315.461 2.189 20 30 DEEDMP C=CC[N@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001501857008 1059743044 /nfs/dbraw/zinc/74/30/44/1059743044.db2.gz XKRFUQABGCHZBG-UHFFFAOYSA-N 2 1 315.461 2.189 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001501857008 1059743058 /nfs/dbraw/zinc/74/30/58/1059743058.db2.gz XKRFUQABGCHZBG-UHFFFAOYSA-N 2 1 315.461 2.189 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532102 1060168114 /nfs/dbraw/zinc/16/81/14/1060168114.db2.gz JZYRNIXBOVTZDD-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503677690 1060457921 /nfs/dbraw/zinc/45/79/21/1060457921.db2.gz JBMGRDUFJZJVQM-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479828291 1061850932 /nfs/dbraw/zinc/85/09/32/1061850932.db2.gz YFFDAZKDJUKSIU-HOTGVXAUSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745391 1062353739 /nfs/dbraw/zinc/35/37/39/1062353739.db2.gz VEIYCAQFGIJBFL-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745391 1062353760 /nfs/dbraw/zinc/35/37/60/1062353760.db2.gz VEIYCAQFGIJBFL-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745391 1062353784 /nfs/dbraw/zinc/35/37/84/1062353784.db2.gz VEIYCAQFGIJBFL-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001506885960 1062470914 /nfs/dbraw/zinc/47/09/14/1062470914.db2.gz XVQCAGATZLQHTD-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001506888240 1062474566 /nfs/dbraw/zinc/47/45/66/1062474566.db2.gz XGTSRXKSQXJZRI-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480255376 1062534141 /nfs/dbraw/zinc/53/41/41/1062534141.db2.gz VJXOTFHPKWUCLY-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480288480 1062589963 /nfs/dbraw/zinc/58/99/63/1062589963.db2.gz QEOGHBAIBGYXAP-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385275 1062769585 /nfs/dbraw/zinc/76/95/85/1062769585.db2.gz ZMCANHLFJYEELH-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480385273 1062771135 /nfs/dbraw/zinc/77/11/35/1062771135.db2.gz ZMCANHLFJYEELH-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493966175 1064047891 /nfs/dbraw/zinc/04/78/91/1064047891.db2.gz BHTJEQYBCKNBBJ-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493966175 1064047900 /nfs/dbraw/zinc/04/79/00/1064047900.db2.gz BHTJEQYBCKNBBJ-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493966175 1064047909 /nfs/dbraw/zinc/04/79/09/1064047909.db2.gz BHTJEQYBCKNBBJ-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494171123 1064154001 /nfs/dbraw/zinc/15/40/01/1064154001.db2.gz GTJMTTLTWMYTGY-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001567442892 1064201209 /nfs/dbraw/zinc/20/12/09/1064201209.db2.gz NRWBXYOVYNRZIN-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001567442892 1064201212 /nfs/dbraw/zinc/20/12/12/1064201212.db2.gz NRWBXYOVYNRZIN-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001567442892 1064201214 /nfs/dbraw/zinc/20/12/14/1064201214.db2.gz NRWBXYOVYNRZIN-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692555 1064349329 /nfs/dbraw/zinc/34/93/29/1064349329.db2.gz COAGOCAALTYQLB-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567701245 1064357597 /nfs/dbraw/zinc/35/75/97/1064357597.db2.gz FOIGUHIBRHGCIJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567701245 1064357613 /nfs/dbraw/zinc/35/76/13/1064357613.db2.gz FOIGUHIBRHGCIJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567701245 1064357630 /nfs/dbraw/zinc/35/76/30/1064357630.db2.gz FOIGUHIBRHGCIJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001567738831 1064394266 /nfs/dbraw/zinc/39/42/66/1064394266.db2.gz SVPCBWYJFMHRAE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738831 1064394280 /nfs/dbraw/zinc/39/42/80/1064394280.db2.gz SVPCBWYJFMHRAE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738831 1064394294 /nfs/dbraw/zinc/39/42/94/1064394294.db2.gz SVPCBWYJFMHRAE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)C1 ZINC001567740850 1064394807 /nfs/dbraw/zinc/39/48/07/1064394807.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740850 1064394814 /nfs/dbraw/zinc/39/48/14/1064394814.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001567740850 1064394818 /nfs/dbraw/zinc/39/48/18/1064394818.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001567740850 1064394826 /nfs/dbraw/zinc/39/48/26/1064394826.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001567740850 1064394834 /nfs/dbraw/zinc/39/48/34/1064394834.db2.gz FXYIMYKCVHZLPH-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752389 1064403487 /nfs/dbraw/zinc/40/34/87/1064403487.db2.gz QOKJXBJCJHALFS-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752389 1064403494 /nfs/dbraw/zinc/40/34/94/1064403494.db2.gz QOKJXBJCJHALFS-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752389 1064403500 /nfs/dbraw/zinc/40/35/00/1064403500.db2.gz QOKJXBJCJHALFS-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001567751788 1064403990 /nfs/dbraw/zinc/40/39/90/1064403990.db2.gz SNBVWJYNNOLXNY-UHFFFAOYSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867282 1064529321 /nfs/dbraw/zinc/52/93/21/1064529321.db2.gz DYSHEVFWCRYJTO-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867282 1064529333 /nfs/dbraw/zinc/52/93/33/1064529333.db2.gz DYSHEVFWCRYJTO-GDBMZVCRSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875369 1064536094 /nfs/dbraw/zinc/53/60/94/1064536094.db2.gz HIRZDRKYLMBKML-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001568019740 1064598635 /nfs/dbraw/zinc/59/86/35/1064598635.db2.gz HYVMEKZZNFSBDW-LZLYRXPVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001568125946 1064659524 /nfs/dbraw/zinc/65/95/24/1064659524.db2.gz JWDXUKCQVLZQQZ-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001495490704 1064943123 /nfs/dbraw/zinc/94/31/23/1064943123.db2.gz UHDXSVMMTOIDAQ-SFHVURJKSA-N 2 1 315.461 2.453 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001495505822 1064953494 /nfs/dbraw/zinc/95/34/94/1064953494.db2.gz RQBXBAYREOSCPF-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001496452076 1065480725 /nfs/dbraw/zinc/48/07/25/1065480725.db2.gz RMILUHKHNVVRPN-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001569400274 1065489185 /nfs/dbraw/zinc/48/91/85/1065489185.db2.gz KQKCEVWLHAZHSY-CVEARBPZSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001569400276 1065489209 /nfs/dbraw/zinc/48/92/09/1065489209.db2.gz KQKCEVWLHAZHSY-HOTGVXAUSA-N 2 1 307.482 2.452 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001569449860 1065514687 /nfs/dbraw/zinc/51/46/87/1065514687.db2.gz LAGCGGXFYNQCMM-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001569449860 1065514693 /nfs/dbraw/zinc/51/46/93/1065514693.db2.gz LAGCGGXFYNQCMM-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001569449860 1065514702 /nfs/dbraw/zinc/51/47/02/1065514702.db2.gz LAGCGGXFYNQCMM-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001569711530 1065683150 /nfs/dbraw/zinc/68/31/50/1065683150.db2.gz DWLBTAFQQUGJST-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001569711530 1065683156 /nfs/dbraw/zinc/68/31/56/1065683156.db2.gz DWLBTAFQQUGJST-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001569711530 1065683168 /nfs/dbraw/zinc/68/31/68/1065683168.db2.gz DWLBTAFQQUGJST-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875883 1065782867 /nfs/dbraw/zinc/78/28/67/1065782867.db2.gz SPPIVVYMMIDXMI-HSFUPAIVSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875883 1065782875 /nfs/dbraw/zinc/78/28/75/1065782875.db2.gz SPPIVVYMMIDXMI-HSFUPAIVSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001569875883 1065782883 /nfs/dbraw/zinc/78/28/83/1065782883.db2.gz SPPIVVYMMIDXMI-HSFUPAIVSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001496917552 1065804970 /nfs/dbraw/zinc/80/49/70/1065804970.db2.gz MLCBOEOVTOMEFC-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914427 1065818610 /nfs/dbraw/zinc/81/86/10/1065818610.db2.gz FKOQMYBGFCMVEL-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914427 1065818630 /nfs/dbraw/zinc/81/86/30/1065818630.db2.gz FKOQMYBGFCMVEL-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001570263183 1065995781 /nfs/dbraw/zinc/99/57/81/1065995781.db2.gz DYJJORFEFZJOIJ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001580057469 1067485301 /nfs/dbraw/zinc/48/53/01/1067485301.db2.gz WIXGWPBPNVQJPZ-INIZCTEOSA-N 2 1 317.408 2.288 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001570796622 1068119676 /nfs/dbraw/zinc/11/96/76/1068119676.db2.gz XNBVXNJTAIWIQE-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001570825551 1068130534 /nfs/dbraw/zinc/13/05/34/1068130534.db2.gz UVHLIFKPLYRWTC-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001571017122 1068173942 /nfs/dbraw/zinc/17/39/42/1068173942.db2.gz YFBCZWYXGPRILU-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001571017122 1068173945 /nfs/dbraw/zinc/17/39/45/1068173945.db2.gz YFBCZWYXGPRILU-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001571017122 1068173948 /nfs/dbraw/zinc/17/39/48/1068173948.db2.gz YFBCZWYXGPRILU-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571118715 1068183739 /nfs/dbraw/zinc/18/37/39/1068183739.db2.gz XKKXKKYXFVUCNU-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001571129404 1068184471 /nfs/dbraw/zinc/18/44/71/1068184471.db2.gz GSHWYBYITJLKIB-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001329232007 1148876447 /nfs/dbraw/zinc/87/64/47/1148876447.db2.gz ZAHXVEDKWKMGJT-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001571390576 1068271053 /nfs/dbraw/zinc/27/10/53/1068271053.db2.gz JIUCKHSHGGODHR-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001571558693 1068420414 /nfs/dbraw/zinc/42/04/14/1068420414.db2.gz OYOUMSFWTOFLNK-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001571648692 1068458302 /nfs/dbraw/zinc/45/83/02/1068458302.db2.gz BEJLUGXCDVNBNU-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001267509294 1078938915 /nfs/dbraw/zinc/93/89/15/1078938915.db2.gz QDENEKCGYPDYFQ-INIZCTEOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001267509294 1078938921 /nfs/dbraw/zinc/93/89/21/1078938921.db2.gz QDENEKCGYPDYFQ-INIZCTEOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267588061 1079095765 /nfs/dbraw/zinc/09/57/65/1079095765.db2.gz FIDBLOQEASZEPJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267588061 1079095768 /nfs/dbraw/zinc/09/57/68/1079095768.db2.gz FIDBLOQEASZEPJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001267588061 1079095771 /nfs/dbraw/zinc/09/57/71/1079095771.db2.gz FIDBLOQEASZEPJ-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845929 1079148843 /nfs/dbraw/zinc/14/88/43/1079148843.db2.gz SQUJVIZRNKRQRJ-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001481146757 1079254962 /nfs/dbraw/zinc/25/49/62/1079254962.db2.gz VNBNBCIGXLHIOH-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001481146757 1079254956 /nfs/dbraw/zinc/25/49/56/1079254956.db2.gz VNBNBCIGXLHIOH-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484160002 1079335323 /nfs/dbraw/zinc/33/53/23/1079335323.db2.gz AEAWJNXQCPHUEO-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484160002 1079335329 /nfs/dbraw/zinc/33/53/29/1079335329.db2.gz AEAWJNXQCPHUEO-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484160002 1079335334 /nfs/dbraw/zinc/33/53/34/1079335334.db2.gz AEAWJNXQCPHUEO-NUJGCVRESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCN1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001565832012 1075192431 /nfs/dbraw/zinc/19/24/31/1075192431.db2.gz SHIGNRQDSHQUHZ-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001566076315 1075225266 /nfs/dbraw/zinc/22/52/66/1075225266.db2.gz VTHARJOSYWAHIE-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001566748500 1075334357 /nfs/dbraw/zinc/33/43/57/1075334357.db2.gz FIYWTBNFKBIXON-MWDXBVQZSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001566748500 1075334359 /nfs/dbraw/zinc/33/43/59/1075334359.db2.gz FIYWTBNFKBIXON-MWDXBVQZSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001566748500 1075334361 /nfs/dbraw/zinc/33/43/61/1075334361.db2.gz FIYWTBNFKBIXON-MWDXBVQZSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566766885 1075339750 /nfs/dbraw/zinc/33/97/50/1075339750.db2.gz XBGDNIWWLMUZED-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566800910 1075347924 /nfs/dbraw/zinc/34/79/24/1075347924.db2.gz KOJBJOCGNLAWTR-JFIYKMOQSA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566875512 1075370914 /nfs/dbraw/zinc/37/09/14/1075370914.db2.gz WFLPHWKBBBKPAO-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267764743 1079468518 /nfs/dbraw/zinc/46/85/18/1079468518.db2.gz YMDKGQXAZNYKSH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267764743 1079468521 /nfs/dbraw/zinc/46/85/21/1079468521.db2.gz YMDKGQXAZNYKSH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267764743 1079468527 /nfs/dbraw/zinc/46/85/27/1079468527.db2.gz YMDKGQXAZNYKSH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267774685 1079484539 /nfs/dbraw/zinc/48/45/39/1079484539.db2.gz JOFINNZGJYOVKF-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267774685 1079484542 /nfs/dbraw/zinc/48/45/42/1079484542.db2.gz JOFINNZGJYOVKF-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339100 1079549978 /nfs/dbraw/zinc/54/99/78/1079549978.db2.gz STMRKCXKDWWDGG-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267915291 1079597907 /nfs/dbraw/zinc/59/79/07/1079597907.db2.gz BNOIKBIIHXPCTF-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001481338930 1079733745 /nfs/dbraw/zinc/73/37/45/1079733745.db2.gz FHFPQYYIOLEJJS-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001484721707 1079756984 /nfs/dbraw/zinc/75/69/84/1079756984.db2.gz LWXCLFPQYDQBOV-JKSUJKDBSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937545 1079868552 /nfs/dbraw/zinc/86/85/52/1079868552.db2.gz PFOMTHZYMJYORZ-DLBZAZTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451737 1079876083 /nfs/dbraw/zinc/87/60/83/1079876083.db2.gz RRFZLORFVYAAGN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001485104598 1079983488 /nfs/dbraw/zinc/98/34/88/1079983488.db2.gz ANLCUKHLZPYREV-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268082321 1080036039 /nfs/dbraw/zinc/03/60/39/1080036039.db2.gz VWSPWUUVMQKKHP-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001485524907 1080282340 /nfs/dbraw/zinc/28/23/40/1080282340.db2.gz CAZLQLBUPGPDNX-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001485666993 1080356239 /nfs/dbraw/zinc/35/62/39/1080356239.db2.gz WKHNCEKANRKXIN-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001485666993 1080356243 /nfs/dbraw/zinc/35/62/43/1080356243.db2.gz WKHNCEKANRKXIN-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001485666993 1080356250 /nfs/dbraw/zinc/35/62/50/1080356250.db2.gz WKHNCEKANRKXIN-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001485666993 1080356255 /nfs/dbraw/zinc/35/62/55/1080356255.db2.gz WKHNCEKANRKXIN-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001485723657 1080391491 /nfs/dbraw/zinc/39/14/91/1080391491.db2.gz GTVJFBKXQTUUAL-FUHWJXTLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001661598520 1080498642 /nfs/dbraw/zinc/49/86/42/1080498642.db2.gz YCHCOJBQUREPRH-MWDXBVQZSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481782891 1080501504 /nfs/dbraw/zinc/50/15/04/1080501504.db2.gz SZAAVAUUBUXIBD-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001482010891 1080686352 /nfs/dbraw/zinc/68/63/52/1080686352.db2.gz WQUNWQDUGRDOIX-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001664687095 1080942171 /nfs/dbraw/zinc/94/21/71/1080942171.db2.gz PEXUMLVKLQTJOD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001664687095 1080942178 /nfs/dbraw/zinc/94/21/78/1080942178.db2.gz PEXUMLVKLQTJOD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001664687095 1080942184 /nfs/dbraw/zinc/94/21/84/1080942184.db2.gz PEXUMLVKLQTJOD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755814 1080955404 /nfs/dbraw/zinc/95/54/04/1080955404.db2.gz YTNRNLWHXRIHII-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001664760814 1080957157 /nfs/dbraw/zinc/95/71/57/1080957157.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001664760814 1080957160 /nfs/dbraw/zinc/95/71/60/1080957160.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001664760814 1080957164 /nfs/dbraw/zinc/95/71/64/1080957164.db2.gz ZGLHDGHUMRYESH-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001665429027 1081028308 /nfs/dbraw/zinc/02/83/08/1081028308.db2.gz OHDBXVUCMPFAED-IRXDYDNUSA-N 2 1 307.482 2.338 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001665686310 1081062832 /nfs/dbraw/zinc/06/28/32/1081062832.db2.gz HPKPVITUXGDGTC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001666227707 1081135374 /nfs/dbraw/zinc/13/53/74/1081135374.db2.gz RVAWJBYTBFYIRV-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCC)CCCC1 ZINC001666767666 1081179945 /nfs/dbraw/zinc/17/99/45/1081179945.db2.gz NYVNYHYKFHUMLH-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCC)CCCC1 ZINC001666767666 1081179948 /nfs/dbraw/zinc/17/99/48/1081179948.db2.gz NYVNYHYKFHUMLH-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667151054 1081216791 /nfs/dbraw/zinc/21/67/91/1081216791.db2.gz JHOAYDZKKJUFGE-NVXWUHKLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001667421012 1081251000 /nfs/dbraw/zinc/25/10/00/1081251000.db2.gz JCOSDFOOWARYRJ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001667421012 1081251006 /nfs/dbraw/zinc/25/10/06/1081251006.db2.gz JCOSDFOOWARYRJ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001667421012 1081251011 /nfs/dbraw/zinc/25/10/11/1081251011.db2.gz JCOSDFOOWARYRJ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001667668917 1081271157 /nfs/dbraw/zinc/27/11/57/1081271157.db2.gz HKZJJBCRKXZMAH-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001269735698 1081349830 /nfs/dbraw/zinc/34/98/30/1081349830.db2.gz DBIIGPKWCMPZRD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001269735698 1081349835 /nfs/dbraw/zinc/34/98/35/1081349835.db2.gz DBIIGPKWCMPZRD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001269735698 1081349839 /nfs/dbraw/zinc/34/98/39/1081349839.db2.gz DBIIGPKWCMPZRD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001270211015 1081475455 /nfs/dbraw/zinc/47/54/55/1081475455.db2.gz JNNMWOAIDYXHRI-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001671541849 1081522081 /nfs/dbraw/zinc/52/20/81/1081522081.db2.gz NPBULPKSAYLKLD-INIZCTEOSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001671829623 1081541986 /nfs/dbraw/zinc/54/19/86/1081541986.db2.gz GDZXYSLSDKLMIX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001270616815 1081564618 /nfs/dbraw/zinc/56/46/18/1081564618.db2.gz YPGBKVDGBDUYRR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001673168721 1081743483 /nfs/dbraw/zinc/74/34/83/1081743483.db2.gz SUTXICCGAODIFH-MRXNPFEDSA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001673651411 1081788617 /nfs/dbraw/zinc/78/86/17/1081788617.db2.gz VEPOFFVJFAKTGV-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001673651411 1081788622 /nfs/dbraw/zinc/78/86/22/1081788622.db2.gz VEPOFFVJFAKTGV-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001673651411 1081788625 /nfs/dbraw/zinc/78/86/25/1081788625.db2.gz VEPOFFVJFAKTGV-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361750 1081999626 /nfs/dbraw/zinc/99/96/26/1081999626.db2.gz RIMAYNWZMWMTPF-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361750 1081999635 /nfs/dbraw/zinc/99/96/35/1081999635.db2.gz RIMAYNWZMWMTPF-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001271318868 1082011257 /nfs/dbraw/zinc/01/12/57/1082011257.db2.gz XXDFCNAQNOWQDW-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266472666 1082059223 /nfs/dbraw/zinc/05/92/23/1082059223.db2.gz OPOGWUHZDSATTJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266472666 1082059230 /nfs/dbraw/zinc/05/92/30/1082059230.db2.gz OPOGWUHZDSATTJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266472666 1082059236 /nfs/dbraw/zinc/05/92/36/1082059236.db2.gz OPOGWUHZDSATTJ-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001271790136 1082155232 /nfs/dbraw/zinc/15/52/32/1082155232.db2.gz GHWRCMCVJLYYCM-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266859953 1082403698 /nfs/dbraw/zinc/40/36/98/1082403698.db2.gz UCLWBFSFTKMCIP-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266859953 1082403701 /nfs/dbraw/zinc/40/37/01/1082403701.db2.gz UCLWBFSFTKMCIP-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001272094081 1082465047 /nfs/dbraw/zinc/46/50/47/1082465047.db2.gz ZBVZDLKHTUKOBE-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001272094081 1082465051 /nfs/dbraw/zinc/46/50/51/1082465051.db2.gz ZBVZDLKHTUKOBE-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001272094081 1082465054 /nfs/dbraw/zinc/46/50/54/1082465054.db2.gz ZBVZDLKHTUKOBE-KRWDZBQOSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001482864269 1082535086 /nfs/dbraw/zinc/53/50/86/1082535086.db2.gz HZAJIOZKYULMAC-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436781 1083393917 /nfs/dbraw/zinc/39/39/17/1083393917.db2.gz PJQSHQATEBHWSW-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001276602547 1083509537 /nfs/dbraw/zinc/50/95/37/1083509537.db2.gz AKFQKQRJGZNLFD-QZTJIDSGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001276718406 1083568261 /nfs/dbraw/zinc/56/82/61/1083568261.db2.gz SVOJETDKBUTTCN-XLAORIBOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001277618699 1084061327 /nfs/dbraw/zinc/06/13/27/1084061327.db2.gz XGWQZPZKEQFMHQ-UHFFFAOYSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001277618699 1084061335 /nfs/dbraw/zinc/06/13/35/1084061335.db2.gz XGWQZPZKEQFMHQ-UHFFFAOYSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001277647596 1084075723 /nfs/dbraw/zinc/07/57/23/1084075723.db2.gz TZBYAKISAUVVSG-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491173808 1084129326 /nfs/dbraw/zinc/12/93/26/1084129326.db2.gz UJMZHRUHNVDCPP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001277826318 1084164113 /nfs/dbraw/zinc/16/41/13/1084164113.db2.gz MFUFVNRKQZSURI-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284284 1084208381 /nfs/dbraw/zinc/20/83/81/1084208381.db2.gz RPDUUUDTNQPKIX-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001491296697 1084217459 /nfs/dbraw/zinc/21/74/59/1084217459.db2.gz OOGQGMHTYUWCHR-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296697 1084217464 /nfs/dbraw/zinc/21/74/64/1084217464.db2.gz OOGQGMHTYUWCHR-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296697 1084217472 /nfs/dbraw/zinc/21/74/72/1084217472.db2.gz OOGQGMHTYUWCHR-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235259906 1084364383 /nfs/dbraw/zinc/36/43/83/1084364383.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001235259906 1084364395 /nfs/dbraw/zinc/36/43/95/1084364395.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001235259906 1084364408 /nfs/dbraw/zinc/36/44/08/1084364408.db2.gz DLDAZCVHTZQLPE-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235340326 1084398701 /nfs/dbraw/zinc/39/87/01/1084398701.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235340326 1084398710 /nfs/dbraw/zinc/39/87/10/1084398710.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235340326 1084398719 /nfs/dbraw/zinc/39/87/19/1084398719.db2.gz ZKMVBFSBRXERRW-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871053 1084399095 /nfs/dbraw/zinc/39/90/95/1084399095.db2.gz VGVAJMARAFXPMG-GOSISDBHSA-N 2 1 307.482 2.075 20 30 DEEDMP CCn1ccnc1C[N@H+]1CCCC2(CCN(CCC#N)CC2)C1 ZINC001277938952 1084400418 /nfs/dbraw/zinc/40/04/18/1084400418.db2.gz JVJJVNCJRZCTBI-UHFFFAOYSA-N 2 1 315.465 2.495 20 30 DEEDMP CCn1ccnc1CN1CCCC2(CCN(CCC#N)CC2)C1 ZINC001277938952 1084400422 /nfs/dbraw/zinc/40/04/22/1084400422.db2.gz JVJJVNCJRZCTBI-UHFFFAOYSA-N 2 1 315.465 2.495 20 30 DEEDMP N#CCCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277951334 1084456542 /nfs/dbraw/zinc/45/65/42/1084456542.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 2 1 315.465 2.221 20 30 DEEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277951334 1084456547 /nfs/dbraw/zinc/45/65/47/1084456547.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 2 1 315.465 2.221 20 30 DEEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277951334 1084456553 /nfs/dbraw/zinc/45/65/53/1084456553.db2.gz IXGDAPSQWBTADR-HDICACEKSA-N 2 1 315.465 2.221 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284582 1085670569 /nfs/dbraw/zinc/67/05/69/1085670569.db2.gz NRDCHBITVPLXES-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961559342 1085787442 /nfs/dbraw/zinc/78/74/42/1085787442.db2.gz OXIWSSBVKWRFID-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961559342 1085787448 /nfs/dbraw/zinc/78/74/48/1085787448.db2.gz OXIWSSBVKWRFID-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961559342 1085787456 /nfs/dbraw/zinc/78/74/56/1085787456.db2.gz OXIWSSBVKWRFID-WNRNVDISSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001273143218 1086664902 /nfs/dbraw/zinc/66/49/02/1086664902.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143218 1086664904 /nfs/dbraw/zinc/66/49/04/1086664904.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273143218 1086664908 /nfs/dbraw/zinc/66/49/08/1086664908.db2.gz DEJXMMURIBEQHY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740950 1088362690 /nfs/dbraw/zinc/36/26/90/1088362690.db2.gz GAZHDYXGHZZNDV-FVQHAEBGSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562195 1088424573 /nfs/dbraw/zinc/42/45/73/1088424573.db2.gz BGLXSKGTJCUOHM-ZSGPHXLJSA-N 2 1 324.428 2.349 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080191885 1088670297 /nfs/dbraw/zinc/67/02/97/1088670297.db2.gz AEDKHTKTVSPJNC-KBAYOESNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754169 1089170391 /nfs/dbraw/zinc/17/03/91/1089170391.db2.gz BVAIWOZTIXDNPH-CRAIPNDOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962346 1090547162 /nfs/dbraw/zinc/54/71/62/1090547162.db2.gz IDQBYVBWVQIBCQ-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962346 1090547165 /nfs/dbraw/zinc/54/71/65/1090547165.db2.gz IDQBYVBWVQIBCQ-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962346 1090547168 /nfs/dbraw/zinc/54/71/68/1090547168.db2.gz IDQBYVBWVQIBCQ-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025290 1090599431 /nfs/dbraw/zinc/59/94/31/1090599431.db2.gz OYXQSGGZOLDTRQ-IXDOHACOSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075319 1090630313 /nfs/dbraw/zinc/63/03/13/1090630313.db2.gz ZXZGVNSHVJAYIQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075319 1090630314 /nfs/dbraw/zinc/63/03/14/1090630314.db2.gz ZXZGVNSHVJAYIQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075319 1090630319 /nfs/dbraw/zinc/63/03/19/1090630319.db2.gz ZXZGVNSHVJAYIQ-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001275150797 1091585887 /nfs/dbraw/zinc/58/58/87/1091585887.db2.gz NTLNZALYEIBQIA-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001275150797 1091585895 /nfs/dbraw/zinc/58/58/95/1091585895.db2.gz NTLNZALYEIBQIA-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001275150797 1091585905 /nfs/dbraw/zinc/58/59/05/1091585905.db2.gz NTLNZALYEIBQIA-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001275183236 1091604854 /nfs/dbraw/zinc/60/48/54/1091604854.db2.gz DIPCVWYHNYUCPM-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183236 1091604858 /nfs/dbraw/zinc/60/48/58/1091604858.db2.gz DIPCVWYHNYUCPM-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001275183236 1091604874 /nfs/dbraw/zinc/60/48/74/1091604874.db2.gz DIPCVWYHNYUCPM-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCCC1 ZINC001275184790 1091605465 /nfs/dbraw/zinc/60/54/65/1091605465.db2.gz HUMHLAURXOBVCN-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCCC1 ZINC001275184790 1091605467 /nfs/dbraw/zinc/60/54/67/1091605467.db2.gz HUMHLAURXOBVCN-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599709 1091901522 /nfs/dbraw/zinc/90/15/22/1091901522.db2.gz JUDMYFGESWFKAX-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628947 1091924534 /nfs/dbraw/zinc/92/45/34/1091924534.db2.gz IDKMKUGSEFYXIR-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628947 1091924538 /nfs/dbraw/zinc/92/45/38/1091924538.db2.gz IDKMKUGSEFYXIR-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688166 1092687183 /nfs/dbraw/zinc/68/71/83/1092687183.db2.gz GTOUSULMRMGVEG-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688166 1092687187 /nfs/dbraw/zinc/68/71/87/1092687187.db2.gz GTOUSULMRMGVEG-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001489035012 1092893537 /nfs/dbraw/zinc/89/35/37/1092893537.db2.gz FNHMOKUHZMCQAD-WCXIOVBPSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001490207984 1093225652 /nfs/dbraw/zinc/22/56/52/1093225652.db2.gz OZQXWLRBMHJAFY-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001490207984 1093225639 /nfs/dbraw/zinc/22/56/39/1093225639.db2.gz OZQXWLRBMHJAFY-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001490207984 1093225646 /nfs/dbraw/zinc/22/56/46/1093225646.db2.gz OZQXWLRBMHJAFY-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001490362272 1093355530 /nfs/dbraw/zinc/35/55/30/1093355530.db2.gz SYYWRRKVCJEGPP-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001318916552 1140465916 /nfs/dbraw/zinc/46/59/16/1140465916.db2.gz BJXKHMASBWOPFH-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(=C)C)CC1 ZINC001318956341 1140479370 /nfs/dbraw/zinc/47/93/70/1140479370.db2.gz LIQUNYIVEQFLCK-BZSNNMDCSA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(=C)C)CC1 ZINC001318956341 1140479379 /nfs/dbraw/zinc/47/93/79/1140479379.db2.gz LIQUNYIVEQFLCK-BZSNNMDCSA-N 2 1 317.477 2.067 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001319378885 1140559473 /nfs/dbraw/zinc/55/94/73/1140559473.db2.gz IHYHODDIXCYPGT-IRXDYDNUSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)CC2 ZINC001246730689 1141046259 /nfs/dbraw/zinc/04/62/59/1141046259.db2.gz AEHLSSKYPSUMFG-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001322173495 1141436622 /nfs/dbraw/zinc/43/66/22/1141436622.db2.gz AJLORXMLCQDUTN-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001322173495 1141436637 /nfs/dbraw/zinc/43/66/37/1141436637.db2.gz AJLORXMLCQDUTN-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001322173495 1141436643 /nfs/dbraw/zinc/43/66/43/1141436643.db2.gz AJLORXMLCQDUTN-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1=CCCCC1 ZINC001322173495 1141436651 /nfs/dbraw/zinc/43/66/51/1141436651.db2.gz AJLORXMLCQDUTN-WMZOPIPTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001323241094 1141831337 /nfs/dbraw/zinc/83/13/37/1141831337.db2.gz FGEISGYBDULYIT-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001323241094 1141831338 /nfs/dbraw/zinc/83/13/38/1141831338.db2.gz FGEISGYBDULYIT-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858128 1141893627 /nfs/dbraw/zinc/89/36/27/1141893627.db2.gz ANESEHDJCVCSLH-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858123 1141893914 /nfs/dbraw/zinc/89/39/14/1141893914.db2.gz ANESEHDJCVCSLH-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001278656629 1142665664 /nfs/dbraw/zinc/66/56/64/1142665664.db2.gz NTBOQMRRKWZGCF-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCOC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001252470205 1142722444 /nfs/dbraw/zinc/72/24/44/1142722444.db2.gz IWOKXSPABFIJPR-OALUTQOASA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001252470205 1142722450 /nfs/dbraw/zinc/72/24/50/1142722450.db2.gz IWOKXSPABFIJPR-OALUTQOASA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252470205 1142722460 /nfs/dbraw/zinc/72/24/60/1142722460.db2.gz IWOKXSPABFIJPR-OALUTQOASA-N 2 1 318.461 2.004 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001252499160 1142736531 /nfs/dbraw/zinc/73/65/31/1142736531.db2.gz WXOSXYBOJHPBTO-BHIYHBOVSA-N 2 1 318.461 2.050 20 30 DEEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664781 1143306931 /nfs/dbraw/zinc/30/69/31/1143306931.db2.gz XJGXNWFZWOYGCQ-HZPDHXFCSA-N 2 1 313.449 2.029 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001341716559 1143679074 /nfs/dbraw/zinc/67/90/74/1143679074.db2.gz HXSKQSXGVZABJC-ROUUACIJSA-N 2 1 315.461 2.403 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001278929864 1143842979 /nfs/dbraw/zinc/84/29/79/1143842979.db2.gz NGMYFUANXVNIEF-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001278929864 1143842980 /nfs/dbraw/zinc/84/29/80/1143842980.db2.gz NGMYFUANXVNIEF-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001278929864 1143842981 /nfs/dbraw/zinc/84/29/81/1143842981.db2.gz NGMYFUANXVNIEF-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001256624144 1143858052 /nfs/dbraw/zinc/85/80/52/1143858052.db2.gz RIZUTIXSEIFYGO-SJPCQFCGSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CC[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258146452 1143978370 /nfs/dbraw/zinc/97/83/70/1143978370.db2.gz YESHCRNLMIDILJ-UHFFFAOYSA-N 2 1 313.489 2.497 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001263997740 1144439670 /nfs/dbraw/zinc/43/96/70/1144439670.db2.gz CJIOFCBZDNAQLR-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001264196791 1144506012 /nfs/dbraw/zinc/50/60/12/1144506012.db2.gz LBLHMRGJMGKLEW-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001264549921 1144563496 /nfs/dbraw/zinc/56/34/96/1144563496.db2.gz WJZFXSVNIYCDIH-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001265199569 1144665188 /nfs/dbraw/zinc/66/51/88/1144665188.db2.gz ZULWYLKQSAAWDH-UHFFFAOYSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001265217519 1144669472 /nfs/dbraw/zinc/66/94/72/1144669472.db2.gz XUOMHIWIWDUHND-HZPDHXFCSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001265235791 1144673992 /nfs/dbraw/zinc/67/39/92/1144673992.db2.gz WDQQXTQQIWKBAW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001265235791 1144673996 /nfs/dbraw/zinc/67/39/96/1144673996.db2.gz WDQQXTQQIWKBAW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001265235791 1144673999 /nfs/dbraw/zinc/67/39/99/1144673999.db2.gz WDQQXTQQIWKBAW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265234918 1144674300 /nfs/dbraw/zinc/67/43/00/1144674300.db2.gz DWBRLLALOVCRSH-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265339132 1144696249 /nfs/dbraw/zinc/69/62/49/1144696249.db2.gz XYKHRNFXIRYDTL-SJLPKXTDSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265395261 1144701881 /nfs/dbraw/zinc/70/18/81/1144701881.db2.gz SBMKZPLIYRMWFK-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001265708367 1144732840 /nfs/dbraw/zinc/73/28/40/1144732840.db2.gz NCDGPWQQPZDKRJ-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982597 1144776429 /nfs/dbraw/zinc/77/64/29/1144776429.db2.gz IAHXRMHAILNFNI-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279347739 1144820969 /nfs/dbraw/zinc/82/09/69/1144820969.db2.gz RXGAJAYRZOVFLE-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001279347739 1144820970 /nfs/dbraw/zinc/82/09/70/1144820970.db2.gz RXGAJAYRZOVFLE-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316599436 1144829041 /nfs/dbraw/zinc/82/90/41/1144829041.db2.gz CQSIRVNRCYDPFF-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001281684657 1144907866 /nfs/dbraw/zinc/90/78/66/1144907866.db2.gz VDELDPLJAUJMPC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001283509583 1145486430 /nfs/dbraw/zinc/48/64/30/1145486430.db2.gz VLSICXISMROCHO-INMHGKMJSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001284058067 1145778680 /nfs/dbraw/zinc/77/86/80/1145778680.db2.gz PDJQKCGFMZIZMA-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284058067 1145778689 /nfs/dbraw/zinc/77/86/89/1145778689.db2.gz PDJQKCGFMZIZMA-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284058067 1145778694 /nfs/dbraw/zinc/77/86/94/1145778694.db2.gz PDJQKCGFMZIZMA-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492176951 1147118061 /nfs/dbraw/zinc/11/80/61/1147118061.db2.gz BHCGSVSAHXZEDJ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492176951 1147118071 /nfs/dbraw/zinc/11/80/71/1147118071.db2.gz BHCGSVSAHXZEDJ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492176951 1147118085 /nfs/dbraw/zinc/11/80/85/1147118085.db2.gz BHCGSVSAHXZEDJ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCOc1cccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC001308256216 1147460579 /nfs/dbraw/zinc/46/05/79/1147460579.db2.gz MIOMYORGNCQJBE-SJLPKXTDSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC001308256216 1147460585 /nfs/dbraw/zinc/46/05/85/1147460585.db2.gz MIOMYORGNCQJBE-SJLPKXTDSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741974 1147551874 /nfs/dbraw/zinc/55/18/74/1147551874.db2.gz CVEXVDSFLFQBFH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001316812478 1147583227 /nfs/dbraw/zinc/58/32/27/1147583227.db2.gz WVRGRFPFWBGEBC-IRXDYDNUSA-N 2 1 321.509 2.203 20 30 DEEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001316904584 1147627871 /nfs/dbraw/zinc/62/78/71/1147627871.db2.gz SISKPCBVYLZXDQ-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001316904584 1147627873 /nfs/dbraw/zinc/62/78/73/1147627873.db2.gz SISKPCBVYLZXDQ-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001316988167 1147644851 /nfs/dbraw/zinc/64/48/51/1147644851.db2.gz RIAIEMCYXUGEEI-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001316988167 1147644852 /nfs/dbraw/zinc/64/48/52/1147644852.db2.gz RIAIEMCYXUGEEI-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317045803 1147652780 /nfs/dbraw/zinc/65/27/80/1147652780.db2.gz WXLLVHRKNKTUOD-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317139871 1147665633 /nfs/dbraw/zinc/66/56/33/1147665633.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317139871 1147665635 /nfs/dbraw/zinc/66/56/35/1147665635.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317139871 1147665636 /nfs/dbraw/zinc/66/56/36/1147665636.db2.gz LQPKWOVYJDZOSW-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317153684 1147667355 /nfs/dbraw/zinc/66/73/55/1147667355.db2.gz WWZJORJMHDQASO-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317173666 1147670940 /nfs/dbraw/zinc/67/09/40/1147670940.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173666 1147670942 /nfs/dbraw/zinc/67/09/42/1147670942.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173666 1147670944 /nfs/dbraw/zinc/67/09/44/1147670944.db2.gz PWGNMICSBSGMJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317376515 1147699048 /nfs/dbraw/zinc/69/90/48/1147699048.db2.gz PQFGQMGEKQDLBH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376515 1147699049 /nfs/dbraw/zinc/69/90/49/1147699049.db2.gz PQFGQMGEKQDLBH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376515 1147699050 /nfs/dbraw/zinc/69/90/50/1147699050.db2.gz PQFGQMGEKQDLBH-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317502940 1147716574 /nfs/dbraw/zinc/71/65/74/1147716574.db2.gz VJXHBAIVCLRUFD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502940 1147716575 /nfs/dbraw/zinc/71/65/75/1147716575.db2.gz VJXHBAIVCLRUFD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502940 1147716576 /nfs/dbraw/zinc/71/65/76/1147716576.db2.gz VJXHBAIVCLRUFD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317759929 1147749690 /nfs/dbraw/zinc/74/96/90/1147749690.db2.gz VWTYZCZWNVZXSQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317759929 1147749692 /nfs/dbraw/zinc/74/96/92/1147749692.db2.gz VWTYZCZWNVZXSQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317759929 1147749694 /nfs/dbraw/zinc/74/96/94/1147749694.db2.gz VWTYZCZWNVZXSQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317759929 1147749697 /nfs/dbraw/zinc/74/96/97/1147749697.db2.gz VWTYZCZWNVZXSQ-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317852828 1147757935 /nfs/dbraw/zinc/75/79/35/1147757935.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317852828 1147757936 /nfs/dbraw/zinc/75/79/36/1147757936.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317852828 1147757938 /nfs/dbraw/zinc/75/79/38/1147757938.db2.gz INRAPQLFXRALPG-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001317869869 1147759173 /nfs/dbraw/zinc/75/91/73/1147759173.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317869869 1147759174 /nfs/dbraw/zinc/75/91/74/1147759174.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317869869 1147759176 /nfs/dbraw/zinc/75/91/76/1147759176.db2.gz ZKHCYQUIRGHKIS-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317970879 1147764158 /nfs/dbraw/zinc/76/41/58/1147764158.db2.gz ORHCAUFSPMYKAD-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317970879 1147764160 /nfs/dbraw/zinc/76/41/60/1147764160.db2.gz ORHCAUFSPMYKAD-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318292419 1147808126 /nfs/dbraw/zinc/80/81/26/1147808126.db2.gz LIHFKXSLCSAMLQ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318292419 1147808129 /nfs/dbraw/zinc/80/81/29/1147808129.db2.gz LIHFKXSLCSAMLQ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318292419 1147808132 /nfs/dbraw/zinc/80/81/32/1147808132.db2.gz LIHFKXSLCSAMLQ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324656254 1147826597 /nfs/dbraw/zinc/82/65/97/1147826597.db2.gz LXOIQEDGAJYOKJ-RDJZCZTQSA-N 2 1 304.438 2.381 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001324681861 1147830773 /nfs/dbraw/zinc/83/07/73/1147830773.db2.gz XHQVMABHAXAWAK-GOSISDBHSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325945285 1148023053 /nfs/dbraw/zinc/02/30/53/1148023053.db2.gz AQGANXACDGIDKI-XMTFNYHQSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001325945285 1148023059 /nfs/dbraw/zinc/02/30/59/1148023059.db2.gz AQGANXACDGIDKI-XMTFNYHQSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001325945285 1148023065 /nfs/dbraw/zinc/02/30/65/1148023065.db2.gz AQGANXACDGIDKI-XMTFNYHQSA-N 2 1 319.493 2.358 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NCC[NH+]3CCCC3)CC2)cc1 ZINC000181410947 199292429 /nfs/dbraw/zinc/29/24/29/199292429.db2.gz MCOWFOVZACQOOT-UHFFFAOYSA-N 2 1 312.461 2.208 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000593323974 358054401 /nfs/dbraw/zinc/05/44/01/358054401.db2.gz UYYVNCNREGNJNU-YOFSQIOKSA-N 2 1 324.472 2.395 20 30 DEEDMP C[C@H](CCC#N)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624978 360463243 /nfs/dbraw/zinc/46/32/43/360463243.db2.gz QKEVRLPKTNDLEC-IEBWSBKVSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000602624978 360463247 /nfs/dbraw/zinc/46/32/47/360463247.db2.gz QKEVRLPKTNDLEC-IEBWSBKVSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602624978 360463249 /nfs/dbraw/zinc/46/32/49/360463249.db2.gz QKEVRLPKTNDLEC-IEBWSBKVSA-N 2 1 315.461 2.495 20 30 DEEDMP C[C@H](CCC#N)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602624978 360463253 /nfs/dbraw/zinc/46/32/53/360463253.db2.gz QKEVRLPKTNDLEC-IEBWSBKVSA-N 2 1 315.461 2.495 20 30 DEEDMP C[NH+](C)CC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000563154592 292034904 /nfs/dbraw/zinc/03/49/04/292034904.db2.gz RDLXLDSAGDFINW-HNNXBMFYSA-N 2 1 314.437 2.057 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC2CCCCC2)cn1 ZINC000104165742 402199807 /nfs/dbraw/zinc/19/98/07/402199807.db2.gz RGHKJQOQDGUTGY-UHFFFAOYSA-N 2 1 312.421 2.313 20 30 DEEDMP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1C#N ZINC000190698001 402618811 /nfs/dbraw/zinc/61/88/11/402618811.db2.gz UTCNHOIRNOGCRV-UHFFFAOYSA-N 2 1 324.428 2.019 20 30 DEEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NCC(C)C)[C@@H]1c1ccccc1 ZINC000285148450 403278902 /nfs/dbraw/zinc/27/89/02/403278902.db2.gz RSSGJUZEAIRANO-IRXDYDNUSA-N 2 1 318.465 2.009 20 30 DEEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NCC(C)C)[C@@H]1c1ccccc1 ZINC000285148450 403278904 /nfs/dbraw/zinc/27/89/04/403278904.db2.gz RSSGJUZEAIRANO-IRXDYDNUSA-N 2 1 318.465 2.009 20 30 DEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030866 403466152 /nfs/dbraw/zinc/46/61/52/403466152.db2.gz SRGABNGWZNVJCX-QGZVFWFLSA-N 2 1 314.433 2.303 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090399 403757183 /nfs/dbraw/zinc/75/71/83/403757183.db2.gz UVULZCKJHIVWNU-QGZVFWFLSA-N 3 1 317.477 2.233 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090399 403757185 /nfs/dbraw/zinc/75/71/85/403757185.db2.gz UVULZCKJHIVWNU-QGZVFWFLSA-N 3 1 317.477 2.233 20 30 DEEDMP C=CCOc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289393964 403942265 /nfs/dbraw/zinc/94/22/65/403942265.db2.gz FMFMWQAJPSJDKQ-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP C=CC[C@H](CO)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344326144 404059401 /nfs/dbraw/zinc/05/94/01/404059401.db2.gz NKPRJWKRVLZKDR-ZDUSSCGKSA-N 2 1 309.479 2.184 20 30 DEEDMP C=CC[C@H](CO)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344326144 404059409 /nfs/dbraw/zinc/05/94/09/404059409.db2.gz NKPRJWKRVLZKDR-ZDUSSCGKSA-N 2 1 309.479 2.184 20 30 DEEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C2CC2)CC1 ZINC000328773015 404147754 /nfs/dbraw/zinc/14/77/54/404147754.db2.gz RQSWSJDDIRPSED-ZDUSSCGKSA-N 2 1 302.422 2.276 20 30 DEEDMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1=CC[N@@H+](C)CC1 ZINC000329529770 404366837 /nfs/dbraw/zinc/36/68/37/404366837.db2.gz VHXUSEOUGPGSMI-CYBMUJFWSA-N 2 1 322.497 2.450 20 30 DEEDMP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414791820 404736939 /nfs/dbraw/zinc/73/69/39/404736939.db2.gz RGOXEXGGDJDWHA-QGZVFWFLSA-N 2 1 316.445 2.439 20 30 DEEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414796930 404737574 /nfs/dbraw/zinc/73/75/74/404737574.db2.gz YDCJEPUHTFUOPJ-QGZVFWFLSA-N 2 1 316.445 2.439 20 30 DEEDMP C[C@H](CCNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155985 405025459 /nfs/dbraw/zinc/02/54/59/405025459.db2.gz OMLRALODKHCEAC-NVXWUHKLSA-N 2 1 316.449 2.034 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(C)C ZINC000426417745 405358916 /nfs/dbraw/zinc/35/89/16/405358916.db2.gz CCCJILJLKIALAG-ROUUACIJSA-N 2 1 319.493 2.428 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000575377138 406808205 /nfs/dbraw/zinc/80/82/05/406808205.db2.gz FCPBYHLOOOPWAM-INIZCTEOSA-N 2 1 324.490 2.256 20 30 DEEDMP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661379145 425394909 /nfs/dbraw/zinc/39/49/09/425394909.db2.gz USNBBHSSGYBYTE-OAHLLOKOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359858 425831535 /nfs/dbraw/zinc/83/15/35/425831535.db2.gz IWOSPUBINXVMLA-UHFFFAOYSA-N 2 1 301.434 2.280 20 30 DEEDMP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474405 277381155 /nfs/dbraw/zinc/38/11/55/277381155.db2.gz FZDKQEXKSKKICT-LJQANCHMSA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474405 277381156 /nfs/dbraw/zinc/38/11/56/277381156.db2.gz FZDKQEXKSKKICT-LJQANCHMSA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351474405 277381157 /nfs/dbraw/zinc/38/11/57/277381157.db2.gz FZDKQEXKSKKICT-LJQANCHMSA-N 2 1 315.461 2.471 20 30 DEEDMP CC(C)C[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474405 277381160 /nfs/dbraw/zinc/38/11/60/277381160.db2.gz FZDKQEXKSKKICT-LJQANCHMSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001479991240 1151274855 /nfs/dbraw/zinc/27/48/55/1151274855.db2.gz CYSBZMXFHHZUMZ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119610725 332255909 /nfs/dbraw/zinc/25/59/09/332255909.db2.gz ROQRTRGYAOCNEF-IRXDYDNUSA-N 2 1 306.498 2.417 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001378444494 1152331415 /nfs/dbraw/zinc/33/14/15/1152331415.db2.gz NADRFJMXKVTGLE-GJZGRUSLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001378468588 1152340324 /nfs/dbraw/zinc/34/03/24/1152340324.db2.gz VHEPXJIPZAHXOM-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001378468588 1152340331 /nfs/dbraw/zinc/34/03/31/1152340331.db2.gz VHEPXJIPZAHXOM-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330243203 1149077304 /nfs/dbraw/zinc/07/73/04/1149077304.db2.gz FSXDKNGYKRCWIK-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001437383297 1179774656 /nfs/dbraw/zinc/77/46/56/1179774656.db2.gz YHKXTNXSEVXZKT-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccon1 ZINC000261795151 526349072 /nfs/dbraw/zinc/34/90/72/526349072.db2.gz QWEZRAZGWFXGTM-CQSZACIVSA-N 2 1 321.469 2.192 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261996002 526393771 /nfs/dbraw/zinc/39/37/71/526393771.db2.gz SLAHEKBOPRNRLR-ZIAGYGMSSA-N 2 1 308.495 2.450 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)c1cccc(OC)c1 ZINC000262472228 528235234 /nfs/dbraw/zinc/23/52/34/528235234.db2.gz BJAMXEULOFVQFC-BBRMVZONSA-N 2 1 304.438 2.015 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@H](CC)C1 ZINC000262050321 528809900 /nfs/dbraw/zinc/80/99/00/528809900.db2.gz ZOVJUMSBXFZSMR-GOEBONIOSA-N 2 1 324.538 2.264 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357569 529073011 /nfs/dbraw/zinc/07/30/11/529073011.db2.gz JPIINMWTCYUMGQ-HZPDHXFCSA-N 2 1 322.497 2.257 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267475284 529073315 /nfs/dbraw/zinc/07/33/15/529073315.db2.gz ZECDRWOPJDLHPS-BRWVUGGUSA-N 2 1 300.450 2.006 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000264095021 529176284 /nfs/dbraw/zinc/17/62/84/529176284.db2.gz LVEQVJUXOFPKRH-GASCZTMLSA-N 2 1 318.465 2.475 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001330539024 1149184395 /nfs/dbraw/zinc/18/43/95/1149184395.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001330539024 1149184430 /nfs/dbraw/zinc/18/44/30/1149184430.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001330539024 1149184462 /nfs/dbraw/zinc/18/44/62/1149184462.db2.gz ULLATGMEGBPQEZ-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543919 1153467631 /nfs/dbraw/zinc/46/76/31/1153467631.db2.gz XOBFYVOEUYCPIH-KGLIPLIRSA-N 2 1 315.889 2.201 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156189 622594494 /nfs/dbraw/zinc/59/44/94/622594494.db2.gz LVLDEYGKHCJVHB-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156189 622594495 /nfs/dbraw/zinc/59/44/95/622594495.db2.gz LVLDEYGKHCJVHB-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000892851153 625663912 /nfs/dbraw/zinc/66/39/12/625663912.db2.gz DGEXIMMFCOVFTA-UHFFFAOYSA-N 2 1 322.497 2.058 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739094 624022236 /nfs/dbraw/zinc/02/22/36/624022236.db2.gz GKNQYXFVLAJKDJ-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972486568 625121008 /nfs/dbraw/zinc/12/10/08/625121008.db2.gz UYJCBTAFDYYEKF-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972486568 625121011 /nfs/dbraw/zinc/12/10/11/625121011.db2.gz UYJCBTAFDYYEKF-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001027693686 634448171 /nfs/dbraw/zinc/44/81/71/634448171.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027693686 634448173 /nfs/dbraw/zinc/44/81/73/634448173.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001027693686 634448175 /nfs/dbraw/zinc/44/81/75/634448175.db2.gz GKEUVCPEZVKOBZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448096 625772151 /nfs/dbraw/zinc/77/21/51/625772151.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448096 625772160 /nfs/dbraw/zinc/77/21/60/625772160.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448096 625772165 /nfs/dbraw/zinc/77/21/65/625772165.db2.gz BYGBFUGAEJKAEG-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999289315 634550766 /nfs/dbraw/zinc/55/07/66/634550766.db2.gz FKRIOMXGSJRCSS-KLAILNCOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999574266 634634574 /nfs/dbraw/zinc/63/45/74/634634574.db2.gz MRXSLIWGUMFJEI-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677500 633229315 /nfs/dbraw/zinc/22/93/15/633229315.db2.gz DXJQONYGXDYMDY-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677500 633229318 /nfs/dbraw/zinc/22/93/18/633229318.db2.gz DXJQONYGXDYMDY-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677500 633229322 /nfs/dbraw/zinc/22/93/22/633229322.db2.gz DXJQONYGXDYMDY-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729348 633270086 /nfs/dbraw/zinc/27/00/86/633270086.db2.gz LOIWTQOMKUJMAK-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974900162 633358514 /nfs/dbraw/zinc/35/85/14/633358514.db2.gz NREMNZKZHYAKFN-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966755 633379707 /nfs/dbraw/zinc/37/97/07/633379707.db2.gz CQMXTZZMAGYTKB-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966755 633379714 /nfs/dbraw/zinc/37/97/14/633379714.db2.gz CQMXTZZMAGYTKB-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974966755 633379716 /nfs/dbraw/zinc/37/97/16/633379716.db2.gz CQMXTZZMAGYTKB-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050468 633497367 /nfs/dbraw/zinc/49/73/67/633497367.db2.gz LPSBVNFLRRAQAH-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997420374 633760501 /nfs/dbraw/zinc/76/05/01/633760501.db2.gz HYLGEGWOAKWMNU-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214367 633880552 /nfs/dbraw/zinc/88/05/52/633880552.db2.gz CPFGLKBJILWCGD-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613759 633900670 /nfs/dbraw/zinc/90/06/70/633900670.db2.gz MQDVKBLJFXHZKJ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614017 633901015 /nfs/dbraw/zinc/90/10/15/633901015.db2.gz OHIPRHBISOGUIX-WMZOPIPTSA-N 2 1 321.509 2.367 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998098963 634140082 /nfs/dbraw/zinc/14/00/82/634140082.db2.gz RHPCJSXBFNWHEP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102320 634142122 /nfs/dbraw/zinc/14/21/22/634142122.db2.gz LYXBMSVXZYGLRK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602063 634255658 /nfs/dbraw/zinc/25/56/58/634255658.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602063 634255660 /nfs/dbraw/zinc/25/56/60/634255660.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602063 634255664 /nfs/dbraw/zinc/25/56/64/634255664.db2.gz KQGKXKMRRMCICJ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001027877712 634846346 /nfs/dbraw/zinc/84/63/46/634846346.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027877712 634846348 /nfs/dbraw/zinc/84/63/48/634846348.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001027877712 634846349 /nfs/dbraw/zinc/84/63/49/634846349.db2.gz ABTFLZQJRKIDRI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980186463 634884258 /nfs/dbraw/zinc/88/42/58/634884258.db2.gz DGWRRGQPQIVYEG-KSZLIROESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000374650 635163004 /nfs/dbraw/zinc/16/30/04/635163004.db2.gz WEKWFGJAIYVKNE-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479433 635516513 /nfs/dbraw/zinc/51/65/13/635516513.db2.gz OAZPFTVYTIPAEV-INIZCTEOSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801049 635655964 /nfs/dbraw/zinc/65/59/64/635655964.db2.gz NWWXHLVYIKBHJZ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801049 635655966 /nfs/dbraw/zinc/65/59/66/635655966.db2.gz NWWXHLVYIKBHJZ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801049 635655969 /nfs/dbraw/zinc/65/59/69/635655969.db2.gz NWWXHLVYIKBHJZ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000981806924 635664196 /nfs/dbraw/zinc/66/41/96/635664196.db2.gz QAYODCGRDINQHI-UHFFFAOYSA-N 2 1 316.449 2.233 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000981806924 635664199 /nfs/dbraw/zinc/66/41/99/635664199.db2.gz QAYODCGRDINQHI-UHFFFAOYSA-N 2 1 316.449 2.233 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001002862664 635824877 /nfs/dbraw/zinc/82/48/77/635824877.db2.gz OSQNUKYXMYMDID-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001002862664 635824882 /nfs/dbraw/zinc/82/48/82/635824882.db2.gz OSQNUKYXMYMDID-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC000982063440 635850785 /nfs/dbraw/zinc/85/07/85/635850785.db2.gz PVTULASCBLCLLF-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982063440 635850790 /nfs/dbraw/zinc/85/07/90/635850790.db2.gz PVTULASCBLCLLF-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152028 635891038 /nfs/dbraw/zinc/89/10/38/635891038.db2.gz PZOTVUGZFZOTIR-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160755 635893539 /nfs/dbraw/zinc/89/35/39/635893539.db2.gz CZGYWINTUFPUSO-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004203594 636222200 /nfs/dbraw/zinc/22/22/00/636222200.db2.gz LILPIGFPUZLEBW-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537247 636328858 /nfs/dbraw/zinc/32/88/58/636328858.db2.gz KOXMBPNIQGPCOC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537247 636328861 /nfs/dbraw/zinc/32/88/61/636328861.db2.gz KOXMBPNIQGPCOC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001028537247 636328864 /nfs/dbraw/zinc/32/88/64/636328864.db2.gz KOXMBPNIQGPCOC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004476673 636465256 /nfs/dbraw/zinc/46/52/56/636465256.db2.gz ZBXCDCQDDIDOOQ-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004476673 636465258 /nfs/dbraw/zinc/46/52/58/636465258.db2.gz ZBXCDCQDDIDOOQ-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946620959 636472085 /nfs/dbraw/zinc/47/20/85/636472085.db2.gz DDGVVWCMUHPKPP-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779931 636647487 /nfs/dbraw/zinc/64/74/87/636647487.db2.gz VTRXSRVXCRGIMM-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005390838 636730373 /nfs/dbraw/zinc/73/03/73/636730373.db2.gz MQCOKXBRKIETFZ-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001005519481 636758073 /nfs/dbraw/zinc/75/80/73/636758073.db2.gz VWEICKWNMLOHJH-AEFFLSMTSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001005519481 636758077 /nfs/dbraw/zinc/75/80/77/636758077.db2.gz VWEICKWNMLOHJH-AEFFLSMTSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985465833 639446804 /nfs/dbraw/zinc/44/68/04/639446804.db2.gz YHPWTGFFKGFZRI-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985465833 639446806 /nfs/dbraw/zinc/44/68/06/639446806.db2.gz YHPWTGFFKGFZRI-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985465833 639446810 /nfs/dbraw/zinc/44/68/10/639446810.db2.gz YHPWTGFFKGFZRI-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000327956080 640883462 /nfs/dbraw/zinc/88/34/62/640883462.db2.gz BHOYVWTUYMDDRX-HNNXBMFYSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000327956080 640883464 /nfs/dbraw/zinc/88/34/64/640883464.db2.gz BHOYVWTUYMDDRX-HNNXBMFYSA-N 2 1 314.351 2.284 20 30 DEEDMP CN(c1ccccc1C=[NH+][N-]c1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000779810716 642543379 /nfs/dbraw/zinc/54/33/79/642543379.db2.gz ILVGIOFGKBPNQN-UHFFFAOYSA-N 2 1 323.444 2.480 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902745850 643130097 /nfs/dbraw/zinc/13/00/97/643130097.db2.gz XJLCBINTFVZXHN-MRXNPFEDSA-N 2 1 315.465 2.022 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000950469548 646538216 /nfs/dbraw/zinc/53/82/16/646538216.db2.gz ISUQUQYPKWGDGF-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000950469548 646538217 /nfs/dbraw/zinc/53/82/17/646538217.db2.gz ISUQUQYPKWGDGF-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992117488 646858109 /nfs/dbraw/zinc/85/81/09/646858109.db2.gz KMLLNZWRMCSQKR-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992117488 646858114 /nfs/dbraw/zinc/85/81/14/646858114.db2.gz KMLLNZWRMCSQKR-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992117488 646858121 /nfs/dbraw/zinc/85/81/21/646858121.db2.gz KMLLNZWRMCSQKR-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992117488 646858122 /nfs/dbraw/zinc/85/81/22/646858122.db2.gz KMLLNZWRMCSQKR-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874851 /nfs/dbraw/zinc/87/48/51/646874851.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874852 /nfs/dbraw/zinc/87/48/52/646874852.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149866 646874855 /nfs/dbraw/zinc/87/48/55/646874855.db2.gz OEIDLEFWLWIASP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3ccnc3C(C)C)CCC[C@@H]12 ZINC000992266037 646920920 /nfs/dbraw/zinc/92/09/20/646920920.db2.gz XUJLYAPZFDJSES-QAPCUYQASA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266037 646920923 /nfs/dbraw/zinc/92/09/23/646920923.db2.gz XUJLYAPZFDJSES-QAPCUYQASA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266037 646920925 /nfs/dbraw/zinc/92/09/25/646920925.db2.gz XUJLYAPZFDJSES-QAPCUYQASA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992403099 646971591 /nfs/dbraw/zinc/97/15/91/646971591.db2.gz ADUAJUNDZBXECL-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992403099 646971594 /nfs/dbraw/zinc/97/15/94/646971594.db2.gz ADUAJUNDZBXECL-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992403099 646971598 /nfs/dbraw/zinc/97/15/98/646971598.db2.gz ADUAJUNDZBXECL-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993528253 647690231 /nfs/dbraw/zinc/69/02/31/647690231.db2.gz KBKBXNMBSCBZGS-CRAIPNDOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993618834 647708212 /nfs/dbraw/zinc/70/82/12/647708212.db2.gz VPNSFEVQLHGCFH-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761265 647741050 /nfs/dbraw/zinc/74/10/50/647741050.db2.gz OKTJQIIVPFIQTM-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805986 647746866 /nfs/dbraw/zinc/74/68/66/647746866.db2.gz NXQMILFXXUDXDL-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805986 647746868 /nfs/dbraw/zinc/74/68/68/647746868.db2.gz NXQMILFXXUDXDL-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805986 647746873 /nfs/dbraw/zinc/74/68/73/647746873.db2.gz NXQMILFXXUDXDL-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@H+](C[C@@H](O)CN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770547 648180833 /nfs/dbraw/zinc/18/08/33/648180833.db2.gz IEFFSTXPRGUDOA-YJBOKZPZSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@@H+](C[C@@H](O)CN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770547 648180834 /nfs/dbraw/zinc/18/08/34/648180834.db2.gz IEFFSTXPRGUDOA-YJBOKZPZSA-N 2 1 301.434 2.398 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939236816 648607549 /nfs/dbraw/zinc/60/75/49/648607549.db2.gz RSROLOYXVOFNEO-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940738039 648935813 /nfs/dbraw/zinc/93/58/13/648935813.db2.gz VFTCBVLAHYKXER-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738039 648935814 /nfs/dbraw/zinc/93/58/14/648935814.db2.gz VFTCBVLAHYKXER-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940738039 648935816 /nfs/dbraw/zinc/93/58/16/648935816.db2.gz VFTCBVLAHYKXER-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940801151 648944777 /nfs/dbraw/zinc/94/47/77/648944777.db2.gz ODZPSTYMPVJXGJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801151 648944780 /nfs/dbraw/zinc/94/47/80/648944780.db2.gz ODZPSTYMPVJXGJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801151 648944783 /nfs/dbraw/zinc/94/47/83/648944783.db2.gz ODZPSTYMPVJXGJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237021 649027876 /nfs/dbraw/zinc/02/78/76/649027876.db2.gz GBWLYYFXANOLRD-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237021 649027879 /nfs/dbraw/zinc/02/78/79/649027879.db2.gz GBWLYYFXANOLRD-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237021 649027880 /nfs/dbraw/zinc/02/78/80/649027880.db2.gz GBWLYYFXANOLRD-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCC)CC1 ZINC000948448952 649229243 /nfs/dbraw/zinc/22/92/43/649229243.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCC)CC1 ZINC000948448952 649229244 /nfs/dbraw/zinc/22/92/44/649229244.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCC)CC1 ZINC000948448952 649229246 /nfs/dbraw/zinc/22/92/46/649229246.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCC)CC1 ZINC000948448952 649229248 /nfs/dbraw/zinc/22/92/48/649229248.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCC)CC1 ZINC000948448952 649229250 /nfs/dbraw/zinc/22/92/50/649229250.db2.gz LZAIBARNKBCJQS-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575173 649650437 /nfs/dbraw/zinc/65/04/37/649650437.db2.gz QTELGCVOYWXCBD-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575173 649650438 /nfs/dbraw/zinc/65/04/38/649650438.db2.gz QTELGCVOYWXCBD-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575173 649650439 /nfs/dbraw/zinc/65/04/39/649650439.db2.gz QTELGCVOYWXCBD-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575170 649650557 /nfs/dbraw/zinc/65/05/57/649650557.db2.gz QTELGCVOYWXCBD-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575170 649650559 /nfs/dbraw/zinc/65/05/59/649650559.db2.gz QTELGCVOYWXCBD-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575170 649650563 /nfs/dbraw/zinc/65/05/63/649650563.db2.gz QTELGCVOYWXCBD-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCCCCC1)Cc1ccccc1 ZINC000305043154 685266774 /nfs/dbraw/zinc/26/67/74/685266774.db2.gz DLKWGOMFPFHYNL-QGZVFWFLSA-N 2 1 302.466 2.350 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148522 693863019 /nfs/dbraw/zinc/86/30/19/693863019.db2.gz PDTRJKYTAOWKLH-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000303708980 685233351 /nfs/dbraw/zinc/23/33/51/685233351.db2.gz NLSKKHUSJCHGIK-HNNXBMFYSA-N 2 1 322.453 2.138 20 30 DEEDMP COc1ccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)cc1 ZINC000303718941 685233393 /nfs/dbraw/zinc/23/33/93/685233393.db2.gz VNCRIBQLZBURAE-MRXNPFEDSA-N 2 1 304.438 2.145 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303906338 685240421 /nfs/dbraw/zinc/24/04/21/685240421.db2.gz ZWLMZPAOFFHUEO-OAHLLOKOSA-N 2 1 300.450 2.234 20 30 DEEDMP C[C@H](CNC(=[NH2+])N1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906338 685240426 /nfs/dbraw/zinc/24/04/26/685240426.db2.gz ZWLMZPAOFFHUEO-OAHLLOKOSA-N 2 1 300.450 2.234 20 30 DEEDMP C[N@@H+]1CCC(N=NC(N)=[NH2+])C[C@@H]1c1ccc(Br)cc1 ZINC000863079524 686430686 /nfs/dbraw/zinc/43/06/86/686430686.db2.gz PVYKVTFMNKPWNX-GFCCVEGCSA-N 2 1 324.226 2.055 20 30 DEEDMP C[N@H+]1CCC(N=NC(N)=[NH2+])C[C@@H]1c1ccc(Br)cc1 ZINC000863079524 686430690 /nfs/dbraw/zinc/43/06/90/686430690.db2.gz PVYKVTFMNKPWNX-GFCCVEGCSA-N 2 1 324.226 2.055 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000865600109 687272978 /nfs/dbraw/zinc/27/29/78/687272978.db2.gz DKOBFJVQUXVKSY-OAHLLOKOSA-N 2 1 300.450 2.446 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860957 687720396 /nfs/dbraw/zinc/72/03/96/687720396.db2.gz LHKDQHMREYLXFX-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001019076214 688281068 /nfs/dbraw/zinc/28/10/68/688281068.db2.gz QVWZGBYJQSEEQL-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918366 689020478 /nfs/dbraw/zinc/02/04/78/689020478.db2.gz IJLGAHWPEDHIGU-KRWDZBQOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043141 689048498 /nfs/dbraw/zinc/04/84/98/689048498.db2.gz VWTMJTXTFHOVRD-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032493340 689166550 /nfs/dbraw/zinc/16/65/50/689166550.db2.gz QRVAUOYZSLVMCH-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493340 689166551 /nfs/dbraw/zinc/16/65/51/689166551.db2.gz QRVAUOYZSLVMCH-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493340 689166553 /nfs/dbraw/zinc/16/65/53/689166553.db2.gz QRVAUOYZSLVMCH-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033077998 689378736 /nfs/dbraw/zinc/37/87/36/689378736.db2.gz VDWHDGNRNFXDNM-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145577 689403964 /nfs/dbraw/zinc/40/39/64/689403964.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145577 689403965 /nfs/dbraw/zinc/40/39/65/689403965.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145577 689403967 /nfs/dbraw/zinc/40/39/67/689403967.db2.gz IGFHBOBGHLOKIE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366535 689478732 /nfs/dbraw/zinc/47/87/32/689478732.db2.gz SHADCHKUBOLNCY-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366535 689478737 /nfs/dbraw/zinc/47/87/37/689478737.db2.gz SHADCHKUBOLNCY-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684940 689583615 /nfs/dbraw/zinc/58/36/15/689583615.db2.gz JHSYKDRFHFTJPA-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877595 689647790 /nfs/dbraw/zinc/64/77/90/689647790.db2.gz KJALIUFFIVVGDG-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238933 689777133 /nfs/dbraw/zinc/77/71/33/689777133.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238933 689777134 /nfs/dbraw/zinc/77/71/34/689777134.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238933 689777136 /nfs/dbraw/zinc/77/71/36/689777136.db2.gz OYCSMMFXJOQQBN-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034240959 689777852 /nfs/dbraw/zinc/77/78/52/689777852.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240959 689777855 /nfs/dbraw/zinc/77/78/55/689777855.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240959 689777857 /nfs/dbraw/zinc/77/78/57/689777857.db2.gz VHEULQUQZWAHCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034240953 689778121 /nfs/dbraw/zinc/77/81/21/689778121.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240953 689778124 /nfs/dbraw/zinc/77/81/24/689778124.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240953 689778127 /nfs/dbraw/zinc/77/81/27/689778127.db2.gz VHEULQUQZWAHCO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251166 689782558 /nfs/dbraw/zinc/78/25/58/689782558.db2.gz WHCPRUCJIBEFQM-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034251166 689782561 /nfs/dbraw/zinc/78/25/61/689782561.db2.gz WHCPRUCJIBEFQM-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426658 689846036 /nfs/dbraw/zinc/84/60/36/689846036.db2.gz OKPCNBSCXCATHI-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426658 689846040 /nfs/dbraw/zinc/84/60/40/689846040.db2.gz OKPCNBSCXCATHI-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001034511889 689880826 /nfs/dbraw/zinc/88/08/26/689880826.db2.gz SDKYCUVJOGPHRK-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001034511889 689880828 /nfs/dbraw/zinc/88/08/28/689880828.db2.gz SDKYCUVJOGPHRK-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001034511889 689880830 /nfs/dbraw/zinc/88/08/30/689880830.db2.gz SDKYCUVJOGPHRK-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876725808 689916818 /nfs/dbraw/zinc/91/68/18/689916818.db2.gz XXGOSJXVBXROOE-TZMCWYRMSA-N 2 1 301.862 2.085 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763170 689929130 /nfs/dbraw/zinc/92/91/30/689929130.db2.gz IOMISWWRTXLYKX-HIFRSBDPSA-N 2 1 309.841 2.093 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876875740 689960840 /nfs/dbraw/zinc/96/08/40/689960840.db2.gz YYHWHJIBADKTSB-CVEARBPZSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035733306 690163451 /nfs/dbraw/zinc/16/34/51/690163451.db2.gz YIMMNYNFQXTPLO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035750690 690167596 /nfs/dbraw/zinc/16/75/96/690167596.db2.gz RHASOEMFNUTEEK-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772669 690172628 /nfs/dbraw/zinc/17/26/28/690172628.db2.gz IHZWQEYEGFBLMQ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036755302 690460005 /nfs/dbraw/zinc/46/00/05/690460005.db2.gz UEJPCLLRLOGEIJ-YJBOKZPZSA-N 2 1 324.428 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810151 690481224 /nfs/dbraw/zinc/48/12/24/690481224.db2.gz WPVTVSPMVBWZNO-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355443 690792642 /nfs/dbraw/zinc/79/26/42/690792642.db2.gz ZWQZAAPMXNIRAN-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355443 690792644 /nfs/dbraw/zinc/79/26/44/690792644.db2.gz ZWQZAAPMXNIRAN-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038355443 690792648 /nfs/dbraw/zinc/79/26/48/690792648.db2.gz ZWQZAAPMXNIRAN-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001038443123 690824911 /nfs/dbraw/zinc/82/49/11/690824911.db2.gz GEILTDUDIMYRIB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443123 690824916 /nfs/dbraw/zinc/82/49/16/690824916.db2.gz GEILTDUDIMYRIB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001038443123 690824920 /nfs/dbraw/zinc/82/49/20/690824920.db2.gz GEILTDUDIMYRIB-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038908877 690963073 /nfs/dbraw/zinc/96/30/73/690963073.db2.gz NVXZQGLGBTYUCL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038908877 690963076 /nfs/dbraw/zinc/96/30/76/690963076.db2.gz NVXZQGLGBTYUCL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038908877 690963078 /nfs/dbraw/zinc/96/30/78/690963078.db2.gz NVXZQGLGBTYUCL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039049239 691003223 /nfs/dbraw/zinc/00/32/23/691003223.db2.gz JWGOWNIZNBBDOR-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174424 691040218 /nfs/dbraw/zinc/04/02/18/691040218.db2.gz VKVZXVHJTXXJQU-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174424 691040220 /nfs/dbraw/zinc/04/02/20/691040220.db2.gz VKVZXVHJTXXJQU-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174424 691040222 /nfs/dbraw/zinc/04/02/22/691040222.db2.gz VKVZXVHJTXXJQU-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342120 691363114 /nfs/dbraw/zinc/36/31/14/691363114.db2.gz COWCVYCYCHITOE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342120 691363118 /nfs/dbraw/zinc/36/31/18/691363118.db2.gz COWCVYCYCHITOE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342120 691363119 /nfs/dbraw/zinc/36/31/19/691363119.db2.gz COWCVYCYCHITOE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041340761 691363827 /nfs/dbraw/zinc/36/38/27/691363827.db2.gz YMVCEUBOSAEFKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340761 691363836 /nfs/dbraw/zinc/36/38/36/691363836.db2.gz YMVCEUBOSAEFKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340761 691363842 /nfs/dbraw/zinc/36/38/42/691363842.db2.gz YMVCEUBOSAEFKC-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380556 691369968 /nfs/dbraw/zinc/36/99/68/691369968.db2.gz ZUARFIPDHLYSRN-WMZOPIPTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670423 691407767 /nfs/dbraw/zinc/40/77/67/691407767.db2.gz HUQLNCJEZROBDJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670423 691407769 /nfs/dbraw/zinc/40/77/69/691407769.db2.gz HUQLNCJEZROBDJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670423 691407772 /nfs/dbraw/zinc/40/77/72/691407772.db2.gz HUQLNCJEZROBDJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095920 691507073 /nfs/dbraw/zinc/50/70/73/691507073.db2.gz RPDCRLDVUGKEIS-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095920 691507075 /nfs/dbraw/zinc/50/70/75/691507075.db2.gz RPDCRLDVUGKEIS-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095920 691507078 /nfs/dbraw/zinc/50/70/78/691507078.db2.gz RPDCRLDVUGKEIS-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132745 691517540 /nfs/dbraw/zinc/51/75/40/691517540.db2.gz HUYGMEIJHJKDTJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464555 /nfs/dbraw/zinc/46/45/55/694464555.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 1 312.417 2.055 20 30 DEEDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1cccc(C#N)c1 ZINC000931724049 694464558 /nfs/dbraw/zinc/46/45/58/694464558.db2.gz VTLAYPKQHUDHRU-DLBZAZTESA-N 2 1 312.417 2.055 20 30 DEEDMP CC1([NH+]2CCCC2)CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000884461705 691743533 /nfs/dbraw/zinc/74/35/33/691743533.db2.gz LUHUACWNHXNTSW-UHFFFAOYSA-N 2 1 322.497 2.083 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966269 692064355 /nfs/dbraw/zinc/06/43/55/692064355.db2.gz SMKHZXBJXOTLKB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966269 692064358 /nfs/dbraw/zinc/06/43/58/692064358.db2.gz SMKHZXBJXOTLKB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966269 692064361 /nfs/dbraw/zinc/06/43/61/692064361.db2.gz SMKHZXBJXOTLKB-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048526256 692639744 /nfs/dbraw/zinc/63/97/44/692639744.db2.gz PFDRNLAIEAFSAN-FLXSYLCISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048526256 692639747 /nfs/dbraw/zinc/63/97/47/692639747.db2.gz PFDRNLAIEAFSAN-FLXSYLCISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048526256 692639751 /nfs/dbraw/zinc/63/97/51/692639751.db2.gz PFDRNLAIEAFSAN-FLXSYLCISA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482251 692896353 /nfs/dbraw/zinc/89/63/53/692896353.db2.gz LMYPYNVWFDTQRV-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482251 692896357 /nfs/dbraw/zinc/89/63/57/692896357.db2.gz LMYPYNVWFDTQRV-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482251 692896359 /nfs/dbraw/zinc/89/63/59/692896359.db2.gz LMYPYNVWFDTQRV-BSDSXHPESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049525439 692912577 /nfs/dbraw/zinc/91/25/77/692912577.db2.gz QOMJHTMNRNHCIP-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535236 692915175 /nfs/dbraw/zinc/91/51/75/692915175.db2.gz ZGXFRJNHUXBAJC-ULQDDVLXSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763775 692992147 /nfs/dbraw/zinc/99/21/47/692992147.db2.gz YOSAUIULJFYFFY-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050156581 693124404 /nfs/dbraw/zinc/12/44/04/693124404.db2.gz QUVGLTNYPIVTQD-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050660995 693226815 /nfs/dbraw/zinc/22/68/15/693226815.db2.gz LNHQNAWZGCAEDR-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC001052456309 693538764 /nfs/dbraw/zinc/53/87/64/693538764.db2.gz DFLNRTSPFQAZNO-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001052456309 693538768 /nfs/dbraw/zinc/53/87/68/693538768.db2.gz DFLNRTSPFQAZNO-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC001052456309 693538772 /nfs/dbraw/zinc/53/87/72/693538772.db2.gz DFLNRTSPFQAZNO-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC(=C)C)CC1 ZINC001052456309 693538775 /nfs/dbraw/zinc/53/87/75/693538775.db2.gz DFLNRTSPFQAZNO-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956280 693656657 /nfs/dbraw/zinc/65/66/57/693656657.db2.gz RGUUWOSDMNFVEX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956280 693656658 /nfs/dbraw/zinc/65/66/58/693656658.db2.gz RGUUWOSDMNFVEX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956280 693656659 /nfs/dbraw/zinc/65/66/59/693656659.db2.gz RGUUWOSDMNFVEX-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001479893860 1151113294 /nfs/dbraw/zinc/11/32/94/1151113294.db2.gz YWMDVDDRBOSZKX-CQSZACIVSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001380077553 1152746715 /nfs/dbraw/zinc/74/67/15/1152746715.db2.gz QLEWMNVXURKMKL-UONOGXRCSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001380841424 1152864102 /nfs/dbraw/zinc/86/41/02/1152864102.db2.gz ZJJSSVYXKAHMMY-DZGCQCFKSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001382135994 1153373476 /nfs/dbraw/zinc/37/34/76/1153373476.db2.gz QIJPTUWVJGUJDE-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001389329289 1155311125 /nfs/dbraw/zinc/31/11/25/1155311125.db2.gz VVRXFGQHDRZYIN-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001394205929 1158368449 /nfs/dbraw/zinc/36/84/49/1158368449.db2.gz PSHIEWDBKGMHIN-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001375774997 1158868532 /nfs/dbraw/zinc/86/85/32/1158868532.db2.gz IFOFAAZOVIQIDY-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001402008691 1162214875 /nfs/dbraw/zinc/21/48/75/1162214875.db2.gz BTJFFDDNARIZRS-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001402008691 1162214878 /nfs/dbraw/zinc/21/48/78/1162214878.db2.gz BTJFFDDNARIZRS-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001402008691 1162214880 /nfs/dbraw/zinc/21/48/80/1162214880.db2.gz BTJFFDDNARIZRS-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001402008691 1162214883 /nfs/dbraw/zinc/21/48/83/1162214883.db2.gz BTJFFDDNARIZRS-INIZCTEOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001405969812 1164362931 /nfs/dbraw/zinc/36/29/31/1164362931.db2.gz MIWFHAGTTJKWJU-UKRRQHHQSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001406176912 1164493627 /nfs/dbraw/zinc/49/36/27/1164493627.db2.gz FNMSPAAVPRNGCW-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001406176912 1164493629 /nfs/dbraw/zinc/49/36/29/1164493629.db2.gz FNMSPAAVPRNGCW-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001406176912 1164493633 /nfs/dbraw/zinc/49/36/33/1164493633.db2.gz FNMSPAAVPRNGCW-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001417898241 1167290942 /nfs/dbraw/zinc/29/09/42/1167290942.db2.gz HWRRHAFUKZWEDG-CABCVRRESA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001418345556 1167587743 /nfs/dbraw/zinc/58/77/43/1167587743.db2.gz BHPPLFHDQZQXNC-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001422919492 1172932479 /nfs/dbraw/zinc/93/24/79/1172932479.db2.gz PSEKFROQVGVZOT-GDBMZVCRSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001425888813 1174499224 /nfs/dbraw/zinc/49/92/24/1174499224.db2.gz PUKTUCPCTAVAKF-UKRRQHHQSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001439418036 1181081458 /nfs/dbraw/zinc/08/14/58/1181081458.db2.gz LARMYZIXHNIWIX-HUUCEWRRSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850504 790273297 /nfs/dbraw/zinc/27/32/97/790273297.db2.gz ZWRGCEQQFYWAAJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850504 790273302 /nfs/dbraw/zinc/27/33/02/790273302.db2.gz ZWRGCEQQFYWAAJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850504 790273306 /nfs/dbraw/zinc/27/33/06/790273306.db2.gz ZWRGCEQQFYWAAJ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332218711 1149837005 /nfs/dbraw/zinc/83/70/05/1149837005.db2.gz LRTHLIYYKBKGLY-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332900812 1149920532 /nfs/dbraw/zinc/92/05/32/1149920532.db2.gz WXMZGAXHFHDNFQ-IAGOWNOFSA-N 2 1 315.461 2.043 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001408303161 1165574651 /nfs/dbraw/zinc/57/46/51/1165574651.db2.gz ZJJSSVYXKAHMMY-ZFWWWQNUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964047 779576030 /nfs/dbraw/zinc/57/60/30/779576030.db2.gz UJIWYMLPCVKRTI-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964047 779576034 /nfs/dbraw/zinc/57/60/34/779576034.db2.gz UJIWYMLPCVKRTI-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964047 779576037 /nfs/dbraw/zinc/57/60/37/779576037.db2.gz UJIWYMLPCVKRTI-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099203779 782578902 /nfs/dbraw/zinc/57/89/02/782578902.db2.gz ROSZZLASGITWOM-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099203779 782578905 /nfs/dbraw/zinc/57/89/05/782578905.db2.gz ROSZZLASGITWOM-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947473855 783146310 /nfs/dbraw/zinc/14/63/10/783146310.db2.gz OUPFYFIKJWCXBW-GDBMZVCRSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560116 783207683 /nfs/dbraw/zinc/20/76/83/783207683.db2.gz WCRLWJAFSJASSX-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560116 783207689 /nfs/dbraw/zinc/20/76/89/783207689.db2.gz WCRLWJAFSJASSX-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726284 783214157 /nfs/dbraw/zinc/21/41/57/783214157.db2.gz LPZCQKZAUNNFDV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726284 783214164 /nfs/dbraw/zinc/21/41/64/783214164.db2.gz LPZCQKZAUNNFDV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726284 783214172 /nfs/dbraw/zinc/21/41/72/783214172.db2.gz LPZCQKZAUNNFDV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033730 790406853 /nfs/dbraw/zinc/40/68/53/790406853.db2.gz SULUYXCMXYFZKK-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033730 790406859 /nfs/dbraw/zinc/40/68/59/790406859.db2.gz SULUYXCMXYFZKK-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033730 790406865 /nfs/dbraw/zinc/40/68/65/790406865.db2.gz SULUYXCMXYFZKK-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114989857 777258989 /nfs/dbraw/zinc/25/89/89/777258989.db2.gz VYLQLVRGYCWZJD-VSZNYVQBSA-N 2 1 321.509 2.365 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104874092 778225596 /nfs/dbraw/zinc/22/55/96/778225596.db2.gz ONTXEOVJYAMGRW-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454388 790665602 /nfs/dbraw/zinc/66/56/02/790665602.db2.gz LMBOESUBOCKEGU-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087710945 779418210 /nfs/dbraw/zinc/41/82/10/779418210.db2.gz AVELMSVITSMCDQ-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087710945 779418213 /nfs/dbraw/zinc/41/82/13/779418213.db2.gz AVELMSVITSMCDQ-LSDHHAIUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@H]1CC ZINC001087720326 779423084 /nfs/dbraw/zinc/42/30/84/779423084.db2.gz OSWPEOZJOXUZLY-IJEWVQPXSA-N 2 1 316.449 2.375 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798603 779456030 /nfs/dbraw/zinc/45/60/30/779456030.db2.gz AMVPXJNJRZBEEM-JKSUJKDBSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798603 779456035 /nfs/dbraw/zinc/45/60/35/779456035.db2.gz AMVPXJNJRZBEEM-JKSUJKDBSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495805 779866569 /nfs/dbraw/zinc/86/65/69/779866569.db2.gz KNYPOJQVNRUCDV-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985495805 779866574 /nfs/dbraw/zinc/86/65/74/779866574.db2.gz KNYPOJQVNRUCDV-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985495805 779866579 /nfs/dbraw/zinc/86/65/79/779866579.db2.gz KNYPOJQVNRUCDV-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620757 780657598 /nfs/dbraw/zinc/65/75/98/780657598.db2.gz AGAFJPQLCIMFKC-OWCLPIDISA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620757 780657605 /nfs/dbraw/zinc/65/76/05/780657605.db2.gz AGAFJPQLCIMFKC-OWCLPIDISA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335639 780851845 /nfs/dbraw/zinc/85/18/45/780851845.db2.gz NKDQAIZDLZGHDW-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641335 783311197 /nfs/dbraw/zinc/31/11/97/783311197.db2.gz KVDIUJYOXUPOAW-SJORKVTESA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099099 783560504 /nfs/dbraw/zinc/56/05/04/783560504.db2.gz CHCZHANTOVLMDV-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639041 783915387 /nfs/dbraw/zinc/91/53/87/783915387.db2.gz GVXAQWPPHWBXAV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639041 783915395 /nfs/dbraw/zinc/91/53/95/783915395.db2.gz GVXAQWPPHWBXAV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639041 783915401 /nfs/dbraw/zinc/91/54/01/783915401.db2.gz GVXAQWPPHWBXAV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374415 783968573 /nfs/dbraw/zinc/96/85/73/783968573.db2.gz BPMPOCJYWKMMKO-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085787945 784081813 /nfs/dbraw/zinc/08/18/13/784081813.db2.gz AHEKMTDPLCFRST-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085787945 784081820 /nfs/dbraw/zinc/08/18/20/784081820.db2.gz AHEKMTDPLCFRST-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378113 784339019 /nfs/dbraw/zinc/33/90/19/784339019.db2.gz NTOWEZJNUAOCIV-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497978 784426710 /nfs/dbraw/zinc/42/67/10/784426710.db2.gz UNFVRQRDLFPLNK-YJBOKZPZSA-N 2 1 324.428 2.499 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001114920990 784488654 /nfs/dbraw/zinc/48/86/54/784488654.db2.gz DYQSLFSGAYTINV-WNRNVDISSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129327834 784508541 /nfs/dbraw/zinc/50/85/41/784508541.db2.gz JUVZKEPKTSGGQU-QGZVFWFLSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681595 784539164 /nfs/dbraw/zinc/53/91/64/784539164.db2.gz KJFYIVPTHISITG-MAUKXSAKSA-N 2 1 315.461 2.374 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)C ZINC000968892894 784639480 /nfs/dbraw/zinc/63/94/80/784639480.db2.gz DPPBOGPTXAZBJI-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968933959 784658704 /nfs/dbraw/zinc/65/87/04/784658704.db2.gz ISCZOVMDLOMXOO-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235084 791078573 /nfs/dbraw/zinc/07/85/73/791078573.db2.gz DMAAQHBBLKKYON-ROUUACIJSA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146019 785395864 /nfs/dbraw/zinc/39/58/64/785395864.db2.gz QCXXMFPWLWMKSF-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112586347 786165317 /nfs/dbraw/zinc/16/53/17/786165317.db2.gz VIOIESTUGQEYRC-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112837807 786249917 /nfs/dbraw/zinc/24/99/17/786249917.db2.gz WGPSEJNBOWZHLH-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112960493 786328767 /nfs/dbraw/zinc/32/87/67/786328767.db2.gz MGXHTZWYINFRKT-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015060039 786880624 /nfs/dbraw/zinc/88/06/24/786880624.db2.gz RMFQHMGBEQIZTM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060039 786880637 /nfs/dbraw/zinc/88/06/37/786880637.db2.gz RMFQHMGBEQIZTM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001015060039 786880650 /nfs/dbraw/zinc/88/06/50/786880650.db2.gz RMFQHMGBEQIZTM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713272 787196292 /nfs/dbraw/zinc/19/62/92/787196292.db2.gz LVRHDSBSYMJGBQ-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095962917 787425877 /nfs/dbraw/zinc/42/58/77/787425877.db2.gz MDSLQYZYMHSPOI-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219880 788025144 /nfs/dbraw/zinc/02/51/44/788025144.db2.gz OYPTVBPMZIWICW-LVQVYYBASA-N 2 1 314.433 2.058 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219880 788025148 /nfs/dbraw/zinc/02/51/48/788025148.db2.gz OYPTVBPMZIWICW-LVQVYYBASA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580775 788139668 /nfs/dbraw/zinc/13/96/68/788139668.db2.gz KLKOKCHEMVOVLX-BDXSIMOUSA-N 2 1 317.477 2.158 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694910 788182944 /nfs/dbraw/zinc/18/29/44/788182944.db2.gz KGJLUIYWXATARA-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694910 788182946 /nfs/dbraw/zinc/18/29/46/788182946.db2.gz KGJLUIYWXATARA-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694910 788182950 /nfs/dbraw/zinc/18/29/50/788182950.db2.gz KGJLUIYWXATARA-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790976 788194729 /nfs/dbraw/zinc/19/47/29/788194729.db2.gz OOCGVAKWNJQEFT-HNNXBMFYSA-N 2 1 313.873 2.242 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132978173 788245849 /nfs/dbraw/zinc/24/58/49/788245849.db2.gz RKRJGTNAJQTKGS-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133229327 788324995 /nfs/dbraw/zinc/32/49/95/788324995.db2.gz IRBGPAJPADDLHW-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133275143 788346626 /nfs/dbraw/zinc/34/66/26/788346626.db2.gz PYDFZMGELREGFD-ZFWWWQNUSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716683 788734886 /nfs/dbraw/zinc/73/48/86/788734886.db2.gz MMEHJBSAWVALNZ-YESZJQIVSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071599824 789804027 /nfs/dbraw/zinc/80/40/27/789804027.db2.gz AXHXOCPFVGXJTP-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813563 790256552 /nfs/dbraw/zinc/25/65/52/790256552.db2.gz WNZLKEAQXBQPNZ-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813563 790256554 /nfs/dbraw/zinc/25/65/54/790256554.db2.gz WNZLKEAQXBQPNZ-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813563 790256556 /nfs/dbraw/zinc/25/65/56/790256556.db2.gz WNZLKEAQXBQPNZ-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171307595 791558759 /nfs/dbraw/zinc/55/87/59/791558759.db2.gz IZLLMFRLZGKZDN-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CCC1 ZINC001171307595 791558763 /nfs/dbraw/zinc/55/87/63/791558763.db2.gz IZLLMFRLZGKZDN-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772773 791612352 /nfs/dbraw/zinc/61/23/52/791612352.db2.gz CKRVGZLGTLPRBE-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148641326 791780482 /nfs/dbraw/zinc/78/04/82/791780482.db2.gz ZNRGWTCIYSLZMA-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748379 791799790 /nfs/dbraw/zinc/79/97/90/791799790.db2.gz QKXUBBZWLREXCS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748379 791799793 /nfs/dbraw/zinc/79/97/93/791799793.db2.gz QKXUBBZWLREXCS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748379 791799796 /nfs/dbraw/zinc/79/97/96/791799796.db2.gz QKXUBBZWLREXCS-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754102 791815128 /nfs/dbraw/zinc/81/51/28/791815128.db2.gz DCMXJSYYRXSWRC-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754102 791815133 /nfs/dbraw/zinc/81/51/33/791815133.db2.gz DCMXJSYYRXSWRC-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754102 791815135 /nfs/dbraw/zinc/81/51/35/791815135.db2.gz DCMXJSYYRXSWRC-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302245 791973252 /nfs/dbraw/zinc/97/32/52/791973252.db2.gz VBYQCHAVVLJUIX-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302245 791973255 /nfs/dbraw/zinc/97/32/55/791973255.db2.gz VBYQCHAVVLJUIX-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302245 791973259 /nfs/dbraw/zinc/97/32/59/791973259.db2.gz VBYQCHAVVLJUIX-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650900 792096008 /nfs/dbraw/zinc/09/60/08/792096008.db2.gz WRZSHHTYDOEQSS-UKRRQHHQSA-N 2 1 321.490 2.293 20 30 DEEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548301 792238266 /nfs/dbraw/zinc/23/82/66/792238266.db2.gz SRLFQNSAKPCLQL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548301 792238273 /nfs/dbraw/zinc/23/82/73/792238273.db2.gz SRLFQNSAKPCLQL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548301 792238278 /nfs/dbraw/zinc/23/82/78/792238278.db2.gz SRLFQNSAKPCLQL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344803 792602966 /nfs/dbraw/zinc/60/29/66/792602966.db2.gz GFFVKEPGMMLUPX-SJJHQCBESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403405 792631899 /nfs/dbraw/zinc/63/18/99/792631899.db2.gz MSSDGSMXIBYGCE-AQFXKWCLSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606718 792747847 /nfs/dbraw/zinc/74/78/47/792747847.db2.gz UAQDWUKPXFEKDQ-SOEBMCCKSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380534 792898208 /nfs/dbraw/zinc/89/82/08/792898208.db2.gz SBLISAAARVFDHD-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380534 792898216 /nfs/dbraw/zinc/89/82/16/792898216.db2.gz SBLISAAARVFDHD-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380534 792898223 /nfs/dbraw/zinc/89/82/23/792898223.db2.gz SBLISAAARVFDHD-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449347 792929020 /nfs/dbraw/zinc/92/90/20/792929020.db2.gz MYUNLBPWSSZRMP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449347 792929027 /nfs/dbraw/zinc/92/90/27/792929027.db2.gz MYUNLBPWSSZRMP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449347 792929034 /nfs/dbraw/zinc/92/90/34/792929034.db2.gz MYUNLBPWSSZRMP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477515 793174212 /nfs/dbraw/zinc/17/42/12/793174212.db2.gz YDBLZIKRLKSFQF-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477515 793174218 /nfs/dbraw/zinc/17/42/18/793174218.db2.gz YDBLZIKRLKSFQF-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477515 793174224 /nfs/dbraw/zinc/17/42/24/793174224.db2.gz YDBLZIKRLKSFQF-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375747 793594743 /nfs/dbraw/zinc/59/47/43/793594743.db2.gz ZQSGBVWFWLCQQJ-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375747 793594750 /nfs/dbraw/zinc/59/47/50/793594750.db2.gz ZQSGBVWFWLCQQJ-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375747 793594759 /nfs/dbraw/zinc/59/47/59/793594759.db2.gz ZQSGBVWFWLCQQJ-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434022 793613822 /nfs/dbraw/zinc/61/38/22/793613822.db2.gz LLKFIAILJCGDDB-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583074 793663960 /nfs/dbraw/zinc/66/39/60/793663960.db2.gz PGSBYWWEHQINNE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232591 793993779 /nfs/dbraw/zinc/99/37/79/793993779.db2.gz XAYNDJPAUHCSPK-HUUCEWRRSA-N 2 1 312.417 2.208 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882791 794082463 /nfs/dbraw/zinc/08/24/63/794082463.db2.gz XHTLQFHYWDXFAB-SJORKVTESA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438422 794091283 /nfs/dbraw/zinc/09/12/83/794091283.db2.gz HXBVGLFXTDKALT-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438422 794091291 /nfs/dbraw/zinc/09/12/91/794091291.db2.gz HXBVGLFXTDKALT-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438422 794091304 /nfs/dbraw/zinc/09/13/04/794091304.db2.gz HXBVGLFXTDKALT-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497731 794118945 /nfs/dbraw/zinc/11/89/45/794118945.db2.gz VVZLOICLHDRTFX-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596599 794833833 /nfs/dbraw/zinc/83/38/33/794833833.db2.gz OAPLQQDICKIWMK-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730909 794898950 /nfs/dbraw/zinc/89/89/50/794898950.db2.gz ULGNRRGXNRKSJF-HZPDHXFCSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484366 794936005 /nfs/dbraw/zinc/93/60/05/794936005.db2.gz UCNQWHUSXGVUHC-IAGOWNOFSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811121 795002824 /nfs/dbraw/zinc/00/28/24/795002824.db2.gz RILQKCYOLCMCML-QZTJIDSGSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150022 795068978 /nfs/dbraw/zinc/06/89/78/795068978.db2.gz IKNVGZRYEDMSQM-KBMXLJTQSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181780870 795538706 /nfs/dbraw/zinc/53/87/06/795538706.db2.gz CHVZXUUCIVSDCZ-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772897 795685945 /nfs/dbraw/zinc/68/59/45/795685945.db2.gz JYUKRBNOGWPBGS-NYXDSXFPSA-N 2 1 319.493 2.167 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121773115 795685988 /nfs/dbraw/zinc/68/59/88/795685988.db2.gz OIQVORMCZBIGDE-FIXVGMIGSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182630500 795715087 /nfs/dbraw/zinc/71/50/87/795715087.db2.gz YAIYMWSDEASSOZ-ZHALLVOQSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547114 795782133 /nfs/dbraw/zinc/78/21/33/795782133.db2.gz CZXVUQIOGSGIEB-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183254795 795838635 /nfs/dbraw/zinc/83/86/35/795838635.db2.gz GBPUVUINDYWKJH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCC=C)C1 ZINC001183354267 795853021 /nfs/dbraw/zinc/85/30/21/795853021.db2.gz YTSJHKPRFQKUOY-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCC=C)C1 ZINC001183354267 795853029 /nfs/dbraw/zinc/85/30/29/795853029.db2.gz YTSJHKPRFQKUOY-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001138121861 796166041 /nfs/dbraw/zinc/16/60/41/796166041.db2.gz OEJHWMZUCFQYDY-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167187 796199785 /nfs/dbraw/zinc/19/97/85/796199785.db2.gz CXDHBPMOASZHFW-IRXDYDNUSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCOc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1OC ZINC001138346555 796201522 /nfs/dbraw/zinc/20/15/22/796201522.db2.gz IACCFUFSJDDBGQ-UHFFFAOYSA-N 2 1 304.434 2.481 20 30 DEEDMP C#CCOc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1OC ZINC001138346555 796201529 /nfs/dbraw/zinc/20/15/29/796201529.db2.gz IACCFUFSJDDBGQ-UHFFFAOYSA-N 2 1 304.434 2.481 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185447296 796269759 /nfs/dbraw/zinc/26/97/59/796269759.db2.gz RGOMWCIGDLFZCS-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185447301 796270148 /nfs/dbraw/zinc/27/01/48/796270148.db2.gz RGOMWCIGDLFZCS-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185551324 796279926 /nfs/dbraw/zinc/27/99/26/796279926.db2.gz ZDBGCFFAHCQXLN-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872477 796293709 /nfs/dbraw/zinc/29/37/09/796293709.db2.gz GPUVIZBYMPJUNV-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186083128 796356197 /nfs/dbraw/zinc/35/61/97/796356197.db2.gz RWZXJIOGYSRMDM-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203043782 796533412 /nfs/dbraw/zinc/53/34/12/796533412.db2.gz FGORXZBKRXRUCE-IRXDYDNUSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001141544315 796675908 /nfs/dbraw/zinc/67/59/08/796675908.db2.gz MVXHBWFYBFQOAN-UHFFFAOYSA-N 2 1 315.461 2.147 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212862 796963924 /nfs/dbraw/zinc/96/39/24/796963924.db2.gz LXAUTMRQBGVWIK-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190363586 796988891 /nfs/dbraw/zinc/98/88/91/796988891.db2.gz RWEISPNOQVTMJX-YESZJQIVSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363586 796988894 /nfs/dbraw/zinc/98/88/94/796988894.db2.gz RWEISPNOQVTMJX-YESZJQIVSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654191 797050226 /nfs/dbraw/zinc/05/02/26/797050226.db2.gz IABYZIXDXQNOEX-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654191 797050230 /nfs/dbraw/zinc/05/02/30/797050230.db2.gz IABYZIXDXQNOEX-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654191 797050234 /nfs/dbraw/zinc/05/02/34/797050234.db2.gz IABYZIXDXQNOEX-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163257 797149625 /nfs/dbraw/zinc/14/96/25/797149625.db2.gz UYGNJHOTWLLKHZ-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551361 797225472 /nfs/dbraw/zinc/22/54/72/797225472.db2.gz KJOOQKZPGBDQHW-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312563 797319315 /nfs/dbraw/zinc/31/93/15/797319315.db2.gz KRJNAQLRVPRYKD-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153312563 797319320 /nfs/dbraw/zinc/31/93/20/797319320.db2.gz KRJNAQLRVPRYKD-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153312563 797319326 /nfs/dbraw/zinc/31/93/26/797319326.db2.gz KRJNAQLRVPRYKD-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153312563 797319331 /nfs/dbraw/zinc/31/93/31/797319331.db2.gz KRJNAQLRVPRYKD-CABCVRRESA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378052 797376569 /nfs/dbraw/zinc/37/65/69/797376569.db2.gz RHPWOZOLBKGKIK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378052 797376578 /nfs/dbraw/zinc/37/65/78/797376578.db2.gz RHPWOZOLBKGKIK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378052 797376585 /nfs/dbraw/zinc/37/65/85/797376585.db2.gz RHPWOZOLBKGKIK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001153728702 797383092 /nfs/dbraw/zinc/38/30/92/797383092.db2.gz SQMGMFNQPHAFNP-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153728702 797383099 /nfs/dbraw/zinc/38/30/99/797383099.db2.gz SQMGMFNQPHAFNP-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728702 797383105 /nfs/dbraw/zinc/38/31/05/797383105.db2.gz SQMGMFNQPHAFNP-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153728702 797383114 /nfs/dbraw/zinc/38/31/14/797383114.db2.gz SQMGMFNQPHAFNP-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990988 797438650 /nfs/dbraw/zinc/43/86/50/797438650.db2.gz ZRQYGTOTQYSBGK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001154083179 797458626 /nfs/dbraw/zinc/45/86/26/797458626.db2.gz LDSAHLXJTYDSOK-HZPDHXFCSA-N 2 1 318.465 2.238 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193696060 797613845 /nfs/dbraw/zinc/61/38/45/797613845.db2.gz PNYHMSLGHOCBBR-UKRRQHHQSA-N 2 1 304.438 2.148 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027214 797665749 /nfs/dbraw/zinc/66/57/49/797665749.db2.gz PNXWTROZTPURBZ-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027214 797665752 /nfs/dbraw/zinc/66/57/52/797665752.db2.gz PNXWTROZTPURBZ-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226876 797712485 /nfs/dbraw/zinc/71/24/85/797712485.db2.gz QECOCIVUAIUAQI-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226876 797712489 /nfs/dbraw/zinc/71/24/89/797712489.db2.gz QECOCIVUAIUAQI-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226876 797712490 /nfs/dbraw/zinc/71/24/90/797712490.db2.gz QECOCIVUAIUAQI-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226876 797712493 /nfs/dbraw/zinc/71/24/93/797712493.db2.gz QECOCIVUAIUAQI-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238012 797715420 /nfs/dbraw/zinc/71/54/20/797715420.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238012 797715425 /nfs/dbraw/zinc/71/54/25/797715425.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238012 797715429 /nfs/dbraw/zinc/71/54/29/797715429.db2.gz UPVHQUGPXVVUFY-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430518 797731369 /nfs/dbraw/zinc/73/13/69/797731369.db2.gz VXRZYKOZEQCRLT-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163016 798013932 /nfs/dbraw/zinc/01/39/32/798013932.db2.gz FBVLDSLWBIMQGN-RDJZCZTQSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092059 798142388 /nfs/dbraw/zinc/14/23/88/798142388.db2.gz HZYHUDLUTKYAPQ-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092059 798142391 /nfs/dbraw/zinc/14/23/91/798142391.db2.gz HZYHUDLUTKYAPQ-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158108 798156585 /nfs/dbraw/zinc/15/65/85/798156585.db2.gz HLYMJQVYNJTZDQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158108 798156588 /nfs/dbraw/zinc/15/65/88/798156588.db2.gz HLYMJQVYNJTZDQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158108 798156590 /nfs/dbraw/zinc/15/65/90/798156590.db2.gz HLYMJQVYNJTZDQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978358 798319739 /nfs/dbraw/zinc/31/97/39/798319739.db2.gz SJNPHLNQBUTPHQ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978358 798319743 /nfs/dbraw/zinc/31/97/43/798319743.db2.gz SJNPHLNQBUTPHQ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978358 798319749 /nfs/dbraw/zinc/31/97/49/798319749.db2.gz SJNPHLNQBUTPHQ-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435216 798407873 /nfs/dbraw/zinc/40/78/73/798407873.db2.gz YBAJYZGSLAYJHJ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435216 798407878 /nfs/dbraw/zinc/40/78/78/798407878.db2.gz YBAJYZGSLAYJHJ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872665 798482721 /nfs/dbraw/zinc/48/27/21/798482721.db2.gz VBUWVQZVMDCEBA-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872665 798482726 /nfs/dbraw/zinc/48/27/26/798482726.db2.gz VBUWVQZVMDCEBA-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159915224 798624550 /nfs/dbraw/zinc/62/45/50/798624550.db2.gz HTYQNLXAAOEDMJ-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155361 798656028 /nfs/dbraw/zinc/65/60/28/798656028.db2.gz CHYFLUIGPMPSRZ-SFHVURJKSA-N 2 1 317.477 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360311 798679515 /nfs/dbraw/zinc/67/95/15/798679515.db2.gz ONHHKXABRMPDMD-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367995 798680028 /nfs/dbraw/zinc/68/00/28/798680028.db2.gz YAYNXEHKCUUNOZ-KRWDZBQOSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367996 798680382 /nfs/dbraw/zinc/68/03/82/798680382.db2.gz YAYNXEHKCUUNOZ-QGZVFWFLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518908 798698993 /nfs/dbraw/zinc/69/89/93/798698993.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518908 798698994 /nfs/dbraw/zinc/69/89/94/798698994.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518908 798698996 /nfs/dbraw/zinc/69/89/96/798698996.db2.gz SUFJYRQMYRARNV-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001153368764 799018048 /nfs/dbraw/zinc/01/80/48/799018048.db2.gz XKISKIWVNOMPGS-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095440035 799597242 /nfs/dbraw/zinc/59/72/42/799597242.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095440035 799597245 /nfs/dbraw/zinc/59/72/45/799597245.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095440035 799597248 /nfs/dbraw/zinc/59/72/48/799597248.db2.gz RIXITVGELXEKFV-HMDCTGQHSA-N 2 1 305.466 2.014 20 30 DEEDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(CC#N)ccn2)CC1 ZINC001165109094 799652331 /nfs/dbraw/zinc/65/23/31/799652331.db2.gz NAEGHMBYAOEIMH-QGZVFWFLSA-N 2 1 314.433 2.227 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111021548 799834187 /nfs/dbraw/zinc/83/41/87/799834187.db2.gz YFNDRUGEMQPEQM-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021548 799834190 /nfs/dbraw/zinc/83/41/90/799834190.db2.gz YFNDRUGEMQPEQM-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021548 799834194 /nfs/dbraw/zinc/83/41/94/799834194.db2.gz YFNDRUGEMQPEQM-HZMVEIRTSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028519 799837598 /nfs/dbraw/zinc/83/75/98/799837598.db2.gz CPOAPSQTYYPASB-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028519 799837603 /nfs/dbraw/zinc/83/76/03/799837603.db2.gz CPOAPSQTYYPASB-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028519 799837610 /nfs/dbraw/zinc/83/76/10/799837610.db2.gz CPOAPSQTYYPASB-OAGGEKHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203578224 800084435 /nfs/dbraw/zinc/08/44/35/800084435.db2.gz VSBGYCBLABGBDI-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612962 800138561 /nfs/dbraw/zinc/13/85/61/800138561.db2.gz UTOMPAONESDURV-IBGZPJMESA-N 2 1 315.461 2.439 20 30 DEEDMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612962 800138567 /nfs/dbraw/zinc/13/85/67/800138567.db2.gz UTOMPAONESDURV-IBGZPJMESA-N 2 1 315.461 2.439 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221878 800321902 /nfs/dbraw/zinc/32/19/02/800321902.db2.gz XPKIDASEILJAFM-GOSISDBHSA-N 2 1 304.434 2.317 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469657 800361629 /nfs/dbraw/zinc/36/16/29/800361629.db2.gz QURSHPUFNPOIAF-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1ccc2c(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781308 800418603 /nfs/dbraw/zinc/41/86/03/800418603.db2.gz VWDDORRSUCLQRZ-CYBMUJFWSA-N 2 1 304.344 2.455 20 30 DEEDMP N#Cc1ccc2c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c[nH]c2c1 ZINC001205781308 800418609 /nfs/dbraw/zinc/41/86/09/800418609.db2.gz VWDDORRSUCLQRZ-CYBMUJFWSA-N 2 1 304.344 2.455 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208358783 800965885 /nfs/dbraw/zinc/96/58/85/800965885.db2.gz NFZHCQQOFNOJBD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001209262363 801160777 /nfs/dbraw/zinc/16/07/77/801160777.db2.gz UGOHJNRQKWDTFN-UHFFFAOYSA-N 2 1 306.450 2.139 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210134673 801338610 /nfs/dbraw/zinc/33/86/10/801338610.db2.gz XWYFSYMWIJPXFJ-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP N#Cc1nc(Cl)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262092 801360572 /nfs/dbraw/zinc/36/05/72/801360572.db2.gz RCTLRNAZIKZOBI-UHFFFAOYSA-N 2 1 314.780 2.155 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334039 801389465 /nfs/dbraw/zinc/38/94/65/801389465.db2.gz DJIWPMGRLCSHDF-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584671 801426162 /nfs/dbraw/zinc/42/61/62/801426162.db2.gz JPNNCPPYMVUDTH-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090248 801510689 /nfs/dbraw/zinc/51/06/89/801510689.db2.gz ILMYQBXFMJTYNB-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845476 801765485 /nfs/dbraw/zinc/76/54/85/801765485.db2.gz VWHUXMRBNKKCOW-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214856144 801767402 /nfs/dbraw/zinc/76/74/02/801767402.db2.gz XGVZZVXAJOVZDI-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265713 802336974 /nfs/dbraw/zinc/33/69/74/802336974.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265713 802336983 /nfs/dbraw/zinc/33/69/83/802336983.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265713 802336994 /nfs/dbraw/zinc/33/69/94/802336994.db2.gz KYYUBBWSWZHPPQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692968 802603334 /nfs/dbraw/zinc/60/33/34/802603334.db2.gz VHXGXOARDBLARA-DJIMGWMZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692968 802603339 /nfs/dbraw/zinc/60/33/39/802603339.db2.gz VHXGXOARDBLARA-DJIMGWMZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500930 802796484 /nfs/dbraw/zinc/79/64/84/802796484.db2.gz ZIAKJRBCTUWZRV-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500930 802796490 /nfs/dbraw/zinc/79/64/90/802796490.db2.gz ZIAKJRBCTUWZRV-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001223500930 802796495 /nfs/dbraw/zinc/79/64/95/802796495.db2.gz ZIAKJRBCTUWZRV-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522017 802796866 /nfs/dbraw/zinc/79/68/66/802796866.db2.gz LKEYXBHFEBRAIW-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001225653428 802997394 /nfs/dbraw/zinc/99/73/94/802997394.db2.gz VVFJYUVZAJUQNW-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225653428 802997399 /nfs/dbraw/zinc/99/73/99/802997399.db2.gz VVFJYUVZAJUQNW-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228647541 803386974 /nfs/dbraw/zinc/38/69/74/803386974.db2.gz VTPFQDQLCZTARR-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001500162771 1058535469 /nfs/dbraw/zinc/53/54/69/1058535469.db2.gz RDPHZAGTNXVQCT-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001500163264 1058536340 /nfs/dbraw/zinc/53/63/40/1058536340.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500163264 1058536355 /nfs/dbraw/zinc/53/63/55/1058536355.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500163264 1058536370 /nfs/dbraw/zinc/53/63/70/1058536370.db2.gz UOFXGAUVXHCHPQ-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001500197023 1058578224 /nfs/dbraw/zinc/57/82/24/1058578224.db2.gz FWBFNSPMCXCXCW-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001500197023 1058578241 /nfs/dbraw/zinc/57/82/41/1058578241.db2.gz FWBFNSPMCXCXCW-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001500197023 1058578261 /nfs/dbraw/zinc/57/82/61/1058578261.db2.gz FWBFNSPMCXCXCW-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001500466006 1058809211 /nfs/dbraw/zinc/80/92/11/1058809211.db2.gz PDABGOCZZRAZCZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001467728271 1059694360 /nfs/dbraw/zinc/69/43/60/1059694360.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001467728271 1059694368 /nfs/dbraw/zinc/69/43/68/1059694368.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001467728271 1059694376 /nfs/dbraw/zinc/69/43/76/1059694376.db2.gz CNDOIZIWVZKOQG-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001467728272 1059695005 /nfs/dbraw/zinc/69/50/05/1059695005.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001467728272 1059695021 /nfs/dbraw/zinc/69/50/21/1059695021.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001467728272 1059695032 /nfs/dbraw/zinc/69/50/32/1059695032.db2.gz CNDOIZIWVZKOQG-QGZVFWFLSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532103 1060166648 /nfs/dbraw/zinc/16/66/48/1060166648.db2.gz JZYRNIXBOVTZDD-SFHVURJKSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)CCC)cc2C1 ZINC001502652774 1060218371 /nfs/dbraw/zinc/21/83/71/1060218371.db2.gz FRYWZLPXLZMSLN-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)CCC)cc2C1 ZINC001502652774 1060218385 /nfs/dbraw/zinc/21/83/85/1060218385.db2.gz FRYWZLPXLZMSLN-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)CCC)cc2C1 ZINC001502652774 1060218402 /nfs/dbraw/zinc/21/84/02/1060218402.db2.gz FRYWZLPXLZMSLN-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)CCC)cc2C1 ZINC001502652774 1060218421 /nfs/dbraw/zinc/21/84/21/1060218421.db2.gz FRYWZLPXLZMSLN-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001505399386 1060531594 /nfs/dbraw/zinc/53/15/94/1060531594.db2.gz JZOTVORXVAHFRR-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001505411271 1060546764 /nfs/dbraw/zinc/54/67/64/1060546764.db2.gz JDRCIMYAMQGQSL-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474552454 1060891784 /nfs/dbraw/zinc/89/17/84/1060891784.db2.gz KJSVZKDSAIEVPG-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474552454 1060891791 /nfs/dbraw/zinc/89/17/91/1060891791.db2.gz KJSVZKDSAIEVPG-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552454 1060891799 /nfs/dbraw/zinc/89/17/99/1060891799.db2.gz KJSVZKDSAIEVPG-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552454 1060891808 /nfs/dbraw/zinc/89/18/08/1060891808.db2.gz KJSVZKDSAIEVPG-ICSRJNTNSA-N 2 1 313.489 2.442 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479486865 1061473932 /nfs/dbraw/zinc/47/39/32/1061473932.db2.gz LZVASKBAVLOSIM-GVDBMIGSSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001479579105 1061509582 /nfs/dbraw/zinc/50/95/82/1061509582.db2.gz SRPQKGXAPRDLOG-HIFRSBDPSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001479642037 1061554503 /nfs/dbraw/zinc/55/45/03/1061554503.db2.gz YDBAUZFJNPXEKO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001479642037 1061554518 /nfs/dbraw/zinc/55/45/18/1061554518.db2.gz YDBAUZFJNPXEKO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1CC ZINC001479642037 1061554529 /nfs/dbraw/zinc/55/45/29/1061554529.db2.gz YDBAUZFJNPXEKO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001479688055 1061603389 /nfs/dbraw/zinc/60/33/89/1061603389.db2.gz OMKOBBGPRGUHGA-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479690296 1061603442 /nfs/dbraw/zinc/60/34/42/1061603442.db2.gz ZWLKVGBOOUKCKI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479736714 1061663864 /nfs/dbraw/zinc/66/38/64/1061663864.db2.gz PXANUTTXHWEALQ-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479736714 1061663874 /nfs/dbraw/zinc/66/38/74/1061663874.db2.gz PXANUTTXHWEALQ-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001479778302 1061739811 /nfs/dbraw/zinc/73/98/11/1061739811.db2.gz SAXNIWMMRWPIJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001479778302 1061739826 /nfs/dbraw/zinc/73/98/26/1061739826.db2.gz SAXNIWMMRWPIJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001479778302 1061739844 /nfs/dbraw/zinc/73/98/44/1061739844.db2.gz SAXNIWMMRWPIJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001480051604 1062245214 /nfs/dbraw/zinc/24/52/14/1062245214.db2.gz SQYWTLLMTWMZBP-IRXDYDNUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480333086 1062669042 /nfs/dbraw/zinc/66/90/42/1062669042.db2.gz QMOKPBNLSCTXKD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480333086 1062669046 /nfs/dbraw/zinc/66/90/46/1062669046.db2.gz QMOKPBNLSCTXKD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480333086 1062669052 /nfs/dbraw/zinc/66/90/52/1062669052.db2.gz QMOKPBNLSCTXKD-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507016322 1062678877 /nfs/dbraw/zinc/67/88/77/1062678877.db2.gz WQXOJOJSVCDMOS-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001507324599 1063098622 /nfs/dbraw/zinc/09/86/22/1063098622.db2.gz KSNJZIDNHDYZQG-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480621899 1063114558 /nfs/dbraw/zinc/11/45/58/1063114558.db2.gz CLQBFJPOIOZIOC-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001507969311 1063483413 /nfs/dbraw/zinc/48/34/13/1063483413.db2.gz GIZQGDFPWMNOHV-IAGOWNOFSA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001493858259 1063996292 /nfs/dbraw/zinc/99/62/92/1063996292.db2.gz BAULZUHUDKHYHQ-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001494178233 1064160057 /nfs/dbraw/zinc/16/00/57/1064160057.db2.gz HSSGBWGRSJEBRI-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001494210226 1064174815 /nfs/dbraw/zinc/17/48/15/1064174815.db2.gz DJLFJDNVOQAYFD-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001494210226 1064174819 /nfs/dbraw/zinc/17/48/19/1064174819.db2.gz DJLFJDNVOQAYFD-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001494210226 1064174822 /nfs/dbraw/zinc/17/48/22/1064174822.db2.gz DJLFJDNVOQAYFD-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567406030 1064185804 /nfs/dbraw/zinc/18/58/04/1064185804.db2.gz NCBMDBADIBLSFQ-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001567442194 1064200875 /nfs/dbraw/zinc/20/08/75/1064200875.db2.gz GQQMHCRQAOARRY-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001567442194 1064200881 /nfs/dbraw/zinc/20/08/81/1064200881.db2.gz GQQMHCRQAOARRY-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867333 1064529068 /nfs/dbraw/zinc/52/90/68/1064529068.db2.gz DYSHEVFWCRYJTO-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001494867333 1064529082 /nfs/dbraw/zinc/52/90/82/1064529082.db2.gz DYSHEVFWCRYJTO-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568387353 1064829450 /nfs/dbraw/zinc/82/94/50/1064829450.db2.gz VBWNNFBYKRFQSC-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001569234740 1065384313 /nfs/dbraw/zinc/38/43/13/1065384313.db2.gz WWISVHGORBQTSU-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001569558403 1065591470 /nfs/dbraw/zinc/59/14/70/1065591470.db2.gz MDBKPEAYYRFPHG-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569672286 1065663777 /nfs/dbraw/zinc/66/37/77/1065663777.db2.gz FOQIPYBLEPNVMP-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001570449584 1066076675 /nfs/dbraw/zinc/07/66/75/1066076675.db2.gz RNAWFJCAOLMOJT-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001570448644 1066076906 /nfs/dbraw/zinc/07/69/06/1066076906.db2.gz GKLGKIZKEWZJGZ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284007 1066614218 /nfs/dbraw/zinc/61/42/18/1066614218.db2.gz RMNYWHICCCYCFM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498284007 1066614227 /nfs/dbraw/zinc/61/42/27/1066614227.db2.gz RMNYWHICCCYCFM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498284007 1066614232 /nfs/dbraw/zinc/61/42/32/1066614232.db2.gz RMNYWHICCCYCFM-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001498301466 1066623768 /nfs/dbraw/zinc/62/37/68/1066623768.db2.gz NSSVBCCNQIXOSM-CYBMUJFWSA-N 2 1 309.479 2.436 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266984129 1078481037 /nfs/dbraw/zinc/48/10/37/1078481037.db2.gz VPDSRYHKSDISLF-RDJZCZTQSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499573402 1067263695 /nfs/dbraw/zinc/26/36/95/1067263695.db2.gz DEJZDGPDMJJJJG-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499614818 1067279926 /nfs/dbraw/zinc/27/99/26/1067279926.db2.gz TXJKBKPBRIUKBT-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267114900 1078592374 /nfs/dbraw/zinc/59/23/74/1078592374.db2.gz MXTNTSCGXOEQHT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267114900 1078592376 /nfs/dbraw/zinc/59/23/76/1078592376.db2.gz MXTNTSCGXOEQHT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267175904 1078640769 /nfs/dbraw/zinc/64/07/69/1078640769.db2.gz VQLIEJSOCGHQQF-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267175904 1078640772 /nfs/dbraw/zinc/64/07/72/1078640772.db2.gz VQLIEJSOCGHQQF-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001267175904 1078640775 /nfs/dbraw/zinc/64/07/75/1078640775.db2.gz VQLIEJSOCGHQQF-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001570822423 1068128855 /nfs/dbraw/zinc/12/88/55/1068128855.db2.gz CWFUGPUBHHZWBC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822423 1068128858 /nfs/dbraw/zinc/12/88/58/1068128858.db2.gz CWFUGPUBHHZWBC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822423 1068128861 /nfs/dbraw/zinc/12/88/61/1068128861.db2.gz CWFUGPUBHHZWBC-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267200501 1078660181 /nfs/dbraw/zinc/66/01/81/1078660181.db2.gz CSAOXTRZSYYHCD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267293330 1078739482 /nfs/dbraw/zinc/73/94/82/1078739482.db2.gz QKIMOHASDFMUPK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC=C(C)C)CCC)CC1 ZINC001267320508 1078763309 /nfs/dbraw/zinc/76/33/09/1078763309.db2.gz MPMUBMQYJVDCPU-UHFFFAOYSA-N 2 1 319.493 2.126 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCCCC)C1 ZINC001267536117 1078965642 /nfs/dbraw/zinc/96/56/42/1078965642.db2.gz MPKCQHBIDOEESX-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCCCC)C1 ZINC001267536117 1078965648 /nfs/dbraw/zinc/96/56/48/1078965648.db2.gz MPKCQHBIDOEESX-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCCC)C1 ZINC001267536117 1078965654 /nfs/dbraw/zinc/96/56/54/1078965654.db2.gz MPKCQHBIDOEESX-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCCC)C1 ZINC001267536117 1078965658 /nfs/dbraw/zinc/96/56/58/1078965658.db2.gz MPKCQHBIDOEESX-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568716 1079004251 /nfs/dbraw/zinc/00/42/51/1079004251.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267568716 1079004260 /nfs/dbraw/zinc/00/42/60/1079004260.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267568716 1079004273 /nfs/dbraw/zinc/00/42/73/1079004273.db2.gz XDAKXXYUEONHPT-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001649844054 1079257879 /nfs/dbraw/zinc/25/78/79/1079257879.db2.gz UAZKLQIXVYBCAM-INIZCTEOSA-N 2 1 314.433 2.351 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072408 1079286373 /nfs/dbraw/zinc/28/63/73/1079286373.db2.gz UZNBOMYGMZRCEU-GOSISDBHSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484176136 1079346366 /nfs/dbraw/zinc/34/63/66/1079346366.db2.gz WBHVZUYCKRWNTA-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001484176136 1079346372 /nfs/dbraw/zinc/34/63/72/1079346372.db2.gz WBHVZUYCKRWNTA-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001565828254 1075191233 /nfs/dbraw/zinc/19/12/33/1075191233.db2.gz LNTRPBKKRKAVQW-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942704 1075208772 /nfs/dbraw/zinc/20/87/72/1075208772.db2.gz DKHPPYNCNBJXOC-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267690168 1079376386 /nfs/dbraw/zinc/37/63/86/1079376386.db2.gz XXTAUBBSAQCLPW-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267790348 1079496619 /nfs/dbraw/zinc/49/66/19/1079496619.db2.gz MGPPYERITHVLCY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267831343 1079521721 /nfs/dbraw/zinc/52/17/21/1079521721.db2.gz PJGKOBNMSLRBHM-IRXDYDNUSA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267932944 1079614512 /nfs/dbraw/zinc/61/45/12/1079614512.db2.gz XHCVSUWHFOGKQQ-QAETUUGQSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481492857 1079950927 /nfs/dbraw/zinc/95/09/27/1079950927.db2.gz YYIMKIALFXHAEU-INIZCTEOSA-N 2 1 324.428 2.060 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481520493 1079992437 /nfs/dbraw/zinc/99/24/37/1079992437.db2.gz SAQIHVGOFMHBCN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481535582 1080018810 /nfs/dbraw/zinc/01/88/10/1080018810.db2.gz ZQENCVSUPAOJRY-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485231846 1080078469 /nfs/dbraw/zinc/07/84/69/1080078469.db2.gz LDGNIHCCVYJJOZ-CABCVRRESA-N 2 1 323.868 2.354 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485231846 1080078478 /nfs/dbraw/zinc/07/84/78/1080078478.db2.gz LDGNIHCCVYJJOZ-CABCVRRESA-N 2 1 323.868 2.354 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268154794 1080128414 /nfs/dbraw/zinc/12/84/14/1080128414.db2.gz DMZFMKNHGRRRRY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656909919 1080137989 /nfs/dbraw/zinc/13/79/89/1080137989.db2.gz SOIHSQYVGVFMFQ-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268164636 1080146729 /nfs/dbraw/zinc/14/67/29/1080146729.db2.gz YBSNAZCBMFTLPF-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001268201592 1080187022 /nfs/dbraw/zinc/18/70/22/1080187022.db2.gz STZLEZBMGMWDHK-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001268201592 1080187025 /nfs/dbraw/zinc/18/70/25/1080187025.db2.gz STZLEZBMGMWDHK-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268252117 1080232726 /nfs/dbraw/zinc/23/27/26/1080232726.db2.gz PAEOEHLOBYMGRG-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001485524908 1080282270 /nfs/dbraw/zinc/28/22/70/1080282270.db2.gz CAZLQLBUPGPDNX-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001660475383 1080336698 /nfs/dbraw/zinc/33/66/98/1080336698.db2.gz MMSLNRRLWQUTES-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661034385 1080431829 /nfs/dbraw/zinc/43/18/29/1080431829.db2.gz DXDBCDLQVHCHFK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661034385 1080431831 /nfs/dbraw/zinc/43/18/31/1080431831.db2.gz DXDBCDLQVHCHFK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034385 1080431833 /nfs/dbraw/zinc/43/18/33/1080431833.db2.gz DXDBCDLQVHCHFK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034385 1080431834 /nfs/dbraw/zinc/43/18/34/1080431834.db2.gz DXDBCDLQVHCHFK-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547761 1080483074 /nfs/dbraw/zinc/48/30/74/1080483074.db2.gz KSKWGVDPSIDTMB-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980800 1080490338 /nfs/dbraw/zinc/49/03/38/1080490338.db2.gz BEMYXHPWAOBMTE-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001662113455 1080570122 /nfs/dbraw/zinc/57/01/22/1080570122.db2.gz OPSKTJGTTOKTHN-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001662219144 1080585527 /nfs/dbraw/zinc/58/55/27/1080585527.db2.gz CADUXNOVERIFPI-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662690650 1080634491 /nfs/dbraw/zinc/63/44/91/1080634491.db2.gz JDBGCINLUQAZSI-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329008 1080731757 /nfs/dbraw/zinc/73/17/57/1080731757.db2.gz FBHQZFWLYQEJKD-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329008 1080731763 /nfs/dbraw/zinc/73/17/63/1080731763.db2.gz FBHQZFWLYQEJKD-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329008 1080731768 /nfs/dbraw/zinc/73/17/68/1080731768.db2.gz FBHQZFWLYQEJKD-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268539425 1080733880 /nfs/dbraw/zinc/73/38/80/1080733880.db2.gz SYGNTUBBZMPJQS-MWWKQMNYSA-N 2 1 305.466 2.089 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001663498115 1080757878 /nfs/dbraw/zinc/75/78/78/1080757878.db2.gz OMTSBVGPHCCUKQ-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001663498115 1080757884 /nfs/dbraw/zinc/75/78/84/1080757884.db2.gz OMTSBVGPHCCUKQ-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(CC)CC ZINC001482058909 1080762994 /nfs/dbraw/zinc/76/29/94/1080762994.db2.gz OSPRQJIAGFTFSP-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(CC)CC ZINC001482058909 1080763001 /nfs/dbraw/zinc/76/30/01/1080763001.db2.gz OSPRQJIAGFTFSP-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001663536455 1080770651 /nfs/dbraw/zinc/77/06/51/1080770651.db2.gz BNPCVFIGXXRRFT-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001663536455 1080770662 /nfs/dbraw/zinc/77/06/62/1080770662.db2.gz BNPCVFIGXXRRFT-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001666055439 1081117264 /nfs/dbraw/zinc/11/72/64/1081117264.db2.gz JWZRDZVIWDBUMD-CRAIPNDOSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)CC(C)C ZINC001667093149 1081211044 /nfs/dbraw/zinc/21/10/44/1081211044.db2.gz RWNKJSCIEFZEQO-ROUUACIJSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C(C)C)CC(C)C ZINC001667093149 1081211046 /nfs/dbraw/zinc/21/10/46/1081211046.db2.gz RWNKJSCIEFZEQO-ROUUACIJSA-N 2 1 319.493 2.171 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001667279090 1081232976 /nfs/dbraw/zinc/23/29/76/1081232976.db2.gz KWEHMTFSCYFUJY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001667426012 1081250319 /nfs/dbraw/zinc/25/03/19/1081250319.db2.gz FNAGZJVUPWXWKA-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001667426012 1081250322 /nfs/dbraw/zinc/25/03/22/1081250322.db2.gz FNAGZJVUPWXWKA-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001667426012 1081250327 /nfs/dbraw/zinc/25/03/27/1081250327.db2.gz FNAGZJVUPWXWKA-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744372 1081352850 /nfs/dbraw/zinc/35/28/50/1081352850.db2.gz CHMOYOFPTAHPPQ-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001270293098 1081495373 /nfs/dbraw/zinc/49/53/73/1081495373.db2.gz GFRQJQOIUVEBDU-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001671530186 1081521569 /nfs/dbraw/zinc/52/15/69/1081521569.db2.gz HFXFUBRGLHJZTA-OIISXLGYSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001671660317 1081530517 /nfs/dbraw/zinc/53/05/17/1081530517.db2.gz RNIHWAKSZURDBN-LJQANCHMSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001671660317 1081530520 /nfs/dbraw/zinc/53/05/20/1081530520.db2.gz RNIHWAKSZURDBN-LJQANCHMSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496167 1081776771 /nfs/dbraw/zinc/77/67/71/1081776771.db2.gz HXHOKUJMRFQWGS-DLBZAZTESA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001673650998 1081789234 /nfs/dbraw/zinc/78/92/34/1081789234.db2.gz QAUYBUMWFWCWND-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673650998 1081789242 /nfs/dbraw/zinc/78/92/42/1081789242.db2.gz QAUYBUMWFWCWND-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673650998 1081789249 /nfs/dbraw/zinc/78/92/49/1081789249.db2.gz QAUYBUMWFWCWND-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001673878145 1081807145 /nfs/dbraw/zinc/80/71/45/1081807145.db2.gz NIWQNMGNYFCNDH-WBVHZDCISA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001270991915 1081866559 /nfs/dbraw/zinc/86/65/59/1081866559.db2.gz QWOVWKWLSNRIDS-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001270991914 1081867297 /nfs/dbraw/zinc/86/72/97/1081867297.db2.gz QWOVWKWLSNRIDS-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001266377030 1082007956 /nfs/dbraw/zinc/00/79/56/1082007956.db2.gz NHINCXISLBGFKE-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001271717915 1082118460 /nfs/dbraw/zinc/11/84/60/1082118460.db2.gz YAYOTEAQWGSENJ-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266573345 1082167212 /nfs/dbraw/zinc/16/72/12/1082167212.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266573345 1082167218 /nfs/dbraw/zinc/16/72/18/1082167218.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266573345 1082167224 /nfs/dbraw/zinc/16/72/24/1082167224.db2.gz QPGHOQSWAILBQM-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001671599516 1082248916 /nfs/dbraw/zinc/24/89/16/1082248916.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001671599516 1082248922 /nfs/dbraw/zinc/24/89/22/1082248922.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001671599516 1082248929 /nfs/dbraw/zinc/24/89/29/1082248929.db2.gz XTKRVYRGKHUXQB-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482681579 1082475743 /nfs/dbraw/zinc/47/57/43/1082475743.db2.gz JWTHMDTXFQTTOB-RDJZCZTQSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001482954844 1082576430 /nfs/dbraw/zinc/57/64/30/1082576430.db2.gz QMBHMWOTAQTLRI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001276906284 1083673121 /nfs/dbraw/zinc/67/31/21/1083673121.db2.gz NXLKZECKGKCIGY-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001276906284 1083673126 /nfs/dbraw/zinc/67/31/26/1083673126.db2.gz NXLKZECKGKCIGY-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001276906284 1083673132 /nfs/dbraw/zinc/67/31/32/1083673132.db2.gz NXLKZECKGKCIGY-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC001277064900 1083757471 /nfs/dbraw/zinc/75/74/71/1083757471.db2.gz QZVAYZAZGZOAAD-OALUTQOASA-N 2 1 321.428 2.453 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277447806 1083975450 /nfs/dbraw/zinc/97/54/50/1083975450.db2.gz QZEMNJHPVNCYJI-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP Cn1cc(C[N@H+]2C[C@@H]3CCN(c4cc[nH+]cc4)[C@@H]3C2)cc1C#N ZINC001277693962 1084097973 /nfs/dbraw/zinc/09/79/73/1084097973.db2.gz NTJAGVDVOTXBSY-MAUKXSAKSA-N 2 1 307.401 2.002 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237192 1084174809 /nfs/dbraw/zinc/17/48/09/1084174809.db2.gz RIGCUBIPMUYMCB-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCN(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(=O)OCC ZINC001235425463 1084426660 /nfs/dbraw/zinc/42/66/60/1084426660.db2.gz LHQGLVJNHZQJPV-DLBZAZTESA-N 2 1 323.481 2.343 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512791 1084452146 /nfs/dbraw/zinc/45/21/46/1084452146.db2.gz KMJKZZPCDQZXKO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512791 1084452151 /nfs/dbraw/zinc/45/21/51/1084452151.db2.gz KMJKZZPCDQZXKO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512791 1084452157 /nfs/dbraw/zinc/45/21/57/1084452157.db2.gz KMJKZZPCDQZXKO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236023449 1084591926 /nfs/dbraw/zinc/59/19/26/1084591926.db2.gz QFGNUEMYJBTFPF-HPFXQQBRSA-N 2 1 306.450 2.063 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001486175676 1085105721 /nfs/dbraw/zinc/10/57/21/1085105721.db2.gz GDRDXKXDAYCQJG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001486175676 1085105724 /nfs/dbraw/zinc/10/57/24/1085105724.db2.gz GDRDXKXDAYCQJG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001486175676 1085105728 /nfs/dbraw/zinc/10/57/28/1085105728.db2.gz GDRDXKXDAYCQJG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC001486233228 1085155236 /nfs/dbraw/zinc/15/52/36/1085155236.db2.gz HGPIIRIBEBELOD-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000964034595 1085155303 /nfs/dbraw/zinc/15/53/03/1085155303.db2.gz KSXOYAFVPKLRRI-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000960255521 1085166366 /nfs/dbraw/zinc/16/63/66/1085166366.db2.gz PYBIPLCUSONTIN-KZNAEPCWSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000964437232 1085227459 /nfs/dbraw/zinc/22/74/59/1085227459.db2.gz NVSAPWIKOUDJIF-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486409479 1085280365 /nfs/dbraw/zinc/28/03/65/1085280365.db2.gz HQKBPKIUFUTPTO-HNNXBMFYSA-N 2 1 309.498 2.108 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001486520240 1085402593 /nfs/dbraw/zinc/40/25/93/1085402593.db2.gz IVSQNRGLCBIPIR-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486520240 1085402597 /nfs/dbraw/zinc/40/25/97/1085402597.db2.gz IVSQNRGLCBIPIR-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486520240 1085402599 /nfs/dbraw/zinc/40/25/99/1085402599.db2.gz IVSQNRGLCBIPIR-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCC1 ZINC001273130095 1086296865 /nfs/dbraw/zinc/29/68/65/1086296865.db2.gz YYMZOIAESIAKTA-UHFFFAOYSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001671060167 1086361706 /nfs/dbraw/zinc/36/17/06/1086361706.db2.gz XDZZTFUEJBDCSG-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963927310 1086600020 /nfs/dbraw/zinc/60/00/20/1086600020.db2.gz RFLQSEQYGNWWTK-LMBQMVEXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957278427 1088139675 /nfs/dbraw/zinc/13/96/75/1088139675.db2.gz JPRAAKJKNWQIGM-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619483 1089336216 /nfs/dbraw/zinc/33/62/16/1089336216.db2.gz XDUXMLWPRDRQRS-FVQHAEBGSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308692 /nfs/dbraw/zinc/30/86/92/1090308692.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308703 /nfs/dbraw/zinc/30/87/03/1090308703.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476379 1090308709 /nfs/dbraw/zinc/30/87/09/1090308709.db2.gz WAORNWKAMTXAKG-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853235 1090476793 /nfs/dbraw/zinc/47/67/93/1090476793.db2.gz YBRVBNYZNRJRIG-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084957969 1090546603 /nfs/dbraw/zinc/54/66/03/1090546603.db2.gz HDLAKLGSWLQYFQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957969 1090546605 /nfs/dbraw/zinc/54/66/05/1090546605.db2.gz HDLAKLGSWLQYFQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084957969 1090546608 /nfs/dbraw/zinc/54/66/08/1090546608.db2.gz HDLAKLGSWLQYFQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963442 1090547229 /nfs/dbraw/zinc/54/72/29/1090547229.db2.gz VHHUBUDXRHUVEP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963442 1090547232 /nfs/dbraw/zinc/54/72/32/1090547232.db2.gz VHHUBUDXRHUVEP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963442 1090547235 /nfs/dbraw/zinc/54/72/35/1090547235.db2.gz VHHUBUDXRHUVEP-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001274344981 1091195369 /nfs/dbraw/zinc/19/53/69/1091195369.db2.gz KKPNFCCSGYDEMI-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276042035 1091472207 /nfs/dbraw/zinc/47/22/07/1091472207.db2.gz UWANFXHKOICPRS-MSOLQXFVSA-N 2 1 309.498 2.070 20 30 DEEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001276146728 1091597321 /nfs/dbraw/zinc/59/73/21/1091597321.db2.gz JAWABXBEIYLURJ-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775637 1091929094 /nfs/dbraw/zinc/92/90/94/1091929094.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775637 1091929099 /nfs/dbraw/zinc/92/90/99/1091929099.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775637 1091929106 /nfs/dbraw/zinc/92/91/06/1091929106.db2.gz NOTPFKBURTZYLV-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833293 1091962800 /nfs/dbraw/zinc/96/28/00/1091962800.db2.gz PBQGUEXXDGUEFV-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488689263 1092688520 /nfs/dbraw/zinc/68/85/20/1092688520.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001488689263 1092688522 /nfs/dbraw/zinc/68/85/22/1092688522.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001488689263 1092688526 /nfs/dbraw/zinc/68/85/26/1092688526.db2.gz KVZZWQBIVMJJDT-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001488993087 1092871616 /nfs/dbraw/zinc/87/16/16/1092871616.db2.gz VXVXOPSTKMTYJP-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001495320218 1093159653 /nfs/dbraw/zinc/15/96/53/1093159653.db2.gz JOSUHCSDIJESOL-APWZRJJASA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001490803299 1093610033 /nfs/dbraw/zinc/61/00/33/1093610033.db2.gz DCTSLPBAFTWQRZ-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001490803299 1093610038 /nfs/dbraw/zinc/61/00/38/1093610038.db2.gz DCTSLPBAFTWQRZ-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001490803299 1093610044 /nfs/dbraw/zinc/61/00/44/1093610044.db2.gz DCTSLPBAFTWQRZ-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001297373532 1139864327 /nfs/dbraw/zinc/86/43/27/1139864327.db2.gz XFIHGFUYYBDDKB-UHFFFAOYSA-N 2 1 317.477 2.371 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001318483668 1140345584 /nfs/dbraw/zinc/34/55/84/1140345584.db2.gz GPGUFQVRBQJNKB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318483668 1140345593 /nfs/dbraw/zinc/34/55/93/1140345593.db2.gz GPGUFQVRBQJNKB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318483668 1140345602 /nfs/dbraw/zinc/34/56/02/1140345602.db2.gz GPGUFQVRBQJNKB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319617420 1140625713 /nfs/dbraw/zinc/62/57/13/1140625713.db2.gz BLSSTUGLASPNIF-FUHWJXTLSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001319693332 1140665460 /nfs/dbraw/zinc/66/54/60/1140665460.db2.gz BPQFVBIJBXWIGP-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001319918472 1140803523 /nfs/dbraw/zinc/80/35/23/1140803523.db2.gz PJPKSAXGSQYFPK-SJORKVTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001278432662 1140864640 /nfs/dbraw/zinc/86/46/40/1140864640.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001278432662 1140864641 /nfs/dbraw/zinc/86/46/41/1140864641.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001278432662 1140864643 /nfs/dbraw/zinc/86/46/43/1140864643.db2.gz GSJLJRIOXITBJO-WMLDXEAASA-N 2 1 304.438 2.135 20 30 DEEDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(CC#N)CC1 ZINC001246244829 1140876822 /nfs/dbraw/zinc/87/68/22/1140876822.db2.gz RNLDJGBEZSKQPX-NRXISQOPSA-N 2 1 309.454 2.498 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278449692 1140915519 /nfs/dbraw/zinc/91/55/19/1140915519.db2.gz HAZSONCIHCYFSA-GOSISDBHSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@H]2CC ZINC001246705580 1141039287 /nfs/dbraw/zinc/03/92/87/1141039287.db2.gz NFJPCHIROFAOII-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@H]2CC ZINC001246705580 1141039297 /nfs/dbraw/zinc/03/92/97/1141039297.db2.gz NFJPCHIROFAOII-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246719894 1141043787 /nfs/dbraw/zinc/04/37/87/1141043787.db2.gz HMXUCLXOFYRCTE-WNRNVDISSA-N 2 1 308.466 2.201 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001321652278 1141322218 /nfs/dbraw/zinc/32/22/18/1141322218.db2.gz GKMYCUWHIGJBIV-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322347447 1141535984 /nfs/dbraw/zinc/53/59/84/1141535984.db2.gz SRLSXKXQMXDYGX-IRXDYDNUSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001322662321 1141671147 /nfs/dbraw/zinc/67/11/47/1141671147.db2.gz OCVHFHZKSGOYRD-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC)CC1 ZINC001324397177 1142068847 /nfs/dbraw/zinc/06/88/47/1142068847.db2.gz VPLXPZHMZDFPFN-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)C(C)(C)C1 ZINC001278651429 1142661617 /nfs/dbraw/zinc/66/16/17/1142661617.db2.gz OHAZLNKVWXYSMS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)C(C)(C)C1 ZINC001278651429 1142661629 /nfs/dbraw/zinc/66/16/29/1142661629.db2.gz OHAZLNKVWXYSMS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001340882342 1143481017 /nfs/dbraw/zinc/48/10/17/1143481017.db2.gz XTAYWBDDYOJBGR-SZMVWBNQSA-N 2 1 315.461 2.449 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264446595 1144541798 /nfs/dbraw/zinc/54/17/98/1144541798.db2.gz DSZNKGGEMNVZLA-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001264464282 1144543850 /nfs/dbraw/zinc/54/38/50/1144543850.db2.gz KPJYVTPVGUUDMM-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001264986584 1144619872 /nfs/dbraw/zinc/61/98/72/1144619872.db2.gz PYDFYLLDKGYGJW-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001264986584 1144619874 /nfs/dbraw/zinc/61/98/74/1144619874.db2.gz PYDFYLLDKGYGJW-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265306750 1144689351 /nfs/dbraw/zinc/68/93/51/1144689351.db2.gz WSFYHHDQBUVQAP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306750 1144689353 /nfs/dbraw/zinc/68/93/53/1144689353.db2.gz WSFYHHDQBUVQAP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306750 1144689355 /nfs/dbraw/zinc/68/93/55/1144689355.db2.gz WSFYHHDQBUVQAP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001265390808 1144701714 /nfs/dbraw/zinc/70/17/14/1144701714.db2.gz OBBONSHDBHECMF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001265390808 1144701716 /nfs/dbraw/zinc/70/17/16/1144701716.db2.gz OBBONSHDBHECMF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001265390808 1144701718 /nfs/dbraw/zinc/70/17/18/1144701718.db2.gz OBBONSHDBHECMF-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001265396923 1144702028 /nfs/dbraw/zinc/70/20/28/1144702028.db2.gz NUWXQXGCNBUXMH-OAHLLOKOSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001265461189 1144705289 /nfs/dbraw/zinc/70/52/89/1144705289.db2.gz KOHKRIQVGJBBHD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001265461189 1144705290 /nfs/dbraw/zinc/70/52/90/1144705290.db2.gz KOHKRIQVGJBBHD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001265459941 1144705337 /nfs/dbraw/zinc/70/53/37/1144705337.db2.gz RSDDJWPKUFHIIS-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001265785725 1144741064 /nfs/dbraw/zinc/74/10/64/1144741064.db2.gz GVTOAHQLZFTBPE-AEFFLSMTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001265785725 1144741065 /nfs/dbraw/zinc/74/10/65/1144741065.db2.gz GVTOAHQLZFTBPE-AEFFLSMTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001266145550 1144809557 /nfs/dbraw/zinc/80/95/57/1144809557.db2.gz WZOYTOZYPSNPGB-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001266145550 1144809558 /nfs/dbraw/zinc/80/95/58/1144809558.db2.gz WZOYTOZYPSNPGB-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C1CC1 ZINC001266145550 1144809559 /nfs/dbraw/zinc/80/95/59/1144809559.db2.gz WZOYTOZYPSNPGB-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266219085 1144815497 /nfs/dbraw/zinc/81/54/97/1144815497.db2.gz VTWJBFVAYIWNLA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001266219085 1144815499 /nfs/dbraw/zinc/81/54/99/1144815499.db2.gz VTWJBFVAYIWNLA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001266219085 1144815500 /nfs/dbraw/zinc/81/55/00/1144815500.db2.gz VTWJBFVAYIWNLA-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001266219138 1144815575 /nfs/dbraw/zinc/81/55/75/1144815575.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266219138 1144815576 /nfs/dbraw/zinc/81/55/76/1144815576.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001266219138 1144815577 /nfs/dbraw/zinc/81/55/77/1144815577.db2.gz WEFHKVKMOPMVFZ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266240795 1144818217 /nfs/dbraw/zinc/81/82/17/1144818217.db2.gz CSOSVFIHKJQQAZ-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001279564741 1144824665 /nfs/dbraw/zinc/82/46/65/1144824665.db2.gz IHMXTDYGGUMIIS-GOSISDBHSA-N 2 1 317.477 2.043 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279567202 1144824701 /nfs/dbraw/zinc/82/47/01/1144824701.db2.gz WMLZZGJEIBRZHA-BRWVUGGUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001280427197 1144839113 /nfs/dbraw/zinc/83/91/13/1144839113.db2.gz VXFKDMXOBKDVKO-GOSISDBHSA-N 2 1 315.461 2.187 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316610964 1144890010 /nfs/dbraw/zinc/89/00/10/1144890010.db2.gz NFJKHTRIKLODQA-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316610964 1144890011 /nfs/dbraw/zinc/89/00/11/1144890011.db2.gz NFJKHTRIKLODQA-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281684656 1144907414 /nfs/dbraw/zinc/90/74/14/1144907414.db2.gz VDELDPLJAUJMPC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951265 1144922921 /nfs/dbraw/zinc/92/29/21/1144922921.db2.gz YUXJYOBCDZLYKI-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001281951265 1144922922 /nfs/dbraw/zinc/92/29/22/1144922922.db2.gz YUXJYOBCDZLYKI-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810511 1145168611 /nfs/dbraw/zinc/16/86/11/1145168611.db2.gz JQZFBCXYFAQSFG-GJZGRUSLSA-N 2 1 313.461 2.069 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001283307344 1145354886 /nfs/dbraw/zinc/35/48/86/1145354886.db2.gz NBRLKRJPQSHZMU-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658726 1145416846 /nfs/dbraw/zinc/41/68/46/1145416846.db2.gz MJHXEMOWILEUKJ-PKOBYXMFSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001364658726 1145416852 /nfs/dbraw/zinc/41/68/52/1145416852.db2.gz MJHXEMOWILEUKJ-PKOBYXMFSA-N 2 1 313.445 2.399 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001284104938 1145800100 /nfs/dbraw/zinc/80/01/00/1145800100.db2.gz ZXIRSEKEZLFZOL-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H]1C ZINC001284130213 1145804698 /nfs/dbraw/zinc/80/46/98/1145804698.db2.gz GUCRGMQPMLTMDS-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H]1C ZINC001284130213 1145804700 /nfs/dbraw/zinc/80/47/00/1145804700.db2.gz GUCRGMQPMLTMDS-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H]1C ZINC001284130213 1145804701 /nfs/dbraw/zinc/80/47/01/1145804701.db2.gz GUCRGMQPMLTMDS-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001284699330 1145892077 /nfs/dbraw/zinc/89/20/77/1145892077.db2.gz DOPUKCLQJHEALP-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001492165542 1147108865 /nfs/dbraw/zinc/10/88/65/1147108865.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492165542 1147108870 /nfs/dbraw/zinc/10/88/70/1147108870.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492165542 1147108874 /nfs/dbraw/zinc/10/88/74/1147108874.db2.gz XAOGUOIOZSIFQW-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001316910526 1147572395 /nfs/dbraw/zinc/57/23/95/1147572395.db2.gz AACZAUWSQLPEPT-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001316910526 1147572396 /nfs/dbraw/zinc/57/23/96/1147572396.db2.gz AACZAUWSQLPEPT-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001316910526 1147572400 /nfs/dbraw/zinc/57/24/00/1147572400.db2.gz AACZAUWSQLPEPT-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994389 1147645682 /nfs/dbraw/zinc/64/56/82/1147645682.db2.gz HXZBBHKOQPIFEO-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316998235 1147646723 /nfs/dbraw/zinc/64/67/23/1147646723.db2.gz KLINSAUDLNSJFL-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317149502 1147666852 /nfs/dbraw/zinc/66/68/52/1147666852.db2.gz IYOUIPVOUKUZJU-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317171430 1147670479 /nfs/dbraw/zinc/67/04/79/1147670479.db2.gz AVHNEQTYBRWIFP-CVEARBPZSA-N 2 1 313.461 2.213 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204299 1147676060 /nfs/dbraw/zinc/67/60/60/1147676060.db2.gz MGFLFQWUKNYBHP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317367331 1147696888 /nfs/dbraw/zinc/69/68/88/1147696888.db2.gz ZRIGFPGDUJXFJZ-MSOLQXFVSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317367331 1147696889 /nfs/dbraw/zinc/69/68/89/1147696889.db2.gz ZRIGFPGDUJXFJZ-MSOLQXFVSA-N 2 1 315.461 2.321 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383911 1147700044 /nfs/dbraw/zinc/70/00/44/1147700044.db2.gz IPMIJACBIQZHFA-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001317701567 1147745466 /nfs/dbraw/zinc/74/54/66/1147745466.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 2 1 309.498 2.204 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001317701567 1147745468 /nfs/dbraw/zinc/74/54/68/1147745468.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 2 1 309.498 2.204 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001317701567 1147745469 /nfs/dbraw/zinc/74/54/69/1147745469.db2.gz CXNCNSKZORGZAV-UHFFFAOYSA-N 2 1 309.498 2.204 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769703 1147750677 /nfs/dbraw/zinc/75/06/77/1147750677.db2.gz IUHKXRRODSRRSY-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769703 1147750679 /nfs/dbraw/zinc/75/06/79/1147750679.db2.gz IUHKXRRODSRRSY-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325945284 1148022572 /nfs/dbraw/zinc/02/25/72/1148022572.db2.gz AQGANXACDGIDKI-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001325945284 1148022577 /nfs/dbraw/zinc/02/25/77/1148022577.db2.gz AQGANXACDGIDKI-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001325945284 1148022582 /nfs/dbraw/zinc/02/25/82/1148022582.db2.gz AQGANXACDGIDKI-WNRNVDISSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326271757 1148066725 /nfs/dbraw/zinc/06/67/25/1148066725.db2.gz CDKQCJGXQJRWCG-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241531 /nfs/dbraw/zinc/24/15/31/191241531.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241534 /nfs/dbraw/zinc/24/15/34/191241534.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072859274 191241537 /nfs/dbraw/zinc/24/15/37/191241537.db2.gz OTJOAHIFQXQDHO-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CNC(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)=[NH+]C ZINC000060169133 354609213 /nfs/dbraw/zinc/60/92/13/354609213.db2.gz BCWKFTWVANKDBV-MRXNPFEDSA-N 2 1 304.438 2.017 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000068084844 354795358 /nfs/dbraw/zinc/79/53/58/354795358.db2.gz IRKRZRIJYUVEHY-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081687376 355444142 /nfs/dbraw/zinc/44/41/42/355444142.db2.gz WDNMEJZHHHJJGL-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000579827662 357037322 /nfs/dbraw/zinc/03/73/22/357037322.db2.gz SEEYHFXQPMPNAR-OAHLLOKOSA-N 2 1 324.852 2.320 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000598597677 359255155 /nfs/dbraw/zinc/25/51/55/359255155.db2.gz SURCOLRBPSJTRF-PVAVHDDUSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000598597677 359255156 /nfs/dbraw/zinc/25/51/56/359255156.db2.gz SURCOLRBPSJTRF-PVAVHDDUSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000598597677 359255158 /nfs/dbraw/zinc/25/51/58/359255158.db2.gz SURCOLRBPSJTRF-PVAVHDDUSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598724294 359306181 /nfs/dbraw/zinc/30/61/81/359306181.db2.gz NTXDSYJMGBDXAA-QZTJIDSGSA-N 2 1 315.461 2.399 20 30 DEEDMP C=CCSCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963173 360211008 /nfs/dbraw/zinc/21/10/08/360211008.db2.gz COXZTPWEBLPXHZ-KRWDZBQOSA-N 2 1 306.475 2.132 20 30 DEEDMP C=CCSCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963173 360211010 /nfs/dbraw/zinc/21/10/10/360211010.db2.gz COXZTPWEBLPXHZ-KRWDZBQOSA-N 2 1 306.475 2.132 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422088054 1172293215 /nfs/dbraw/zinc/29/32/15/1172293215.db2.gz GKCSQBRQEIJTLY-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422088054 1172293225 /nfs/dbraw/zinc/29/32/25/1172293225.db2.gz GKCSQBRQEIJTLY-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156585516 197125256 /nfs/dbraw/zinc/12/52/56/197125256.db2.gz GXBWNSITSWMUCM-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156585516 197125258 /nfs/dbraw/zinc/12/52/58/197125258.db2.gz GXBWNSITSWMUCM-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC000359977271 133155773 /nfs/dbraw/zinc/15/57/73/133155773.db2.gz RMSPSVRNJYPTGF-UHFFFAOYSA-N 2 1 324.428 2.019 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000349038486 146343230 /nfs/dbraw/zinc/34/32/30/146343230.db2.gz SFKGZIZCGYKBBB-LJQANCHMSA-N 2 1 314.477 2.406 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCSCC#N)CC1 ZINC000074989810 401746414 /nfs/dbraw/zinc/74/64/14/401746414.db2.gz OLCWJQVOGHVQGP-CALCHBBNSA-N 2 1 324.538 2.124 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000106290802 402212407 /nfs/dbraw/zinc/21/24/07/402212407.db2.gz XZQBENAMJQMORU-XHSDSOJGSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158720022 402310774 /nfs/dbraw/zinc/31/07/74/402310774.db2.gz CVPUBASYSCRNPF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158720022 402310777 /nfs/dbraw/zinc/31/07/77/402310777.db2.gz CVPUBASYSCRNPF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158720022 402310780 /nfs/dbraw/zinc/31/07/80/402310780.db2.gz CVPUBASYSCRNPF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158720022 402310782 /nfs/dbraw/zinc/31/07/82/402310782.db2.gz CVPUBASYSCRNPF-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP N#CCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285419681 403292825 /nfs/dbraw/zinc/29/28/25/403292825.db2.gz BUHGXGHGEFYFBD-LJQANCHMSA-N 2 1 312.461 2.182 20 30 DEEDMP N#CCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285419681 403292827 /nfs/dbraw/zinc/29/28/27/403292827.db2.gz BUHGXGHGEFYFBD-LJQANCHMSA-N 2 1 312.461 2.182 20 30 DEEDMP C[C@H](CCC#N)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437944 403857652 /nfs/dbraw/zinc/85/76/52/403857652.db2.gz BBMBHZZNEQYJJR-ZACQAIPSSA-N 2 1 323.481 2.269 20 30 DEEDMP C[C@H](CCC#N)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437944 403857653 /nfs/dbraw/zinc/85/76/53/403857653.db2.gz BBMBHZZNEQYJJR-ZACQAIPSSA-N 2 1 323.481 2.269 20 30 DEEDMP C=CCN1CCC([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000361226921 404982924 /nfs/dbraw/zinc/98/29/24/404982924.db2.gz DFQCPNHLSDAQFU-PKOBYXMFSA-N 2 1 323.525 2.363 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429683123 405443478 /nfs/dbraw/zinc/44/34/78/405443478.db2.gz PSYDENCOOPFJLZ-XMTFNYHQSA-N 2 1 304.482 2.169 20 30 DEEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429683123 405443481 /nfs/dbraw/zinc/44/34/81/405443481.db2.gz PSYDENCOOPFJLZ-XMTFNYHQSA-N 2 1 304.482 2.169 20 30 DEEDMP C#C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000491523826 406610584 /nfs/dbraw/zinc/61/05/84/406610584.db2.gz HNQYFCLTPQPZKP-CVEARBPZSA-N 2 1 302.397 2.098 20 30 DEEDMP COc1ccccc1[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCCC1 ZINC000262667926 225280910 /nfs/dbraw/zinc/28/09/10/225280910.db2.gz PSJYCUVQGJOMGB-GOEBONIOSA-N 2 1 316.449 2.160 20 30 DEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000651700931 425143840 /nfs/dbraw/zinc/14/38/40/425143840.db2.gz ZTCLGKSIQNENFO-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662680851 425710211 /nfs/dbraw/zinc/71/02/11/425710211.db2.gz MFOXLTUHICKJGP-SFHVURJKSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245866 1149079638 /nfs/dbraw/zinc/07/96/38/1149079638.db2.gz YKIGQRIKKSGJCA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001378930296 1152495028 /nfs/dbraw/zinc/49/50/28/1152495028.db2.gz WJOGQRZEQUFGJD-HIFRSBDPSA-N 2 1 315.889 2.297 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261762525 526371186 /nfs/dbraw/zinc/37/11/86/526371186.db2.gz NEMMHPAJDAMXMA-GOEBONIOSA-N 2 1 324.538 2.120 20 30 DEEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCc2ccccc21 ZINC000262805333 526379774 /nfs/dbraw/zinc/37/97/74/526379774.db2.gz SLDGEQDWKKAQNN-QGZVFWFLSA-N 2 1 318.490 2.062 20 30 DEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@H]1CC[N@@H+](C)C1 ZINC000262490469 526380768 /nfs/dbraw/zinc/38/07/68/526380768.db2.gz UQULVGDQPBRXQR-GFCCVEGCSA-N 2 1 324.469 2.164 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000294893909 526826530 /nfs/dbraw/zinc/82/65/30/526826530.db2.gz FCQOXWRKSIPUMH-KRWDZBQOSA-N 2 1 315.461 2.129 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000294893909 526826534 /nfs/dbraw/zinc/82/65/34/526826534.db2.gz FCQOXWRKSIPUMH-KRWDZBQOSA-N 2 1 315.461 2.129 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295006159 526829259 /nfs/dbraw/zinc/82/92/59/526829259.db2.gz MJEMMZPRQPHVPG-QGZVFWFLSA-N 2 1 315.417 2.461 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295006159 526829262 /nfs/dbraw/zinc/82/92/62/526829262.db2.gz MJEMMZPRQPHVPG-QGZVFWFLSA-N 2 1 315.417 2.461 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000262115837 526871695 /nfs/dbraw/zinc/87/16/95/526871695.db2.gz WXWAIZZYRULUCK-GOSISDBHSA-N 2 1 302.418 2.445 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000262115837 526871697 /nfs/dbraw/zinc/87/16/97/526871697.db2.gz WXWAIZZYRULUCK-GOSISDBHSA-N 2 1 302.418 2.445 20 30 DEEDMP CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000262472774 528175063 /nfs/dbraw/zinc/17/50/63/528175063.db2.gz OLIVPFIQEGNFFH-AWEZNQCLSA-N 2 1 313.405 2.412 20 30 DEEDMP CC[NH+]=C(NC[C@@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263241335 528809507 /nfs/dbraw/zinc/80/95/07/528809507.db2.gz LHFSHIPHOSYMJP-CQSZACIVSA-N 2 1 300.450 2.497 20 30 DEEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@H](C)C1 ZINC000262812908 528815794 /nfs/dbraw/zinc/81/57/94/528815794.db2.gz UUVYHYOOESQQLK-GOEBONIOSA-N 2 1 312.527 2.121 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899602 529073518 /nfs/dbraw/zinc/07/35/18/529073518.db2.gz WJQPGYYNJKUZII-QWHCGFSZSA-N 2 1 302.413 2.201 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)(C)C)cs1 ZINC000267393857 529073584 /nfs/dbraw/zinc/07/35/84/529073584.db2.gz DNLHJWSNWFHZGB-GFCCVEGCSA-N 2 1 323.510 2.329 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263025731 529100501 /nfs/dbraw/zinc/10/05/01/529100501.db2.gz AORJJXLOLYARNL-STQMWFEESA-N 2 1 302.413 2.201 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023467918 625284072 /nfs/dbraw/zinc/28/40/72/625284072.db2.gz DVWWLPACLWGMIF-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001023585511 625333558 /nfs/dbraw/zinc/33/35/58/625333558.db2.gz GBBDNISAFRPJOQ-CABCVRRESA-N 2 1 316.449 2.234 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)C1 ZINC001023585511 625333560 /nfs/dbraw/zinc/33/35/60/625333560.db2.gz GBBDNISAFRPJOQ-CABCVRRESA-N 2 1 316.449 2.234 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008280147 625420210 /nfs/dbraw/zinc/42/02/10/625420210.db2.gz RURVPSANTWIUCT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280147 625420215 /nfs/dbraw/zinc/42/02/15/625420215.db2.gz RURVPSANTWIUCT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280147 625420219 /nfs/dbraw/zinc/42/02/19/625420219.db2.gz RURVPSANTWIUCT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486834 625478684 /nfs/dbraw/zinc/47/86/84/625478684.db2.gz XOUMGKLIJKURNF-HOTGVXAUSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969832321 622942434 /nfs/dbraw/zinc/94/24/34/622942434.db2.gz GKIPBJXHQLXQDB-YOEHRIQHSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970028726 623063434 /nfs/dbraw/zinc/06/34/34/623063434.db2.gz WKOZVMRMKVWIQJ-NVXWUHKLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636347 623872725 /nfs/dbraw/zinc/87/27/25/623872725.db2.gz POSAIMZYDWLCTC-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636347 623872729 /nfs/dbraw/zinc/87/27/29/623872729.db2.gz POSAIMZYDWLCTC-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645755 623895035 /nfs/dbraw/zinc/89/50/35/623895035.db2.gz MNKCULDOYYGCKS-IRXDYDNUSA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000971641039 624467219 /nfs/dbraw/zinc/46/72/19/624467219.db2.gz KSVSYLXCBUZQJH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000971641039 624467220 /nfs/dbraw/zinc/46/72/20/624467220.db2.gz KSVSYLXCBUZQJH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000971641039 624467221 /nfs/dbraw/zinc/46/72/21/624467221.db2.gz KSVSYLXCBUZQJH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC000971641039 624467222 /nfs/dbraw/zinc/46/72/22/624467222.db2.gz KSVSYLXCBUZQJH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683051 624505006 /nfs/dbraw/zinc/50/50/06/624505006.db2.gz SCFIMMKSOCNGDM-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683051 624505007 /nfs/dbraw/zinc/50/50/07/624505007.db2.gz SCFIMMKSOCNGDM-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683051 624505008 /nfs/dbraw/zinc/50/50/08/624505008.db2.gz SCFIMMKSOCNGDM-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763162 634398855 /nfs/dbraw/zinc/39/88/55/634398855.db2.gz LUQDQBPMTJXSPF-YMAMQOFZSA-N 2 1 313.873 2.191 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551429 625231012 /nfs/dbraw/zinc/23/10/12/625231012.db2.gz JSXURQNNKCCZFW-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142531 634492690 /nfs/dbraw/zinc/49/26/90/634492690.db2.gz AWXLNQUXOOCVBD-GJZGRUSLSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999972526 634711849 /nfs/dbraw/zinc/71/18/49/634711849.db2.gz GHLJGOQWKBCBIL-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260185 634829166 /nfs/dbraw/zinc/82/91/66/634829166.db2.gz KWGCFTZYHAXPAQ-DOTOQJQBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692903 632923421 /nfs/dbraw/zinc/92/34/21/632923421.db2.gz SXLYCNUEGLTBSL-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024692903 632923425 /nfs/dbraw/zinc/92/34/25/632923425.db2.gz SXLYCNUEGLTBSL-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995919503 633139228 /nfs/dbraw/zinc/13/92/28/633139228.db2.gz RMLARZWKCVKETQ-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009049183 633496989 /nfs/dbraw/zinc/49/69/89/633496989.db2.gz HHRUVRCULJGBPE-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027436755 633783592 /nfs/dbraw/zinc/78/35/92/633783592.db2.gz FIIRJNIWDIJUGM-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436755 633783594 /nfs/dbraw/zinc/78/35/94/633783594.db2.gz FIIRJNIWDIJUGM-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027436755 633783598 /nfs/dbraw/zinc/78/35/98/633783598.db2.gz FIIRJNIWDIJUGM-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980083307 634845247 /nfs/dbraw/zinc/84/52/47/634845247.db2.gz IAKNKFHORXOGHA-YESZJQIVSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027929284 634990750 /nfs/dbraw/zinc/99/07/50/634990750.db2.gz DCOXINGHTQFHJA-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929284 634990751 /nfs/dbraw/zinc/99/07/51/634990751.db2.gz DCOXINGHTQFHJA-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929284 634990756 /nfs/dbraw/zinc/99/07/56/634990756.db2.gz DCOXINGHTQFHJA-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964823 635100620 /nfs/dbraw/zinc/10/06/20/635100620.db2.gz PEHFHERNCCUOBW-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985574 635168554 /nfs/dbraw/zinc/16/85/54/635168554.db2.gz LEOVVMFMFJPQAB-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985574 635168558 /nfs/dbraw/zinc/16/85/58/635168558.db2.gz LEOVVMFMFJPQAB-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001000851852 635328537 /nfs/dbraw/zinc/32/85/37/635328537.db2.gz PEROKGVMOCYOLQ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001000851852 635328539 /nfs/dbraw/zinc/32/85/39/635328539.db2.gz PEROKGVMOCYOLQ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001000851852 635328542 /nfs/dbraw/zinc/32/85/42/635328542.db2.gz PEROKGVMOCYOLQ-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153414 635334210 /nfs/dbraw/zinc/33/42/10/635334210.db2.gz ZRYVJMVLFMCRIY-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153414 635334212 /nfs/dbraw/zinc/33/42/12/635334212.db2.gz ZRYVJMVLFMCRIY-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153414 635334220 /nfs/dbraw/zinc/33/42/20/635334220.db2.gz ZRYVJMVLFMCRIY-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000981283571 635421670 /nfs/dbraw/zinc/42/16/70/635421670.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000981283571 635421671 /nfs/dbraw/zinc/42/16/71/635421671.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000981283571 635421673 /nfs/dbraw/zinc/42/16/73/635421673.db2.gz XVADCYHEKWYBBC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981325048 635440032 /nfs/dbraw/zinc/44/00/32/635440032.db2.gz ZNLGSEUIOLYNSO-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981325048 635440036 /nfs/dbraw/zinc/44/00/36/635440036.db2.gz ZNLGSEUIOLYNSO-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981325048 635440038 /nfs/dbraw/zinc/44/00/38/635440038.db2.gz ZNLGSEUIOLYNSO-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(Cl)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098618 635514237 /nfs/dbraw/zinc/51/42/37/635514237.db2.gz SWAYQYVKWPKNAC-KKUMJFAQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981821833 635667577 /nfs/dbraw/zinc/66/75/77/635667577.db2.gz DMJHTSDJSGZISF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981821833 635667581 /nfs/dbraw/zinc/66/75/81/635667581.db2.gz DMJHTSDJSGZISF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981821833 635667583 /nfs/dbraw/zinc/66/75/83/635667583.db2.gz DMJHTSDJSGZISF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002813018 635804631 /nfs/dbraw/zinc/80/46/31/635804631.db2.gz VWUWNYMBZGBOQZ-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162281 635889499 /nfs/dbraw/zinc/88/94/99/635889499.db2.gz LXOWNRHYULADCA-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028252131 635960811 /nfs/dbraw/zinc/96/08/11/635960811.db2.gz QWAHIEWPCJRSDC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252131 635960813 /nfs/dbraw/zinc/96/08/13/635960813.db2.gz QWAHIEWPCJRSDC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252131 635960814 /nfs/dbraw/zinc/96/08/14/635960814.db2.gz QWAHIEWPCJRSDC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028253775 635964170 /nfs/dbraw/zinc/96/41/70/635964170.db2.gz GQELXILDLQMQRW-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253775 635964173 /nfs/dbraw/zinc/96/41/73/635964173.db2.gz GQELXILDLQMQRW-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028253775 635964178 /nfs/dbraw/zinc/96/41/78/635964178.db2.gz GQELXILDLQMQRW-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941431 636090019 /nfs/dbraw/zinc/09/00/19/636090019.db2.gz ZUXZGMBSHNLTHY-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C#N)c1)C2 ZINC000922389641 636147049 /nfs/dbraw/zinc/14/70/49/636147049.db2.gz VHSGNCRGIACEQZ-MKXGPGLRSA-N 2 1 313.445 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001028542040 636327598 /nfs/dbraw/zinc/32/75/98/636327598.db2.gz KIIPYRXWFJSPPS-HNNXBMFYSA-N 2 1 312.417 2.271 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537491 636329189 /nfs/dbraw/zinc/32/91/89/636329189.db2.gz MAZPXJZSEYFFET-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537491 636329191 /nfs/dbraw/zinc/32/91/91/636329191.db2.gz MAZPXJZSEYFFET-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537491 636329193 /nfs/dbraw/zinc/32/91/93/636329193.db2.gz MAZPXJZSEYFFET-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537491 636329195 /nfs/dbraw/zinc/32/91/95/636329195.db2.gz MAZPXJZSEYFFET-GJZGRUSLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001004546100 636483787 /nfs/dbraw/zinc/48/37/87/636483787.db2.gz GONWTPYIQBQSEH-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546100 636483788 /nfs/dbraw/zinc/48/37/88/636483788.db2.gz GONWTPYIQBQSEH-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546100 636483790 /nfs/dbraw/zinc/48/37/90/636483790.db2.gz GONWTPYIQBQSEH-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765770 636623685 /nfs/dbraw/zinc/62/36/85/636623685.db2.gz XPDQYLQKRAJMAD-FGTMMUONSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000985538979 639474918 /nfs/dbraw/zinc/47/49/18/639474918.db2.gz YTNIKIICPIHBQP-UHFFFAOYSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989507596 641130163 /nfs/dbraw/zinc/13/01/63/641130163.db2.gz SEYPRTMBXAKSAY-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C[NH+]1CCN(c2ccc(C=[NH+]OCC(F)(F)F)cc2)CC1 ZINC000771558223 641525462 /nfs/dbraw/zinc/52/54/62/641525462.db2.gz XMFCEAHRQZGRBS-UHFFFAOYSA-N 2 1 301.312 2.351 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990683077 641600179 /nfs/dbraw/zinc/60/01/79/641600179.db2.gz IVEQVLQAJWDPAL-JENIJYKNSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767723 641985435 /nfs/dbraw/zinc/98/54/35/641985435.db2.gz YOKTUTODHXFHPN-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767723 641985437 /nfs/dbraw/zinc/98/54/37/641985437.db2.gz YOKTUTODHXFHPN-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767723 641985440 /nfs/dbraw/zinc/98/54/40/641985440.db2.gz YOKTUTODHXFHPN-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767763 641986504 /nfs/dbraw/zinc/98/65/04/641986504.db2.gz YRSXSSAAQXMOLQ-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767763 641986507 /nfs/dbraw/zinc/98/65/07/641986507.db2.gz YRSXSSAAQXMOLQ-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990767763 641986510 /nfs/dbraw/zinc/98/65/10/641986510.db2.gz YRSXSSAAQXMOLQ-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(COC(C)=O)c1 ZINC000903178808 643278301 /nfs/dbraw/zinc/27/83/01/643278301.db2.gz YDTDTPBRKCUAJC-OAHLLOKOSA-N 2 1 302.418 2.355 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(COC(C)=O)c1 ZINC000903178808 643278302 /nfs/dbraw/zinc/27/83/02/643278302.db2.gz YDTDTPBRKCUAJC-OAHLLOKOSA-N 2 1 302.418 2.355 20 30 DEEDMP N#Cc1ccc(CCN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903505827 643367004 /nfs/dbraw/zinc/36/70/04/643367004.db2.gz IJLYAGVQIZRZQK-BGYRXZFFSA-N 2 1 324.472 2.001 20 30 DEEDMP N#Cc1ccc(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903505827 643367007 /nfs/dbraw/zinc/36/70/07/643367007.db2.gz IJLYAGVQIZRZQK-BGYRXZFFSA-N 2 1 324.472 2.001 20 30 DEEDMP N#Cc1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000903505827 643367009 /nfs/dbraw/zinc/36/70/09/643367009.db2.gz IJLYAGVQIZRZQK-BGYRXZFFSA-N 2 1 324.472 2.001 20 30 DEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725863 643440939 /nfs/dbraw/zinc/44/09/39/643440939.db2.gz INAATVUHDVCHIO-MOPGFXCFSA-N 2 1 300.446 2.486 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189915 646894996 /nfs/dbraw/zinc/89/49/96/646894996.db2.gz OASKIXOGXLOGQU-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189915 646894999 /nfs/dbraw/zinc/89/49/99/646894999.db2.gz OASKIXOGXLOGQU-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992189915 646895001 /nfs/dbraw/zinc/89/50/01/646895001.db2.gz OASKIXOGXLOGQU-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000732136543 647544704 /nfs/dbraw/zinc/54/47/04/647544704.db2.gz PWZXTDLKBZRGEN-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994134662 647791758 /nfs/dbraw/zinc/79/17/58/647791758.db2.gz PORDLELOVZQWKD-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253236 647861697 /nfs/dbraw/zinc/86/16/97/647861697.db2.gz NDXHQIWMRPITEM-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939236515 648606817 /nfs/dbraw/zinc/60/68/17/648606817.db2.gz PPHYDYLEUOUYGY-TZMCWYRMSA-N 2 1 324.856 2.196 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167360 649013965 /nfs/dbraw/zinc/01/39/65/649013965.db2.gz VAHMJCNBQRUPIM-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237024 649029245 /nfs/dbraw/zinc/02/92/45/649029245.db2.gz GBWLYYFXANOLRD-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237024 649029246 /nfs/dbraw/zinc/02/92/46/649029246.db2.gz GBWLYYFXANOLRD-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237024 649029247 /nfs/dbraw/zinc/02/92/47/649029247.db2.gz GBWLYYFXANOLRD-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372257 649097089 /nfs/dbraw/zinc/09/70/89/649097089.db2.gz AMYYYNQNGGFRAV-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942054567 649145764 /nfs/dbraw/zinc/14/57/64/649145764.db2.gz XLVZUMUUJQXHJT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3nccn32)[C@@H](C)C1 ZINC000942484663 649227051 /nfs/dbraw/zinc/22/70/51/649227051.db2.gz DNPYQKQPVMQURI-GJZGRUSLSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943287910 649359372 /nfs/dbraw/zinc/35/93/72/649359372.db2.gz LHEGBGVNSOQULE-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943287910 649359374 /nfs/dbraw/zinc/35/93/74/649359374.db2.gz LHEGBGVNSOQULE-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C[N@H+]1CC[C@@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849019098 651584912 /nfs/dbraw/zinc/58/49/12/651584912.db2.gz IGYXXOCZGKFYLB-GOSISDBHSA-N 2 1 316.449 2.007 20 30 DEEDMP C#Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000854263455 652667695 /nfs/dbraw/zinc/66/76/95/652667695.db2.gz GYSCATDSYSKOOQ-HNNXBMFYSA-N 2 1 316.449 2.061 20 30 DEEDMP C#Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000854263455 652667698 /nfs/dbraw/zinc/66/76/98/652667698.db2.gz GYSCATDSYSKOOQ-HNNXBMFYSA-N 2 1 316.449 2.061 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841234 685302815 /nfs/dbraw/zinc/30/28/15/685302815.db2.gz ZGIULIWNBLULEO-CQSZACIVSA-N 2 1 300.516 2.298 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054135302 693858711 /nfs/dbraw/zinc/85/87/11/693858711.db2.gz ZAFGTHCJUJVKQP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135302 693858712 /nfs/dbraw/zinc/85/87/12/693858712.db2.gz ZAFGTHCJUJVKQP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135302 693858714 /nfs/dbraw/zinc/85/87/14/693858714.db2.gz ZAFGTHCJUJVKQP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145002 693862539 /nfs/dbraw/zinc/86/25/39/693862539.db2.gz HIPHICCYRSNQEX-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184836 693874089 /nfs/dbraw/zinc/87/40/89/693874089.db2.gz MTAPRZDHGCFRDS-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184836 693874091 /nfs/dbraw/zinc/87/40/91/693874091.db2.gz MTAPRZDHGCFRDS-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184836 693874094 /nfs/dbraw/zinc/87/40/94/693874094.db2.gz MTAPRZDHGCFRDS-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198529 693879316 /nfs/dbraw/zinc/87/93/16/693879316.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198529 693879317 /nfs/dbraw/zinc/87/93/17/693879317.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198529 693879319 /nfs/dbraw/zinc/87/93/19/693879319.db2.gz ZEDIIAHDFVRSTN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227127 693891651 /nfs/dbraw/zinc/89/16/51/693891651.db2.gz DTGDTKDKWYUESX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227127 693891656 /nfs/dbraw/zinc/89/16/56/693891656.db2.gz DTGDTKDKWYUESX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227127 693891659 /nfs/dbraw/zinc/89/16/59/693891659.db2.gz DTGDTKDKWYUESX-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279902 693911392 /nfs/dbraw/zinc/91/13/92/693911392.db2.gz QPEKYHQZBRRSEA-UHFFFAOYSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001054279902 693911396 /nfs/dbraw/zinc/91/13/96/693911396.db2.gz QPEKYHQZBRRSEA-UHFFFAOYSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291988 693917004 /nfs/dbraw/zinc/91/70/04/693917004.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291988 693917009 /nfs/dbraw/zinc/91/70/09/693917009.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291988 693917014 /nfs/dbraw/zinc/91/70/14/693917014.db2.gz NVNQCRYLFFCPMJ-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303876766 685236963 /nfs/dbraw/zinc/23/69/63/685236963.db2.gz IJBWOYZKRIEGNP-KRWDZBQOSA-N 2 1 302.466 2.426 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000303981119 685241130 /nfs/dbraw/zinc/24/11/30/685241130.db2.gz OUXSYYXDKPEEBL-HNNXBMFYSA-N 2 1 322.453 2.056 20 30 DEEDMP CCCCCCCC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710269 687661618 /nfs/dbraw/zinc/66/16/18/687661618.db2.gz XCOYVMYFJWBFFC-XHSDSOJGSA-N 2 1 309.454 2.214 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016830544 687713087 /nfs/dbraw/zinc/71/30/87/687713087.db2.gz SCNNKNKXECMQNS-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C[NH2+]Cc1cccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000867967234 687854330 /nfs/dbraw/zinc/85/43/30/687854330.db2.gz ZOUXYNUSDLYRHE-SFHVURJKSA-N 2 1 320.396 2.103 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001017601092 687921292 /nfs/dbraw/zinc/92/12/92/687921292.db2.gz YKDQFZLKYNYXIT-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001017601092 687921296 /nfs/dbraw/zinc/92/12/96/687921296.db2.gz YKDQFZLKYNYXIT-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017601092 687921301 /nfs/dbraw/zinc/92/13/01/687921301.db2.gz YKDQFZLKYNYXIT-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017601092 687921305 /nfs/dbraw/zinc/92/13/05/687921305.db2.gz YKDQFZLKYNYXIT-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017694821 687940396 /nfs/dbraw/zinc/94/03/96/687940396.db2.gz CIXTWZFRMLHQTH-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017694821 687940400 /nfs/dbraw/zinc/94/04/00/687940400.db2.gz CIXTWZFRMLHQTH-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017694821 687940403 /nfs/dbraw/zinc/94/04/03/687940403.db2.gz CIXTWZFRMLHQTH-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017694821 687940407 /nfs/dbraw/zinc/94/04/07/687940407.db2.gz CIXTWZFRMLHQTH-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001019825666 688414314 /nfs/dbraw/zinc/41/43/14/688414314.db2.gz JIMWMBLIIIMCSB-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541658 688541224 /nfs/dbraw/zinc/54/12/24/688541224.db2.gz CWLHTHYFXVUKMF-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541658 688541226 /nfs/dbraw/zinc/54/12/26/688541226.db2.gz CWLHTHYFXVUKMF-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541658 688541229 /nfs/dbraw/zinc/54/12/29/688541229.db2.gz CWLHTHYFXVUKMF-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030316055 688663319 /nfs/dbraw/zinc/66/33/19/688663319.db2.gz VGRUHXYMCVRCBO-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030316055 688663323 /nfs/dbraw/zinc/66/33/23/688663323.db2.gz VGRUHXYMCVRCBO-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405515 689142187 /nfs/dbraw/zinc/14/21/87/689142187.db2.gz GYJPHZOFBGXYBR-NJAFHUGGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405515 689142188 /nfs/dbraw/zinc/14/21/88/689142188.db2.gz GYJPHZOFBGXYBR-NJAFHUGGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405515 689142189 /nfs/dbraw/zinc/14/21/89/689142189.db2.gz GYJPHZOFBGXYBR-NJAFHUGGSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405515 689142190 /nfs/dbraw/zinc/14/21/90/689142190.db2.gz GYJPHZOFBGXYBR-NJAFHUGGSA-N 2 1 317.477 2.112 20 30 DEEDMP CCCC[N@H+](CC(=O)NCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034840 694298976 /nfs/dbraw/zinc/29/89/76/694298976.db2.gz ZESXPLRQKRCZPM-UHFFFAOYSA-N 2 1 308.470 2.037 20 30 DEEDMP CCCC[N@@H+](CC(=O)NCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034840 694298978 /nfs/dbraw/zinc/29/89/78/694298978.db2.gz ZESXPLRQKRCZPM-UHFFFAOYSA-N 2 1 308.470 2.037 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033878429 689647850 /nfs/dbraw/zinc/64/78/50/689647850.db2.gz KULOYWPSTVUIJQ-KRWDZBQOSA-N 2 1 324.428 2.202 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426578 689845499 /nfs/dbraw/zinc/84/54/99/689845499.db2.gz MMTNDDMGJOORHG-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426578 689845504 /nfs/dbraw/zinc/84/55/04/689845504.db2.gz MMTNDDMGJOORHG-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001034427478 689846187 /nfs/dbraw/zinc/84/61/87/689846187.db2.gz YIUYRCXLFAJXDH-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034427478 689846193 /nfs/dbraw/zinc/84/61/93/689846193.db2.gz YIUYRCXLFAJXDH-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475901 689865334 /nfs/dbraw/zinc/86/53/34/689865334.db2.gz XWFGAXUCQQXTDW-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876989098 689991933 /nfs/dbraw/zinc/99/19/33/689991933.db2.gz OKZNZOUYVVJXBS-GOEBONIOSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876989098 689991937 /nfs/dbraw/zinc/99/19/37/689991937.db2.gz OKZNZOUYVVJXBS-GOEBONIOSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000877221488 690049230 /nfs/dbraw/zinc/04/92/30/690049230.db2.gz PUCNOKGUDUIUDJ-HOTGVXAUSA-N 2 1 321.852 2.155 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cnc1C)CC2 ZINC001035250314 690073877 /nfs/dbraw/zinc/07/38/77/690073877.db2.gz MZLDAXAYAYLJNH-UHFFFAOYSA-N 2 1 316.449 2.151 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742513 690165944 /nfs/dbraw/zinc/16/59/44/690165944.db2.gz ZIDDGGIHRMVJAN-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP COCC[N@H+](Cc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000877664635 690182784 /nfs/dbraw/zinc/18/27/84/690182784.db2.gz SHHVTNUVGBUFPO-UHFFFAOYSA-N 2 1 301.434 2.348 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759753 690461791 /nfs/dbraw/zinc/46/17/91/690461791.db2.gz QBUUGULORGKCKH-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[C@@H]1CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762015 690493945 /nfs/dbraw/zinc/49/39/45/690493945.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762015 690493946 /nfs/dbraw/zinc/49/39/46/690493946.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762015 690493948 /nfs/dbraw/zinc/49/39/48/690493948.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878762015 690493950 /nfs/dbraw/zinc/49/39/50/690493950.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878762015 690493951 /nfs/dbraw/zinc/49/39/51/690493951.db2.gz VRNFNWZVKZBONS-UYAOXDASSA-N 2 1 312.457 2.359 20 30 DEEDMP COCC[N@@H+](Cc1ccc(F)cc1C#N)CC1CC[NH+](C)CC1 ZINC000879125154 690573110 /nfs/dbraw/zinc/57/31/10/690573110.db2.gz RFCIUTRXKFJOOY-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP COCC[N@H+](Cc1ccc(F)cc1C#N)CC1CC[NH+](C)CC1 ZINC000879125154 690573113 /nfs/dbraw/zinc/57/31/13/690573113.db2.gz RFCIUTRXKFJOOY-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879949979 690759568 /nfs/dbraw/zinc/75/95/68/690759568.db2.gz AZCLRWJQJYAHQN-UHFFFAOYSA-N 2 1 320.481 2.089 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244339 691066742 /nfs/dbraw/zinc/06/67/42/691066742.db2.gz XRBCWVHIWYIBNH-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388127 691095359 /nfs/dbraw/zinc/09/53/59/691095359.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388127 691095360 /nfs/dbraw/zinc/09/53/60/691095360.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388127 691095365 /nfs/dbraw/zinc/09/53/65/691095365.db2.gz BNJNTCHLBNUCGO-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040327433 691230973 /nfs/dbraw/zinc/23/09/73/691230973.db2.gz FQYZQZOHDATSHC-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040542933 691263247 /nfs/dbraw/zinc/26/32/47/691263247.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542933 691263250 /nfs/dbraw/zinc/26/32/50/691263250.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542933 691263254 /nfs/dbraw/zinc/26/32/54/691263254.db2.gz GRAFEUBGJMFHBH-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358907 691366472 /nfs/dbraw/zinc/36/64/72/691366472.db2.gz RGHINESMZAACDA-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358907 691366475 /nfs/dbraw/zinc/36/64/75/691366475.db2.gz RGHINESMZAACDA-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358907 691366480 /nfs/dbraw/zinc/36/64/80/691366480.db2.gz RGHINESMZAACDA-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041374294 691368845 /nfs/dbraw/zinc/36/88/45/691368845.db2.gz DOAAOCHQKFOLLO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041374294 691368847 /nfs/dbraw/zinc/36/88/47/691368847.db2.gz DOAAOCHQKFOLLO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041374294 691368851 /nfs/dbraw/zinc/36/88/51/691368851.db2.gz DOAAOCHQKFOLLO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041692808 691410658 /nfs/dbraw/zinc/41/06/58/691410658.db2.gz OFHOHJKSVQOSKG-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716482 691415776 /nfs/dbraw/zinc/41/57/76/691415776.db2.gz WTZNIFWXJKBDLI-SFHVURJKSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041716482 691415781 /nfs/dbraw/zinc/41/57/81/691415781.db2.gz WTZNIFWXJKBDLI-SFHVURJKSA-N 2 1 316.449 2.117 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1c(C2CC2)nc2sccn12 ZINC000883131282 691435689 /nfs/dbraw/zinc/43/56/89/691435689.db2.gz UIRJBBFUABGXPV-UHFFFAOYSA-N 2 1 302.447 2.318 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041844628 691443955 /nfs/dbraw/zinc/44/39/55/691443955.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844628 691443957 /nfs/dbraw/zinc/44/39/57/691443957.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844628 691443958 /nfs/dbraw/zinc/44/39/58/691443958.db2.gz BIQHNEFQGFVNGE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122414 691514226 /nfs/dbraw/zinc/51/42/26/691514226.db2.gz NHRUOOCBUAHJEX-MAUKXSAKSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186617 691532093 /nfs/dbraw/zinc/53/20/93/691532093.db2.gz IPQCRJUECCLWAJ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1ccc(C#N)cc1 ZINC000931722769 694464609 /nfs/dbraw/zinc/46/46/09/694464609.db2.gz LCLOAIGYWYJIAN-DLBZAZTESA-N 2 1 312.417 2.055 20 30 DEEDMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1ccc(C#N)cc1 ZINC000931722769 694464611 /nfs/dbraw/zinc/46/46/11/694464611.db2.gz LCLOAIGYWYJIAN-DLBZAZTESA-N 2 1 312.417 2.055 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438923 691981309 /nfs/dbraw/zinc/98/13/09/691981309.db2.gz WZZMULRJCXIRHC-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000886016745 691984506 /nfs/dbraw/zinc/98/45/06/691984506.db2.gz KRJKSTYFOIPLEU-IRXDYDNUSA-N 2 1 305.466 2.382 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027095 691986680 /nfs/dbraw/zinc/98/66/80/691986680.db2.gz CBVLCTSWUAOURW-SJORKVTESA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027095 691986682 /nfs/dbraw/zinc/98/66/82/691986682.db2.gz CBVLCTSWUAOURW-SJORKVTESA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027095 691986685 /nfs/dbraw/zinc/98/66/85/691986685.db2.gz CBVLCTSWUAOURW-SJORKVTESA-N 2 1 305.466 2.095 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046315230 692149560 /nfs/dbraw/zinc/14/95/60/692149560.db2.gz IJIOZXWHHJNBDN-AEFFLSMTSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319950 692152247 /nfs/dbraw/zinc/15/22/47/692152247.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319950 692152248 /nfs/dbraw/zinc/15/22/48/692152248.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319950 692152250 /nfs/dbraw/zinc/15/22/50/692152250.db2.gz YXKXWIUANBGSMO-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851814 692316801 /nfs/dbraw/zinc/31/68/01/692316801.db2.gz IZHIHHVEOYSHQB-SFHVURJKSA-N 2 1 301.434 2.128 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610761 692658874 /nfs/dbraw/zinc/65/88/74/692658874.db2.gz WDHHDFNSTWABGR-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001048610761 692658877 /nfs/dbraw/zinc/65/88/77/692658877.db2.gz WDHHDFNSTWABGR-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514816 692906821 /nfs/dbraw/zinc/90/68/21/692906821.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514816 692906827 /nfs/dbraw/zinc/90/68/27/692906827.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514816 692906831 /nfs/dbraw/zinc/90/68/31/692906831.db2.gz JHCVNUGXQWGHHR-RCCFBDPRSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523439 692911318 /nfs/dbraw/zinc/91/13/18/692911318.db2.gz XWGNMEZTGBXWRW-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523439 692911322 /nfs/dbraw/zinc/91/13/22/692911322.db2.gz XWGNMEZTGBXWRW-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523439 692911324 /nfs/dbraw/zinc/91/13/24/692911324.db2.gz XWGNMEZTGBXWRW-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049560335 692921852 /nfs/dbraw/zinc/92/18/52/692921852.db2.gz XONMCMAGCZMLNT-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049560335 692921855 /nfs/dbraw/zinc/92/18/55/692921855.db2.gz XONMCMAGCZMLNT-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049560335 692921856 /nfs/dbraw/zinc/92/18/56/692921856.db2.gz XONMCMAGCZMLNT-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566932 692923252 /nfs/dbraw/zinc/92/32/52/692923252.db2.gz HFBNGPJGLFLYLH-IAGOWNOFSA-N 2 1 317.477 2.256 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572761 692926305 /nfs/dbraw/zinc/92/63/05/692926305.db2.gz OFDZTRLFHHZDDU-QZTJIDSGSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615452 692940518 /nfs/dbraw/zinc/94/05/18/692940518.db2.gz KCSJPADCBROVDI-KSZLIROESA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805365 693006188 /nfs/dbraw/zinc/00/61/88/693006188.db2.gz JNUSHDWLULJUBH-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068876 693099042 /nfs/dbraw/zinc/09/90/42/693099042.db2.gz MYUZDSFXLHRQJF-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068876 693099044 /nfs/dbraw/zinc/09/90/44/693099044.db2.gz MYUZDSFXLHRQJF-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068876 693099046 /nfs/dbraw/zinc/09/90/46/693099046.db2.gz MYUZDSFXLHRQJF-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446939 693537417 /nfs/dbraw/zinc/53/74/17/693537417.db2.gz UCOXSEMWXQWNAV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446939 693537418 /nfs/dbraw/zinc/53/74/18/693537418.db2.gz UCOXSEMWXQWNAV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446939 693537420 /nfs/dbraw/zinc/53/74/20/693537420.db2.gz UCOXSEMWXQWNAV-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052499342 693550083 /nfs/dbraw/zinc/55/00/83/693550083.db2.gz UBABXUXEUZVPGE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499342 693550085 /nfs/dbraw/zinc/55/00/85/693550085.db2.gz UBABXUXEUZVPGE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499342 693550087 /nfs/dbraw/zinc/55/00/87/693550087.db2.gz UBABXUXEUZVPGE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562440 693568984 /nfs/dbraw/zinc/56/89/84/693568984.db2.gz RLMBVFSGIQYSMX-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756374 693612322 /nfs/dbraw/zinc/61/23/22/693612322.db2.gz GJCYUCGJZRZHDU-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052756374 693612326 /nfs/dbraw/zinc/61/23/26/693612326.db2.gz GJCYUCGJZRZHDU-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757415 693612667 /nfs/dbraw/zinc/61/26/67/693612667.db2.gz LKWVZJYMYWYDMR-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757415 693612670 /nfs/dbraw/zinc/61/26/70/693612670.db2.gz LKWVZJYMYWYDMR-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001479910607 1151166872 /nfs/dbraw/zinc/16/68/72/1151166872.db2.gz DPRNYXYVRHEXAR-HOTGVXAUSA-N 2 1 304.438 2.381 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264938 /nfs/dbraw/zinc/26/49/38/1153264938.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264943 /nfs/dbraw/zinc/26/49/43/1153264943.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200611 1153264950 /nfs/dbraw/zinc/26/49/50/1153264950.db2.gz XMDOESCLKZTDMR-JLSDUUJJSA-N 2 1 301.434 2.254 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001394830864 1158806446 /nfs/dbraw/zinc/80/64/46/1158806446.db2.gz DNAKZSBZHKYLJN-CYBMUJFWSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001376936409 1159850569 /nfs/dbraw/zinc/85/05/69/1159850569.db2.gz OUMDSZKRLNQUDU-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001377124780 1159928640 /nfs/dbraw/zinc/92/86/40/1159928640.db2.gz WHROYRPLWHNRLE-UHFFFAOYSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001377524527 1160490029 /nfs/dbraw/zinc/49/00/29/1160490029.db2.gz GNUIYKUCSMOLST-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001405969824 1164363231 /nfs/dbraw/zinc/36/32/31/1164363231.db2.gz MIWFHAGTTJKWJU-ZFWWWQNUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001422294925 1172462786 /nfs/dbraw/zinc/46/27/86/1172462786.db2.gz XLTWITRZKNSXTE-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001423487460 1173370242 /nfs/dbraw/zinc/37/02/42/1173370242.db2.gz VZTZBMBPSXGUEL-CQSZACIVSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001437308982 1179709381 /nfs/dbraw/zinc/70/93/81/1179709381.db2.gz HNPSMQXQIWQRBJ-AWEZNQCLSA-N 2 1 324.856 2.197 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679458 1182125641 /nfs/dbraw/zinc/12/56/41/1182125641.db2.gz NMYIXDXWZWSHAT-HUUCEWRRSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679458 1182125647 /nfs/dbraw/zinc/12/56/47/1182125647.db2.gz NMYIXDXWZWSHAT-HUUCEWRRSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001446704586 1184516630 /nfs/dbraw/zinc/51/66/30/1184516630.db2.gz ZCXJHMKONNTXGY-GOEBONIOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001332414519 1149857999 /nfs/dbraw/zinc/85/79/99/1149857999.db2.gz ZQCUOAHCKUOIOO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332808598 1149894950 /nfs/dbraw/zinc/89/49/50/1149894950.db2.gz VBBYWFGRZYDHKN-DLBZAZTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332808598 1149894952 /nfs/dbraw/zinc/89/49/52/1149894952.db2.gz VBBYWFGRZYDHKN-DLBZAZTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC001332900814 1149920013 /nfs/dbraw/zinc/92/00/13/1149920013.db2.gz WXMZGAXHFHDNFQ-IRXDYDNUSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432275 782708552 /nfs/dbraw/zinc/70/85/52/782708552.db2.gz TYBKZRLXXZITNQ-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971523666 777131119 /nfs/dbraw/zinc/13/11/19/777131119.db2.gz XJSLXJDOSYPSDL-GJZGRUSLSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971523666 777131122 /nfs/dbraw/zinc/13/11/22/777131122.db2.gz XJSLXJDOSYPSDL-GJZGRUSLSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971523666 777131125 /nfs/dbraw/zinc/13/11/25/777131125.db2.gz XJSLXJDOSYPSDL-GJZGRUSLSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971523666 777131129 /nfs/dbraw/zinc/13/11/29/777131129.db2.gz XJSLXJDOSYPSDL-GJZGRUSLSA-N 2 1 313.873 2.144 20 30 DEEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167700685 777897959 /nfs/dbraw/zinc/89/79/59/777897959.db2.gz SRJZWEKWHJJLEP-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682517 778021151 /nfs/dbraw/zinc/02/11/51/778021151.db2.gz UCYOKBAPISLXCG-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463403 /nfs/dbraw/zinc/46/34/03/778463403.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463404 /nfs/dbraw/zinc/46/34/04/778463404.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686888 778463406 /nfs/dbraw/zinc/46/34/06/778463406.db2.gz YJRKMNUVAXDHDJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373399 /nfs/dbraw/zinc/37/33/99/779373399.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373405 /nfs/dbraw/zinc/37/34/05/779373405.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601521 779373406 /nfs/dbraw/zinc/37/34/06/779373406.db2.gz VZAPGLGLUWNANW-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)[C@H]1CC ZINC001087601992 779375103 /nfs/dbraw/zinc/37/51/03/779375103.db2.gz SVNISGJQNMZWGJ-XHSDSOJGSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601992 779375107 /nfs/dbraw/zinc/37/51/07/779375107.db2.gz SVNISGJQNMZWGJ-XHSDSOJGSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601992 779375110 /nfs/dbraw/zinc/37/51/10/779375110.db2.gz SVNISGJQNMZWGJ-XHSDSOJGSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671954 779406223 /nfs/dbraw/zinc/40/62/23/779406223.db2.gz XBOWXIONXVCYKZ-KSZLIROESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088014144 779635078 /nfs/dbraw/zinc/63/50/78/779635078.db2.gz HSCPLQHBYZMDOX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014144 779635085 /nfs/dbraw/zinc/63/50/85/779635085.db2.gz HSCPLQHBYZMDOX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014144 779635090 /nfs/dbraw/zinc/63/50/90/779635090.db2.gz HSCPLQHBYZMDOX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088316581 779939930 /nfs/dbraw/zinc/93/99/30/779939930.db2.gz DLJQLPQHGCGKPH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001088336821 779988325 /nfs/dbraw/zinc/98/83/25/779988325.db2.gz NLDUXPFSYSHAHO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001088340978 779993932 /nfs/dbraw/zinc/99/39/32/779993932.db2.gz UAHZRMPSEMIAAR-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161880 781152554 /nfs/dbraw/zinc/15/25/54/781152554.db2.gz VCSYFHPXSBAPKD-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161880 781152556 /nfs/dbraw/zinc/15/25/56/781152556.db2.gz VCSYFHPXSBAPKD-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161880 781152558 /nfs/dbraw/zinc/15/25/58/781152558.db2.gz VCSYFHPXSBAPKD-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904968 783812056 /nfs/dbraw/zinc/81/20/56/783812056.db2.gz WELFRONIBHKHHV-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904967 783812113 /nfs/dbraw/zinc/81/21/13/783812113.db2.gz WELFRONIBHKHHV-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205356 783906014 /nfs/dbraw/zinc/90/60/14/783906014.db2.gz KTKZGLCYBRUNMB-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264157 783914370 /nfs/dbraw/zinc/91/43/70/783914370.db2.gz HHKDFWWRNKQRRI-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639817 783918238 /nfs/dbraw/zinc/91/82/38/783918238.db2.gz WPRCLXSGEYARBF-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639817 783918241 /nfs/dbraw/zinc/91/82/41/783918241.db2.gz WPRCLXSGEYARBF-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639817 783918244 /nfs/dbraw/zinc/91/82/44/783918244.db2.gz WPRCLXSGEYARBF-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639817 783918246 /nfs/dbraw/zinc/91/82/46/783918246.db2.gz WPRCLXSGEYARBF-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085688587 783967799 /nfs/dbraw/zinc/96/77/99/783967799.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688587 783967809 /nfs/dbraw/zinc/96/78/09/783967809.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085688587 783967811 /nfs/dbraw/zinc/96/78/11/783967811.db2.gz NQCXXYIYUUVTER-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374412 783969083 /nfs/dbraw/zinc/96/90/83/783969083.db2.gz BPMPOCJYWKMMKO-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778818 784067374 /nfs/dbraw/zinc/06/73/74/784067374.db2.gz IEXYDOOGEDZXGL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778818 784067383 /nfs/dbraw/zinc/06/73/83/784067383.db2.gz IEXYDOOGEDZXGL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778818 784067392 /nfs/dbraw/zinc/06/73/92/784067392.db2.gz IEXYDOOGEDZXGL-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778639 784067917 /nfs/dbraw/zinc/06/79/17/784067917.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778639 784067920 /nfs/dbraw/zinc/06/79/20/784067920.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778639 784067924 /nfs/dbraw/zinc/06/79/24/784067924.db2.gz CZSSHRHYKACQBA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887277 784638459 /nfs/dbraw/zinc/63/84/59/784638459.db2.gz ADHWJNFXCKFTIZ-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887277 784638464 /nfs/dbraw/zinc/63/84/64/784638464.db2.gz ADHWJNFXCKFTIZ-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968991001 784683551 /nfs/dbraw/zinc/68/35/51/784683551.db2.gz SZDOUNVJFCBLIP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991001 784683554 /nfs/dbraw/zinc/68/35/54/784683554.db2.gz SZDOUNVJFCBLIP-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007498327 784938169 /nfs/dbraw/zinc/93/81/69/784938169.db2.gz ZVTOJGFGLUOZTD-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498327 784938175 /nfs/dbraw/zinc/93/81/75/784938175.db2.gz ZVTOJGFGLUOZTD-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007498327 784938182 /nfs/dbraw/zinc/93/81/82/784938182.db2.gz ZVTOJGFGLUOZTD-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746758 785293231 /nfs/dbraw/zinc/29/32/31/785293231.db2.gz JNVDAMGWQBMJGQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563301 786159235 /nfs/dbraw/zinc/15/92/35/786159235.db2.gz PQOQKJSIGINPLQ-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113343764 786536343 /nfs/dbraw/zinc/53/63/43/786536343.db2.gz CEMKSAOPGHGQKJ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113343764 786536345 /nfs/dbraw/zinc/53/63/45/786536345.db2.gz CEMKSAOPGHGQKJ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001096015632 787449891 /nfs/dbraw/zinc/44/98/91/787449891.db2.gz MKMQOUZDWPUXGH-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001096015632 787449892 /nfs/dbraw/zinc/44/98/92/787449892.db2.gz MKMQOUZDWPUXGH-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001096015632 787449895 /nfs/dbraw/zinc/44/98/95/787449895.db2.gz MKMQOUZDWPUXGH-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549227 788131211 /nfs/dbraw/zinc/13/12/11/788131211.db2.gz IVJQMCIGQUSBJD-OIISXLGYSA-N 2 1 310.401 2.246 20 30 DEEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133186407 788311146 /nfs/dbraw/zinc/31/11/46/788311146.db2.gz UOWSBJLQZBPYJE-MSOLQXFVSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133225071 788322428 /nfs/dbraw/zinc/32/24/28/788322428.db2.gz GCUBHZZXWYBKMQ-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133313226 788365167 /nfs/dbraw/zinc/36/51/67/788365167.db2.gz BRVHVFCATBAADE-SWLSCSKDSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001074684356 791264571 /nfs/dbraw/zinc/26/45/71/791264571.db2.gz RIROQBJPDIFDEH-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147787885 791624744 /nfs/dbraw/zinc/62/47/44/791624744.db2.gz LETWPZAMENNBKQ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147787885 791624749 /nfs/dbraw/zinc/62/47/49/791624749.db2.gz LETWPZAMENNBKQ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001147787885 791624755 /nfs/dbraw/zinc/62/47/55/791624755.db2.gz LETWPZAMENNBKQ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754585 791800829 /nfs/dbraw/zinc/80/08/29/791800829.db2.gz DBFLQKDBWIOHJJ-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952750 791863505 /nfs/dbraw/zinc/86/35/05/791863505.db2.gz PHPODHTVYUGRHY-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875209 791971431 /nfs/dbraw/zinc/97/14/31/791971431.db2.gz ONMNZRGTRKAECD-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875209 791971440 /nfs/dbraw/zinc/97/14/40/791971440.db2.gz ONMNZRGTRKAECD-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875209 791971446 /nfs/dbraw/zinc/97/14/46/791971446.db2.gz ONMNZRGTRKAECD-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959622 792004269 /nfs/dbraw/zinc/00/42/69/792004269.db2.gz JPGWUYLEULLWJS-SCTDSRPQSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919188 792159453 /nfs/dbraw/zinc/15/94/53/792159453.db2.gz DQXUJOYTJSSLJC-GDBMZVCRSA-N 2 1 319.449 2.215 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544852 792236278 /nfs/dbraw/zinc/23/62/78/792236278.db2.gz WMXJZJBSOZAIMJ-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544852 792236284 /nfs/dbraw/zinc/23/62/84/792236284.db2.gz WMXJZJBSOZAIMJ-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544852 792236289 /nfs/dbraw/zinc/23/62/89/792236289.db2.gz WMXJZJBSOZAIMJ-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100345949 792604257 /nfs/dbraw/zinc/60/42/57/792604257.db2.gz ICKBTNRHLGLZRC-FHERZECASA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035882 792977891 /nfs/dbraw/zinc/97/78/91/792977891.db2.gz DAHOTRISTFENAE-VJFUWPCTSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560193 792978658 /nfs/dbraw/zinc/97/86/58/792978658.db2.gz NMTDGZWROCMYTR-SJLPKXTDSA-N 2 1 317.477 2.019 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101284903 793101673 /nfs/dbraw/zinc/10/16/73/793101673.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284903 793101679 /nfs/dbraw/zinc/10/16/79/793101679.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284903 793101682 /nfs/dbraw/zinc/10/16/82/793101682.db2.gz DTNCEFBGTPVAKR-APWZRJJASA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190000 793525029 /nfs/dbraw/zinc/52/50/29/793525029.db2.gz MPNMVIRHCXMNKG-NXHRZFHOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102188866 793525645 /nfs/dbraw/zinc/52/56/45/793525645.db2.gz KNHFDXSXUNLWML-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594287 /nfs/dbraw/zinc/59/42/87/793594287.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594292 /nfs/dbraw/zinc/59/42/92/793594292.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375306 793594297 /nfs/dbraw/zinc/59/42/97/793594297.db2.gz BQPDIDXPWJNMAX-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396737 794072453 /nfs/dbraw/zinc/07/24/53/794072453.db2.gz HNXDUSHAIAEDHQ-SJLPKXTDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398542 794073273 /nfs/dbraw/zinc/07/32/73/794073273.db2.gz XOCVMNQIWGSXNO-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704034 794278150 /nfs/dbraw/zinc/27/81/50/794278150.db2.gz QCQWLBXJONQDPH-INIZCTEOSA-N 2 1 318.465 2.260 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703750 794278426 /nfs/dbraw/zinc/27/84/26/794278426.db2.gz KVTCCQHHKQJNSV-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176164324 794375565 /nfs/dbraw/zinc/37/55/65/794375565.db2.gz AJNNXBGJODDVCJ-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869892 794507074 /nfs/dbraw/zinc/50/70/74/794507074.db2.gz OZVKGJKHSBMTTC-LNLFQRSKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143626 794689430 /nfs/dbraw/zinc/68/94/30/794689430.db2.gz IGPRMOYYXPLVMX-CBZIJGRNSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926455 795023673 /nfs/dbraw/zinc/02/36/73/795023673.db2.gz XCWNSHCUEAECPQ-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180375768 795285582 /nfs/dbraw/zinc/28/55/82/795285582.db2.gz QXMBWFQCJGGGEC-GOSISDBHSA-N 2 1 315.461 2.189 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120402880 795453355 /nfs/dbraw/zinc/45/33/55/795453355.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402880 795453360 /nfs/dbraw/zinc/45/33/60/795453360.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402880 795453365 /nfs/dbraw/zinc/45/33/65/795453365.db2.gz SUIZCZYWNGWHJA-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448624 795462385 /nfs/dbraw/zinc/46/23/85/795462385.db2.gz CPKIEXSNRITHNF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614983 795722023 /nfs/dbraw/zinc/72/20/23/795722023.db2.gz SXYYUJLYKIKEOH-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714296 796109360 /nfs/dbraw/zinc/10/93/60/796109360.db2.gz WWJHQWRCDWIMCB-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185316927 796228355 /nfs/dbraw/zinc/22/83/55/796228355.db2.gz KVCCPHQZFDPJID-MSOLQXFVSA-N 2 1 321.509 2.206 20 30 DEEDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C#N ZINC001139725422 796417010 /nfs/dbraw/zinc/41/70/10/796417010.db2.gz ORDRQYMMIGFYDP-RBUKOAKNSA-N 2 1 312.461 2.077 20 30 DEEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140543865 796537883 /nfs/dbraw/zinc/53/78/83/796537883.db2.gz VYAQEYKFZODUJM-UHFFFAOYSA-N 2 1 307.401 2.396 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188963666 796747596 /nfs/dbraw/zinc/74/75/96/796747596.db2.gz OHZNSMNEEMCKKN-YESZJQIVSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152529494 797199924 /nfs/dbraw/zinc/19/99/24/797199924.db2.gz PZFSADGBBJUGNH-RDJZCZTQSA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561732 797227947 /nfs/dbraw/zinc/22/79/47/797227947.db2.gz SMNRAMJUKVAZSX-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293308 797355329 /nfs/dbraw/zinc/35/53/29/797355329.db2.gz HRLXRDJEKYDFHN-LSDHHAIUSA-N 2 1 316.449 2.329 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153654441 797370981 /nfs/dbraw/zinc/37/09/81/797370981.db2.gz XDLSLTRCTQPTRV-CABCVRRESA-N 2 1 301.450 2.069 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(CC)CC ZINC001153867805 797414208 /nfs/dbraw/zinc/41/42/08/797414208.db2.gz GNSJRMRRHQCJTL-AEFFLSMTSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001153867805 797414214 /nfs/dbraw/zinc/41/42/14/797414214.db2.gz GNSJRMRRHQCJTL-AEFFLSMTSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153867805 797414217 /nfs/dbraw/zinc/41/42/17/797414217.db2.gz GNSJRMRRHQCJTL-AEFFLSMTSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(CC)CC ZINC001153867805 797414221 /nfs/dbraw/zinc/41/42/21/797414221.db2.gz GNSJRMRRHQCJTL-AEFFLSMTSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990823 797438740 /nfs/dbraw/zinc/43/87/40/797438740.db2.gz SSXOVKIKZMDNFJ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001155600850 797801633 /nfs/dbraw/zinc/80/16/33/797801633.db2.gz VXXMDSQUXVEEFO-SJKOYZFVSA-N 2 1 311.389 2.005 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157255850 798171163 /nfs/dbraw/zinc/17/11/63/798171163.db2.gz NBFXVBDLBSEZNS-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082324 798339766 /nfs/dbraw/zinc/33/97/66/798339766.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082324 798339771 /nfs/dbraw/zinc/33/97/71/798339771.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082324 798339777 /nfs/dbraw/zinc/33/97/77/798339777.db2.gz BRLYJQNIFBGLRY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158467256 798411706 /nfs/dbraw/zinc/41/17/06/798411706.db2.gz FKLQQTSBYQFYPI-SJORKVTESA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768596 798466267 /nfs/dbraw/zinc/46/62/67/798466267.db2.gz ZIHMWVSXMOAJPE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169443 798658198 /nfs/dbraw/zinc/65/81/98/798658198.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169443 798658199 /nfs/dbraw/zinc/65/81/99/798658199.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169443 798658200 /nfs/dbraw/zinc/65/82/00/798658200.db2.gz RPQRNCPONXIBCC-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160855955 798750223 /nfs/dbraw/zinc/75/02/23/798750223.db2.gz DRUAGVLJVNUQSZ-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133730 798800646 /nfs/dbraw/zinc/80/06/46/798800646.db2.gz NYVIYCDESKBDAB-QGZVFWFLSA-N 2 1 307.482 2.287 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161220082 798812426 /nfs/dbraw/zinc/81/24/26/798812426.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220082 798812430 /nfs/dbraw/zinc/81/24/30/798812430.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220082 798812434 /nfs/dbraw/zinc/81/24/34/798812434.db2.gz SURNDGDQOOQNPE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932557 798970845 /nfs/dbraw/zinc/97/08/45/798970845.db2.gz USHLXHGMVOQLNS-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531180 799617664 /nfs/dbraw/zinc/61/76/64/799617664.db2.gz AQRBSZKSNQBYDQ-IAGOWNOFSA-N 2 1 319.493 2.313 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641228 800098230 /nfs/dbraw/zinc/09/82/30/800098230.db2.gz PQWSCCSHPBSDEL-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205779588 800419015 /nfs/dbraw/zinc/41/90/15/800419015.db2.gz MHZADBSUBTUBJS-OAHLLOKOSA-N 2 1 322.403 2.452 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205779588 800419019 /nfs/dbraw/zinc/41/90/19/800419019.db2.gz MHZADBSUBTUBJS-OAHLLOKOSA-N 2 1 322.403 2.452 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206274837 800500537 /nfs/dbraw/zinc/50/05/37/800500537.db2.gz LOLHRYCAZFIYEA-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206288514 800502784 /nfs/dbraw/zinc/50/27/84/800502784.db2.gz UPBOJDJRTOLQGK-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857374 800607141 /nfs/dbraw/zinc/60/71/41/800607141.db2.gz KUVRKTCWOCFPPL-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206871413 800611796 /nfs/dbraw/zinc/61/17/96/800611796.db2.gz KRWUOJGBGWWBEX-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001206886499 800617938 /nfs/dbraw/zinc/61/79/38/800617938.db2.gz RBKBSFCMQWCJHX-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396370 800743117 /nfs/dbraw/zinc/74/31/17/800743117.db2.gz GWFZQCKWMFBPSV-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207436877 800752592 /nfs/dbraw/zinc/75/25/92/800752592.db2.gz VUUCCXWGKYFGMQ-GOSISDBHSA-N 2 1 321.465 2.097 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682134 800805724 /nfs/dbraw/zinc/80/57/24/800805724.db2.gz AYFHXRRHQVIKEI-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459907 800987618 /nfs/dbraw/zinc/98/76/18/800987618.db2.gz MIOFHRKPFZYTCC-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609946 801030995 /nfs/dbraw/zinc/03/09/95/801030995.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609946 801031000 /nfs/dbraw/zinc/03/10/00/801031000.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609946 801031005 /nfs/dbraw/zinc/03/10/05/801031005.db2.gz XPQBCBMRJFTWQJ-FGTMMUONSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209498418 801201509 /nfs/dbraw/zinc/20/15/09/801201509.db2.gz KFIGXZGHROHJSA-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209498418 801201513 /nfs/dbraw/zinc/20/15/13/801201513.db2.gz KFIGXZGHROHJSA-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209726106 801265065 /nfs/dbraw/zinc/26/50/65/801265065.db2.gz ORSLNBLSCJYIOF-SFHVURJKSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209726106 801265072 /nfs/dbraw/zinc/26/50/72/801265072.db2.gz ORSLNBLSCJYIOF-SFHVURJKSA-N 2 1 314.433 2.027 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210245154 801358410 /nfs/dbraw/zinc/35/84/10/801358410.db2.gz ZNQQKXTXMPFYKN-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210245154 801358416 /nfs/dbraw/zinc/35/84/16/801358416.db2.gz ZNQQKXTXMPFYKN-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210245154 801358423 /nfs/dbraw/zinc/35/84/23/801358423.db2.gz ZNQQKXTXMPFYKN-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210245154 801358429 /nfs/dbraw/zinc/35/84/29/801358429.db2.gz ZNQQKXTXMPFYKN-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230280386 801380973 /nfs/dbraw/zinc/38/09/73/801380973.db2.gz VWVHJBIODVANSW-KURKYZTESA-N 2 1 315.461 2.492 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585637 801426653 /nfs/dbraw/zinc/42/66/53/801426653.db2.gz RNQUMCYGWSAQAD-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598218 801432323 /nfs/dbraw/zinc/43/23/23/801432323.db2.gz IESPADSZPITMKY-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214853054 801767140 /nfs/dbraw/zinc/76/71/40/801767140.db2.gz QHXNRSZVZUFLPH-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861344 801768136 /nfs/dbraw/zinc/76/81/36/801768136.db2.gz RLBKOCQYPKNPNE-HLLBOEOZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711124 802605825 /nfs/dbraw/zinc/60/58/25/802605825.db2.gz ZLIAAZFCEGBROM-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001223507346 802796615 /nfs/dbraw/zinc/79/66/15/802796615.db2.gz QONSZGDAHKVLJR-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001328029103 1148702811 /nfs/dbraw/zinc/70/28/11/1148702811.db2.gz MLHKNWHXZOQCAJ-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC001368498306 1148468263 /nfs/dbraw/zinc/46/82/63/1148468263.db2.gz QCYKMDVLQQCRFX-AWEZNQCLSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001351165812 1151480937 /nfs/dbraw/zinc/48/09/37/1151480937.db2.gz QJVIGZWQLWWEGT-JZXOWHBKSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500381764 1058737120 /nfs/dbraw/zinc/73/71/20/1058737120.db2.gz DQLSTWOPSXSXQE-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001566069506 1060471910 /nfs/dbraw/zinc/47/19/10/1060471910.db2.gz ZETLRNIFLKATJW-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001505435189 1060594437 /nfs/dbraw/zinc/59/44/37/1060594437.db2.gz DETASDXIMHKFQI-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001505435189 1060594460 /nfs/dbraw/zinc/59/44/60/1060594460.db2.gz DETASDXIMHKFQI-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001505435189 1060594475 /nfs/dbraw/zinc/59/44/75/1060594475.db2.gz DETASDXIMHKFQI-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479314823 1061387587 /nfs/dbraw/zinc/38/75/87/1061387587.db2.gz VYVDMSFXLCAGMY-NXOAAHMSSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001479527711 1061494195 /nfs/dbraw/zinc/49/41/95/1061494195.db2.gz IUPYTSUADTVVGH-ROUUACIJSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001479527706 1061494947 /nfs/dbraw/zinc/49/49/47/1061494947.db2.gz IUPYTSUADTVVGH-QZTJIDSGSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001479986055 1062148554 /nfs/dbraw/zinc/14/85/54/1062148554.db2.gz CFDIURQADFGQRB-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088544 1062306818 /nfs/dbraw/zinc/30/68/18/1062306818.db2.gz JDNDXVNRAGAPAC-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480088544 1062306839 /nfs/dbraw/zinc/30/68/39/1062306839.db2.gz JDNDXVNRAGAPAC-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480088544 1062306861 /nfs/dbraw/zinc/30/68/61/1062306861.db2.gz JDNDXVNRAGAPAC-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001506863885 1062448028 /nfs/dbraw/zinc/44/80/28/1062448028.db2.gz BEPBYODNNNGCRY-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001506885418 1062472015 /nfs/dbraw/zinc/47/20/15/1062472015.db2.gz PJUICBREGKVWPU-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001480270016 1062575549 /nfs/dbraw/zinc/57/55/49/1062575549.db2.gz UNVZQKZEADSCTF-GOSISDBHSA-N 2 1 319.493 2.104 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001507027625 1062692574 /nfs/dbraw/zinc/69/25/74/1062692574.db2.gz RKLOFCOTRZSCPZ-ROUUACIJSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507349596 1063139333 /nfs/dbraw/zinc/13/93/33/1063139333.db2.gz WAGRKLBZFUVKFR-MAUKXSAKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001508064079 1063528627 /nfs/dbraw/zinc/52/86/27/1063528627.db2.gz HYBAQXHOHNJZKA-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493237743 1063658667 /nfs/dbraw/zinc/65/86/67/1063658667.db2.gz SCEJEBBUWANTMP-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493237743 1063658675 /nfs/dbraw/zinc/65/86/75/1063658675.db2.gz SCEJEBBUWANTMP-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493966752 1064048577 /nfs/dbraw/zinc/04/85/77/1064048577.db2.gz GHAZSZAXHWZVOE-QZTJIDSGSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493972051 1064052297 /nfs/dbraw/zinc/05/22/97/1064052297.db2.gz SGXMVPVMUQZQLV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001493972051 1064052313 /nfs/dbraw/zinc/05/23/13/1064052313.db2.gz SGXMVPVMUQZQLV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493972051 1064052325 /nfs/dbraw/zinc/05/23/25/1064052325.db2.gz SGXMVPVMUQZQLV-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567386914 1064175500 /nfs/dbraw/zinc/17/55/00/1064175500.db2.gz POYVLSVUJXXIAJ-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699520 1064355805 /nfs/dbraw/zinc/35/58/05/1064355805.db2.gz MMKXQCXMMWSNDF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001567701701 1064358690 /nfs/dbraw/zinc/35/86/90/1064358690.db2.gz NDZAKJFWYNXUNX-CQSZACIVSA-N 2 1 321.490 2.438 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001494636102 1064372304 /nfs/dbraw/zinc/37/23/04/1064372304.db2.gz UKLUXCUOJZSEIB-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001494636102 1064372318 /nfs/dbraw/zinc/37/23/18/1064372318.db2.gz UKLUXCUOJZSEIB-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976829 1064574941 /nfs/dbraw/zinc/57/49/41/1064574941.db2.gz KQGSLOPWSNDOJW-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@H]1C ZINC001568043479 1064615052 /nfs/dbraw/zinc/61/50/52/1064615052.db2.gz KWMVYZLQVUPTAH-AEFFLSMTSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001568114809 1064653473 /nfs/dbraw/zinc/65/34/73/1064653473.db2.gz PDVDPVQFZQXERX-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC001568348820 1064794288 /nfs/dbraw/zinc/79/42/88/1064794288.db2.gz KBGWDTAGXNHFSP-QGZVFWFLSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001568535576 1064946856 /nfs/dbraw/zinc/94/68/56/1064946856.db2.gz FQRVDRHVOACOAB-JKSUJKDBSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001568537625 1064947928 /nfs/dbraw/zinc/94/79/28/1064947928.db2.gz SOQZBFGHHJGDFD-HUUCEWRRSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001496706024 1065661501 /nfs/dbraw/zinc/66/15/01/1065661501.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001496706024 1065661506 /nfs/dbraw/zinc/66/15/06/1065661506.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001496706024 1065661512 /nfs/dbraw/zinc/66/15/12/1065661512.db2.gz YWQLJVQNLDUSEH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001496782241 1065708478 /nfs/dbraw/zinc/70/84/78/1065708478.db2.gz XUKBUAROKUYDCW-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001496782241 1065708491 /nfs/dbraw/zinc/70/84/91/1065708491.db2.gz XUKBUAROKUYDCW-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001496782241 1065708500 /nfs/dbraw/zinc/70/85/00/1065708500.db2.gz XUKBUAROKUYDCW-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001496917553 1065805387 /nfs/dbraw/zinc/80/53/87/1065805387.db2.gz MLCBOEOVTOMEFC-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001570448645 1066076989 /nfs/dbraw/zinc/07/69/89/1066076989.db2.gz GKLGKIZKEWZJGZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309156 1148520033 /nfs/dbraw/zinc/52/00/33/1148520033.db2.gz UJFMJVWMICSRDM-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094989 1067089276 /nfs/dbraw/zinc/08/92/76/1067089276.db2.gz HPCMTNPTADTJPB-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001499702817 1067304453 /nfs/dbraw/zinc/30/44/53/1067304453.db2.gz KKWSOSRYFSURGM-HNNXBMFYSA-N 2 1 305.466 2.112 20 30 DEEDMP C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1CC[NH3+] ZINC001579440199 1067341785 /nfs/dbraw/zinc/34/17/85/1067341785.db2.gz PKRRZDKIGRPQTC-DGCLKSJQSA-N 2 1 320.824 2.067 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066599 1067487744 /nfs/dbraw/zinc/48/77/44/1067487744.db2.gz OJNNJDAWXYNOGZ-RDJZCZTQSA-N 2 1 314.389 2.417 20 30 DEEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001580066599 1067487749 /nfs/dbraw/zinc/48/77/49/1067487749.db2.gz OJNNJDAWXYNOGZ-RDJZCZTQSA-N 2 1 314.389 2.417 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001279565991 1078549309 /nfs/dbraw/zinc/54/93/09/1078549309.db2.gz VJQCNIOBUPRUAN-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001483492562 1078567313 /nfs/dbraw/zinc/56/73/13/1078567313.db2.gz FVOLNHJWTKTMGN-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576229 1078596692 /nfs/dbraw/zinc/59/66/92/1078596692.db2.gz LTPJQLHKZPHMDL-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001279576229 1078596699 /nfs/dbraw/zinc/59/66/99/1078596699.db2.gz LTPJQLHKZPHMDL-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001279576229 1078596711 /nfs/dbraw/zinc/59/67/11/1078596711.db2.gz LTPJQLHKZPHMDL-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570544593 1067996507 /nfs/dbraw/zinc/99/65/07/1067996507.db2.gz ZJVWWDNSDRLZDX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570544593 1067996511 /nfs/dbraw/zinc/99/65/11/1067996511.db2.gz ZJVWWDNSDRLZDX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001570544593 1067996518 /nfs/dbraw/zinc/99/65/18/1067996518.db2.gz ZJVWWDNSDRLZDX-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001570714569 1068087403 /nfs/dbraw/zinc/08/74/03/1068087403.db2.gz RCTWQFMKPHIUCU-CYBMUJFWSA-N 2 1 309.479 2.436 20 30 DEEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570813969 1068125587 /nfs/dbraw/zinc/12/55/87/1068125587.db2.gz JTNURODPJMRERF-CVEARBPZSA-N 2 1 318.465 2.205 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001329229869 1148876716 /nfs/dbraw/zinc/87/67/16/1148876716.db2.gz CIDYMIBUAQPNKK-LXPRWKDFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273207 1078719078 /nfs/dbraw/zinc/71/90/78/1078719078.db2.gz CLMHTOMOFQPOLC-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001267547408 1078977633 /nfs/dbraw/zinc/97/76/33/1078977633.db2.gz XERVRGIHLPJLGT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483800907 1079129329 /nfs/dbraw/zinc/12/93/29/1079129329.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800907 1079129331 /nfs/dbraw/zinc/12/93/31/1079129331.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800907 1079129334 /nfs/dbraw/zinc/12/93/34/1079129334.db2.gz FDXRHJNKDABBBF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001483846245 1079148340 /nfs/dbraw/zinc/14/83/40/1079148340.db2.gz FWDLOSFUOUXEHO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846245 1079148352 /nfs/dbraw/zinc/14/83/52/1079148352.db2.gz FWDLOSFUOUXEHO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846245 1079148357 /nfs/dbraw/zinc/14/83/57/1079148357.db2.gz FWDLOSFUOUXEHO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001483959646 1079204917 /nfs/dbraw/zinc/20/49/17/1079204917.db2.gz ZTTZSJIJTAGIOV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001267615056 1079225495 /nfs/dbraw/zinc/22/54/95/1079225495.db2.gz FTAHLDKFTBEFJI-RBSFLKMASA-N 2 1 302.422 2.060 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001566130998 1075235044 /nfs/dbraw/zinc/23/50/44/1075235044.db2.gz FOKAHPPWNBOJNB-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001566486957 1075258181 /nfs/dbraw/zinc/25/81/81/1075258181.db2.gz NGNMHVDYXTYSFC-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001566486957 1075258183 /nfs/dbraw/zinc/25/81/83/1075258183.db2.gz NGNMHVDYXTYSFC-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001566497906 1075262148 /nfs/dbraw/zinc/26/21/48/1075262148.db2.gz LOOURXUTNMLFSS-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001566497906 1075262150 /nfs/dbraw/zinc/26/21/50/1075262150.db2.gz LOOURXUTNMLFSS-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566632939 1075302197 /nfs/dbraw/zinc/30/21/97/1075302197.db2.gz HGXVZAOULOCOJL-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001566745544 1075332811 /nfs/dbraw/zinc/33/28/11/1075332811.db2.gz OLWMXSBJMTZMLR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001566745544 1075332812 /nfs/dbraw/zinc/33/28/12/1075332812.db2.gz OLWMXSBJMTZMLR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001566745544 1075332816 /nfs/dbraw/zinc/33/28/16/1075332816.db2.gz OLWMXSBJMTZMLR-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001566893960 1075376747 /nfs/dbraw/zinc/37/67/47/1075376747.db2.gz SCMJKALMZHMADY-HOTGVXAUSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001566947932 1075395911 /nfs/dbraw/zinc/39/59/11/1075395911.db2.gz NBJPYYYIEDBDFT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001566972839 1075405831 /nfs/dbraw/zinc/40/58/31/1075405831.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001566972839 1075405836 /nfs/dbraw/zinc/40/58/36/1075405836.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001566972839 1075405842 /nfs/dbraw/zinc/40/58/42/1075405842.db2.gz NHUXMSYWIUWUMM-ZBRFXRBCSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001566987786 1075409166 /nfs/dbraw/zinc/40/91/66/1075409166.db2.gz LSMJEPCZIYTYEV-GTPINHCMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753844 1079454530 /nfs/dbraw/zinc/45/45/30/1079454530.db2.gz OOANATNAGKNFRS-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001329460270 1148897214 /nfs/dbraw/zinc/89/72/14/1148897214.db2.gz PXMCDTBADKYQIE-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001329460270 1148897216 /nfs/dbraw/zinc/89/72/16/1148897216.db2.gz PXMCDTBADKYQIE-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001329460270 1148897219 /nfs/dbraw/zinc/89/72/19/1148897219.db2.gz PXMCDTBADKYQIE-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1 ZINC001481368662 1079761015 /nfs/dbraw/zinc/76/10/15/1079761015.db2.gz HLZFPSGGRQDMCN-OAHLLOKOSA-N 2 1 309.841 2.138 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481409831 1079798227 /nfs/dbraw/zinc/79/82/27/1079798227.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481409831 1079798232 /nfs/dbraw/zinc/79/82/32/1079798232.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481409831 1079798240 /nfs/dbraw/zinc/79/82/40/1079798240.db2.gz ULFDLQHBIHWGEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481439292 1079849585 /nfs/dbraw/zinc/84/95/85/1079849585.db2.gz UGLHDVCIYXADQU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439292 1079849592 /nfs/dbraw/zinc/84/95/92/1079849592.db2.gz UGLHDVCIYXADQU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439292 1079849594 /nfs/dbraw/zinc/84/95/94/1079849594.db2.gz UGLHDVCIYXADQU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001484986984 1079900606 /nfs/dbraw/zinc/90/06/06/1079900606.db2.gz WNSMDWQZKPGSOP-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001484986984 1079900610 /nfs/dbraw/zinc/90/06/10/1079900610.db2.gz WNSMDWQZKPGSOP-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485031200 1079924542 /nfs/dbraw/zinc/92/45/42/1079924542.db2.gz VGCUNINUGHPWKH-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001268044394 1079925341 /nfs/dbraw/zinc/92/53/41/1079925341.db2.gz AIAFSACSKSCLAR-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489336 1079946928 /nfs/dbraw/zinc/94/69/28/1079946928.db2.gz PKXLNUFMMITTSY-SJORKVTESA-N 2 1 309.498 2.319 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001485075475 1079959378 /nfs/dbraw/zinc/95/93/78/1079959378.db2.gz GJRZEFUUGKBHKF-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001656109947 1080046910 /nfs/dbraw/zinc/04/69/10/1080046910.db2.gz VMPQVIYLCJYAMZ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001656225291 1080069689 /nfs/dbraw/zinc/06/96/89/1080069689.db2.gz HGZMLBBITFEZEB-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656909917 1080138501 /nfs/dbraw/zinc/13/85/01/1080138501.db2.gz SOIHSQYVGVFMFQ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCCCC1 ZINC001485455973 1080216744 /nfs/dbraw/zinc/21/67/44/1080216744.db2.gz CTJXVGKUTFBOSX-UHFFFAOYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268251811 1080231065 /nfs/dbraw/zinc/23/10/65/1080231065.db2.gz PRUOENAILVISIK-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268251811 1080231071 /nfs/dbraw/zinc/23/10/71/1080231071.db2.gz PRUOENAILVISIK-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268251811 1080231087 /nfs/dbraw/zinc/23/10/87/1080231087.db2.gz PRUOENAILVISIK-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485470522 1080235653 /nfs/dbraw/zinc/23/56/53/1080235653.db2.gz YDXONIPMXZMWNH-HOTGVXAUSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001660277377 1080300320 /nfs/dbraw/zinc/30/03/20/1080300320.db2.gz GASIUMYGJZGZCQ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001660277377 1080300324 /nfs/dbraw/zinc/30/03/24/1080300324.db2.gz GASIUMYGJZGZCQ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001660277377 1080300333 /nfs/dbraw/zinc/30/03/33/1080300333.db2.gz GASIUMYGJZGZCQ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001485666582 1080355444 /nfs/dbraw/zinc/35/54/44/1080355444.db2.gz POIVYJVQFVUYSW-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001485666582 1080355449 /nfs/dbraw/zinc/35/54/49/1080355449.db2.gz POIVYJVQFVUYSW-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001485666582 1080355454 /nfs/dbraw/zinc/35/54/54/1080355454.db2.gz POIVYJVQFVUYSW-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661035324 1080431910 /nfs/dbraw/zinc/43/19/10/1080431910.db2.gz SKHRUDPBOGUMIK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661035324 1080431916 /nfs/dbraw/zinc/43/19/16/1080431916.db2.gz SKHRUDPBOGUMIK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661035324 1080431918 /nfs/dbraw/zinc/43/19/18/1080431918.db2.gz SKHRUDPBOGUMIK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661035324 1080431923 /nfs/dbraw/zinc/43/19/23/1080431923.db2.gz SKHRUDPBOGUMIK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001272733265 1080514137 /nfs/dbraw/zinc/51/41/37/1080514137.db2.gz AFVLCVSBJPOXRX-WKILWMFISA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099553884 1080525127 /nfs/dbraw/zinc/52/51/27/1080525127.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553884 1080525134 /nfs/dbraw/zinc/52/51/34/1080525134.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099553884 1080525139 /nfs/dbraw/zinc/52/51/39/1080525139.db2.gz WLSLEGYJGVLOKE-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001662142306 1080574017 /nfs/dbraw/zinc/57/40/17/1080574017.db2.gz NQTJOKUNLLDRFP-DAWZGUTISA-N 2 1 315.461 2.492 20 30 DEEDMP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@@H]1C ZINC001481964832 1080656762 /nfs/dbraw/zinc/65/67/62/1080656762.db2.gz TWVYRLRFJVIKOR-WMZOPIPTSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663548651 1080773433 /nfs/dbraw/zinc/77/34/33/1080773433.db2.gz UYESRBSPXGVNSO-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001664678019 1080940965 /nfs/dbraw/zinc/94/09/65/1080940965.db2.gz JYROHQDNNRCRCK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001664678019 1080940971 /nfs/dbraw/zinc/94/09/71/1080940971.db2.gz JYROHQDNNRCRCK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001664678019 1080940977 /nfs/dbraw/zinc/94/09/77/1080940977.db2.gz JYROHQDNNRCRCK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001665019389 1080983456 /nfs/dbraw/zinc/98/34/56/1080983456.db2.gz SGUBTFPWKALVFG-LSDHHAIUSA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001665567198 1081040839 /nfs/dbraw/zinc/04/08/39/1081040839.db2.gz OOWNQMCZAMAJBE-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001665567198 1081040847 /nfs/dbraw/zinc/04/08/47/1081040847.db2.gz OOWNQMCZAMAJBE-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001665567198 1081040853 /nfs/dbraw/zinc/04/08/53/1081040853.db2.gz OOWNQMCZAMAJBE-LTIDMASMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001667285478 1081233694 /nfs/dbraw/zinc/23/36/94/1081233694.db2.gz SBIPJVFWAGRPGN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403612 1081239443 /nfs/dbraw/zinc/23/94/43/1081239443.db2.gz YGUPLQJOYZAMJF-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001667416581 1081250642 /nfs/dbraw/zinc/25/06/42/1081250642.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001667416581 1081250646 /nfs/dbraw/zinc/25/06/46/1081250646.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001667416581 1081250649 /nfs/dbraw/zinc/25/06/49/1081250649.db2.gz AJFHEALIONLICR-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667488716 1081257345 /nfs/dbraw/zinc/25/73/45/1081257345.db2.gz MWKQIZIMJOKCQF-RDJZCZTQSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667488714 1081257560 /nfs/dbraw/zinc/25/75/60/1081257560.db2.gz MWKQIZIMJOKCQF-DOTOQJQBSA-N 2 1 318.465 2.060 20 30 DEEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001668118541 1081317809 /nfs/dbraw/zinc/31/78/09/1081317809.db2.gz WIRPOOFTTIRWTI-HNNXBMFYSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001269913070 1081397902 /nfs/dbraw/zinc/39/79/02/1081397902.db2.gz FFEIXJIPKGHDEW-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001269971355 1081413188 /nfs/dbraw/zinc/41/31/88/1081413188.db2.gz GNQOZNMPLDVGEL-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001269972904 1081413513 /nfs/dbraw/zinc/41/35/13/1081413513.db2.gz PWRUZJHVRJDYFT-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001668994906 1081416946 /nfs/dbraw/zinc/41/69/46/1081416946.db2.gz CUMKIFNLEIRDFT-JTHGQSKGSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001270011129 1081426992 /nfs/dbraw/zinc/42/69/92/1081426992.db2.gz RCQQIDBMOYWSKU-LUKYLMHMSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001270066422 1081441597 /nfs/dbraw/zinc/44/15/97/1081441597.db2.gz KFQPWINDAMKORB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001280163756 1081451066 /nfs/dbraw/zinc/45/10/66/1081451066.db2.gz KUEFRICRHUAWMP-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001671748355 1081536432 /nfs/dbraw/zinc/53/64/32/1081536432.db2.gz SWNIUPAPHCMXSC-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671748354 1081536516 /nfs/dbraw/zinc/53/65/16/1081536516.db2.gz SWNIUPAPHCMXSC-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000952406512 1081705776 /nfs/dbraw/zinc/70/57/76/1081705776.db2.gz CTXUJVVWIILRNP-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000952406512 1081705781 /nfs/dbraw/zinc/70/57/81/1081705781.db2.gz CTXUJVVWIILRNP-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001672937664 1081724505 /nfs/dbraw/zinc/72/45/05/1081724505.db2.gz MSLOHPRVEIPNMS-MAUKXSAKSA-N 2 1 313.445 2.071 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001673201970 1081745591 /nfs/dbraw/zinc/74/55/91/1081745591.db2.gz PUGHMGOBYQIJBT-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001673241950 1081749107 /nfs/dbraw/zinc/74/91/07/1081749107.db2.gz JGVOAPZXBUWEPQ-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001673934094 1081817079 /nfs/dbraw/zinc/81/70/79/1081817079.db2.gz SVAVPVZTCHPFEP-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001673934094 1081817092 /nfs/dbraw/zinc/81/70/92/1081817092.db2.gz SVAVPVZTCHPFEP-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017719 1081877452 /nfs/dbraw/zinc/87/74/52/1081877452.db2.gz VJWHQGUHEXZPEA-LJQANCHMSA-N 2 1 319.493 2.104 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482451247 1081889315 /nfs/dbraw/zinc/88/93/15/1081889315.db2.gz STHCWQJUKIXZIB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(CC)CC)C1 ZINC001674551172 1081889556 /nfs/dbraw/zinc/88/95/56/1081889556.db2.gz MFSXOYLJNKLNKO-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(CC)CC)C1 ZINC001674551172 1081889564 /nfs/dbraw/zinc/88/95/64/1081889564.db2.gz MFSXOYLJNKLNKO-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251636 1081917669 /nfs/dbraw/zinc/91/76/69/1081917669.db2.gz DTNNUOAYKIEJPF-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373807 1082005519 /nfs/dbraw/zinc/00/55/19/1082005519.db2.gz LXHHJCJVDDERGN-KRWDZBQOSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266463873 1082053467 /nfs/dbraw/zinc/05/34/67/1082053467.db2.gz QJBPOJAEOSMENU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266466396 1082055439 /nfs/dbraw/zinc/05/54/39/1082055439.db2.gz NYMUGPZSJHDMCH-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001271717914 1082118314 /nfs/dbraw/zinc/11/83/14/1082118314.db2.gz YAYOTEAQWGSENJ-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482495092 1082121073 /nfs/dbraw/zinc/12/10/73/1082121073.db2.gz PWFZVAVCHNGBOA-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC2CC2)CC1 ZINC001671499807 1082159783 /nfs/dbraw/zinc/15/97/83/1082159783.db2.gz JOVRJCCCBZCQBQ-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266565383 1082163062 /nfs/dbraw/zinc/16/30/62/1082163062.db2.gz WAHYFNLORVEYJV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266565383 1082163064 /nfs/dbraw/zinc/16/30/64/1082163064.db2.gz WAHYFNLORVEYJV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266565383 1082163067 /nfs/dbraw/zinc/16/30/67/1082163067.db2.gz WAHYFNLORVEYJV-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001271891205 1082182338 /nfs/dbraw/zinc/18/23/38/1082182338.db2.gz IEBLILRXYPWMOX-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271891205 1082182345 /nfs/dbraw/zinc/18/23/45/1082182345.db2.gz IEBLILRXYPWMOX-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001271891205 1082182346 /nfs/dbraw/zinc/18/23/46/1082182346.db2.gz IEBLILRXYPWMOX-OKZBNKHCSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001482537582 1082183919 /nfs/dbraw/zinc/18/39/19/1082183919.db2.gz DXZIWTCSFKLHJL-QGZVFWFLSA-N 2 1 321.509 2.393 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266749905 1082319305 /nfs/dbraw/zinc/31/93/05/1082319305.db2.gz OGRYLSXILWSQHE-FUHWJXTLSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001671679003 1082442800 /nfs/dbraw/zinc/44/28/00/1082442800.db2.gz QZXOCRILGLXRJQ-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@H]21 ZINC001482669279 1082451878 /nfs/dbraw/zinc/45/18/78/1082451878.db2.gz YYAKGPDIIVCKKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001482669279 1082451879 /nfs/dbraw/zinc/45/18/79/1082451879.db2.gz YYAKGPDIIVCKKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001482669279 1082451880 /nfs/dbraw/zinc/45/18/80/1082451880.db2.gz YYAKGPDIIVCKKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001277375475 1083933356 /nfs/dbraw/zinc/93/33/56/1083933356.db2.gz CWEXAGCHYXMKOJ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001277586739 1084046718 /nfs/dbraw/zinc/04/67/18/1084046718.db2.gz DQTKAVWOAINUFY-DOTOQJQBSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729595 1084163366 /nfs/dbraw/zinc/16/33/66/1084163366.db2.gz LKWGBEQTWVXYBP-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298504 1084221360 /nfs/dbraw/zinc/22/13/60/1084221360.db2.gz CFFFVYLZPDUJDS-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298504 1084221367 /nfs/dbraw/zinc/22/13/67/1084221367.db2.gz CFFFVYLZPDUJDS-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001272837265 1084360155 /nfs/dbraw/zinc/36/01/55/1084360155.db2.gz GCSXVMISMFFURX-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001272837265 1084360170 /nfs/dbraw/zinc/36/01/70/1084360170.db2.gz GCSXVMISMFFURX-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001272837706 1084360636 /nfs/dbraw/zinc/36/06/36/1084360636.db2.gz LBXAOHHRWWLARI-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001272837706 1084360647 /nfs/dbraw/zinc/36/06/47/1084360647.db2.gz LBXAOHHRWWLARI-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](CCCC#N)CC3)n(C)n1 ZINC001277945304 1084429218 /nfs/dbraw/zinc/42/92/18/1084429218.db2.gz VMYHVIZNLSYSML-UHFFFAOYSA-N 2 1 315.465 2.320 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001486146250 1085090367 /nfs/dbraw/zinc/09/03/67/1085090367.db2.gz MKQNYRVMWQLEQO-SOLBZPMBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960287890 1085182383 /nfs/dbraw/zinc/18/23/83/1085182383.db2.gz IRALVHNTAPHQPD-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960287890 1085182393 /nfs/dbraw/zinc/18/23/93/1085182393.db2.gz IRALVHNTAPHQPD-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960287890 1085182407 /nfs/dbraw/zinc/18/24/07/1085182407.db2.gz IRALVHNTAPHQPD-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001486525645 1085408529 /nfs/dbraw/zinc/40/85/29/1085408529.db2.gz SDJXTHYQQHZFIP-MRXNPFEDSA-N 2 1 319.424 2.059 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180374 1085626859 /nfs/dbraw/zinc/62/68/59/1085626859.db2.gz GRZMAHPWJCAIFC-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180376 1085627053 /nfs/dbraw/zinc/62/70/53/1085627053.db2.gz GRZMAHPWJCAIFC-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144789 1086815136 /nfs/dbraw/zinc/81/51/36/1086815136.db2.gz SPXAAOIWEFECCX-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC001114499919 1088178578 /nfs/dbraw/zinc/17/85/78/1088178578.db2.gz YXJQCAJWOTTXHW-PIIMJCKOSA-N 2 1 324.428 2.269 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310898 1088807671 /nfs/dbraw/zinc/80/76/71/1088807671.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310898 1088807692 /nfs/dbraw/zinc/80/76/92/1088807692.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310898 1088807711 /nfs/dbraw/zinc/80/77/11/1088807711.db2.gz IPSGFCVQTDIBBS-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310897 1088808206 /nfs/dbraw/zinc/80/82/06/1088808206.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310897 1088808224 /nfs/dbraw/zinc/80/82/24/1088808224.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310897 1088808246 /nfs/dbraw/zinc/80/82/46/1088808246.db2.gz IPSGFCVQTDIBBS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080755981 1089173892 /nfs/dbraw/zinc/17/38/92/1089173892.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080755981 1089173899 /nfs/dbraw/zinc/17/38/99/1089173899.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080755981 1089173907 /nfs/dbraw/zinc/17/39/07/1089173907.db2.gz DTIKMMDSOIXTKD-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619194 1089334382 /nfs/dbraw/zinc/33/43/82/1089334382.db2.gz RUXLEGSXYPLRIC-FVQHAEBGSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559432 1090006772 /nfs/dbraw/zinc/00/67/72/1090006772.db2.gz FKJDKXBXMQFPEM-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852103 1090090322 /nfs/dbraw/zinc/09/03/22/1090090322.db2.gz TYZDEXQVBYGGMO-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084339892 1090270503 /nfs/dbraw/zinc/27/05/03/1090270503.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084339892 1090270509 /nfs/dbraw/zinc/27/05/09/1090270509.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084339892 1090270518 /nfs/dbraw/zinc/27/05/18/1090270518.db2.gz MLELFLUIPHQONU-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752112 1090423699 /nfs/dbraw/zinc/42/36/99/1090423699.db2.gz UACSFQKAEAGZRT-QZTJIDSGSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101207 1090645601 /nfs/dbraw/zinc/64/56/01/1090645601.db2.gz HAWDTNHIYFUZPB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101207 1090645604 /nfs/dbraw/zinc/64/56/04/1090645604.db2.gz HAWDTNHIYFUZPB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101207 1090645607 /nfs/dbraw/zinc/64/56/07/1090645607.db2.gz HAWDTNHIYFUZPB-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001275588952 1091891657 /nfs/dbraw/zinc/89/16/57/1091891657.db2.gz JONKQKUHEGBDJW-UHFFFAOYSA-N 2 1 318.490 2.079 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767716 1091925222 /nfs/dbraw/zinc/92/52/22/1091925222.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767716 1091925231 /nfs/dbraw/zinc/92/52/31/1091925231.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767716 1091925238 /nfs/dbraw/zinc/92/52/38/1091925238.db2.gz ZRNIZCODWHIATH-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001273565763 1091926037 /nfs/dbraw/zinc/92/60/37/1091926037.db2.gz IYNCTDQVDCUFFE-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001273565763 1091926046 /nfs/dbraw/zinc/92/60/46/1091926046.db2.gz IYNCTDQVDCUFFE-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001273565763 1091926055 /nfs/dbraw/zinc/92/60/55/1091926055.db2.gz IYNCTDQVDCUFFE-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001273565764 1091926168 /nfs/dbraw/zinc/92/61/68/1091926168.db2.gz IYNCTDQVDCUFFE-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001273565764 1091926174 /nfs/dbraw/zinc/92/61/74/1091926174.db2.gz IYNCTDQVDCUFFE-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001273565764 1091926184 /nfs/dbraw/zinc/92/61/84/1091926184.db2.gz IYNCTDQVDCUFFE-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541876 1091958950 /nfs/dbraw/zinc/95/89/50/1091958950.db2.gz CPMSOOBAOKQKOT-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829403 1091960115 /nfs/dbraw/zinc/96/01/15/1091960115.db2.gz MMVPTXHADPJNEK-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC001275829399 1092191746 /nfs/dbraw/zinc/19/17/46/1092191746.db2.gz ZTFYYECELUAGGV-YQQQUEKLSA-N 2 1 312.461 2.205 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001488960242 1092828488 /nfs/dbraw/zinc/82/84/88/1092828488.db2.gz GUFHTUGTQXEJRJ-GVDBMIGSSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1CC ZINC001489141956 1092950965 /nfs/dbraw/zinc/95/09/65/1092950965.db2.gz STXGHMJJIMEHFC-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1CC ZINC001489141956 1092950974 /nfs/dbraw/zinc/95/09/74/1092950974.db2.gz STXGHMJJIMEHFC-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1CC ZINC001489141956 1092950986 /nfs/dbraw/zinc/95/09/86/1092950986.db2.gz STXGHMJJIMEHFC-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1CC ZINC001489141956 1092950998 /nfs/dbraw/zinc/95/09/98/1092950998.db2.gz STXGHMJJIMEHFC-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490774306 1093523008 /nfs/dbraw/zinc/52/30/08/1093523008.db2.gz IATAQXIGPLRLIT-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490777148 1093526242 /nfs/dbraw/zinc/52/62/42/1093526242.db2.gz NAXJTJDOUSDGDN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491752209 1140295779 /nfs/dbraw/zinc/29/57/79/1140295779.db2.gz VNWVGBKZNHOBEJ-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001319460453 1140583462 /nfs/dbraw/zinc/58/34/62/1140583462.db2.gz MTSAPJSGDGZUQD-CABCVRRESA-N 2 1 306.454 2.409 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024327 1140849108 /nfs/dbraw/zinc/84/91/08/1140849108.db2.gz UTAHIABLYQNQOX-IRXDYDNUSA-N 2 1 300.487 2.274 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001246306324 1140882992 /nfs/dbraw/zinc/88/29/92/1140882992.db2.gz VWANIGHFFDCCSW-CKDBGZEDSA-N 2 1 307.438 2.275 20 30 DEEDMP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH2+]CCC[NH3+])CC1 ZINC001246455067 1140905319 /nfs/dbraw/zinc/90/53/19/1140905319.db2.gz WHSYZYZCPRIFGI-UHFFFAOYSA-N 3 1 314.477 2.309 20 30 DEEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246526215 1140936848 /nfs/dbraw/zinc/93/68/48/1140936848.db2.gz NXJQOMOUMQPYEV-INIZCTEOSA-N 2 1 321.465 2.239 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001323480121 1141857828 /nfs/dbraw/zinc/85/78/28/1141857828.db2.gz QMKWLCIEDGXYHJ-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324620139 1142158418 /nfs/dbraw/zinc/15/84/18/1142158418.db2.gz PYOPYHIPYXXDTB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324620139 1142158433 /nfs/dbraw/zinc/15/84/33/1142158433.db2.gz PYOPYHIPYXXDTB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324620139 1142158444 /nfs/dbraw/zinc/15/84/44/1142158444.db2.gz PYOPYHIPYXXDTB-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001278639866 1142567478 /nfs/dbraw/zinc/56/74/78/1142567478.db2.gz MYTYNQWBVQXOLB-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCO[C@H]1CC[NH+](CC(C)C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001337649028 1142779959 /nfs/dbraw/zinc/77/99/59/1142779959.db2.gz HQZJIVNGPDPGTN-ROUUACIJSA-N 2 1 308.466 2.176 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC(C)C[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001337649027 1142781337 /nfs/dbraw/zinc/78/13/37/1142781337.db2.gz HQZJIVNGPDPGTN-QZTJIDSGSA-N 2 1 308.466 2.176 20 30 DEEDMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001253189877 1142851854 /nfs/dbraw/zinc/85/18/54/1142851854.db2.gz MOYRLUATYFYHOT-LJQANCHMSA-N 2 1 315.461 2.440 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254522565 1143206400 /nfs/dbraw/zinc/20/64/00/1143206400.db2.gz ORXHYADGVPGDBK-OKZBNKHCSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254522565 1143206423 /nfs/dbraw/zinc/20/64/23/1143206423.db2.gz ORXHYADGVPGDBK-OKZBNKHCSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254522565 1143206456 /nfs/dbraw/zinc/20/64/56/1143206456.db2.gz ORXHYADGVPGDBK-OKZBNKHCSA-N 2 1 308.466 2.297 20 30 DEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662231 1143303887 /nfs/dbraw/zinc/30/38/87/1143303887.db2.gz DFMLVEPFSYSWKM-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662231 1143303896 /nfs/dbraw/zinc/30/38/96/1143303896.db2.gz DFMLVEPFSYSWKM-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662231 1143303905 /nfs/dbraw/zinc/30/39/05/1143303905.db2.gz DFMLVEPFSYSWKM-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cnc(C[NH3+])s1)C(C)C ZINC001340806409 1143447888 /nfs/dbraw/zinc/44/78/88/1143447888.db2.gz DOIHBTUAVPUMTF-ZDUSSCGKSA-N 2 1 322.478 2.030 20 30 DEEDMP C=CC[C@]1(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CCC[NH2+]1 ZINC001341993479 1143763774 /nfs/dbraw/zinc/76/37/74/1143763774.db2.gz UBCNMTUJKFNZKD-CEXWTWQISA-N 2 1 317.477 2.019 20 30 DEEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256620716 1143857807 /nfs/dbraw/zinc/85/78/07/1143857807.db2.gz AVBCNVSYHLYNQW-AYHJJNSGSA-N 3 1 300.450 2.279 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264030607 1144444085 /nfs/dbraw/zinc/44/40/85/1144444085.db2.gz UEDXTOUHUQRWHE-OIISXLGYSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001264365311 1144514578 /nfs/dbraw/zinc/51/45/78/1144514578.db2.gz VJDUBYORUVSKBQ-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001264365311 1144514583 /nfs/dbraw/zinc/51/45/83/1144514583.db2.gz VJDUBYORUVSKBQ-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001264365311 1144514589 /nfs/dbraw/zinc/51/45/89/1144514589.db2.gz VJDUBYORUVSKBQ-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001264365311 1144514597 /nfs/dbraw/zinc/51/45/97/1144514597.db2.gz VJDUBYORUVSKBQ-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264682131 1144592009 /nfs/dbraw/zinc/59/20/09/1144592009.db2.gz QNWUVMIFKGNHTM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001265073004 1144637729 /nfs/dbraw/zinc/63/77/29/1144637729.db2.gz LZOAECIQVFXLMJ-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001265087259 1144640509 /nfs/dbraw/zinc/64/05/09/1144640509.db2.gz XHBOSQBWXLZHBB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094887 1144641805 /nfs/dbraw/zinc/64/18/05/1144641805.db2.gz KZVSCCNHXSXEGP-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001265356926 1144697844 /nfs/dbraw/zinc/69/78/44/1144697844.db2.gz RQFMLCUTJWHJQU-GVDBMIGSSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982598 1144776735 /nfs/dbraw/zinc/77/67/35/1144776735.db2.gz IAHXRMHAILNFNI-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266112905 1144806608 /nfs/dbraw/zinc/80/66/08/1144806608.db2.gz CKSAZDYPKGBDJL-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576887 1144824917 /nfs/dbraw/zinc/82/49/17/1144824917.db2.gz QHRDCERTCGBMCU-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576887 1144824918 /nfs/dbraw/zinc/82/49/18/1144824918.db2.gz QHRDCERTCGBMCU-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001279589765 1144825343 /nfs/dbraw/zinc/82/53/43/1144825343.db2.gz ZMLOBEWOKXXUMK-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589765 1144825344 /nfs/dbraw/zinc/82/53/44/1144825344.db2.gz ZMLOBEWOKXXUMK-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589765 1144825346 /nfs/dbraw/zinc/82/53/46/1144825346.db2.gz ZMLOBEWOKXXUMK-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001280379156 1144837451 /nfs/dbraw/zinc/83/74/51/1144837451.db2.gz WYECWQAMJFNREG-QAQDUYKDSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889898 1144861518 /nfs/dbraw/zinc/86/15/18/1144861518.db2.gz RWFGWCPCJFCRJD-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001281833401 1144915554 /nfs/dbraw/zinc/91/55/54/1144915554.db2.gz LFMQVBUQZOBGNX-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001281833401 1144915557 /nfs/dbraw/zinc/91/55/57/1144915557.db2.gz LFMQVBUQZOBGNX-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001281833401 1144915560 /nfs/dbraw/zinc/91/55/60/1144915560.db2.gz LFMQVBUQZOBGNX-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001282015886 1144928698 /nfs/dbraw/zinc/92/86/98/1144928698.db2.gz QCYBWOBMBRMSKW-OFLPRAFFSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001282261852 1145026523 /nfs/dbraw/zinc/02/65/23/1145026523.db2.gz ZUWVYJQZXUKZQB-DAWZGUTISA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001282677899 1145123798 /nfs/dbraw/zinc/12/37/98/1145123798.db2.gz JZNOXXSJGCKRFQ-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283650224 1145561879 /nfs/dbraw/zinc/56/18/79/1145561879.db2.gz ULWWCAXIPLWDTG-INIZCTEOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001316633780 1145880802 /nfs/dbraw/zinc/88/08/02/1145880802.db2.gz RTRXZMUSTMXTBQ-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001491950470 1147015214 /nfs/dbraw/zinc/01/52/14/1147015214.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491950470 1147015218 /nfs/dbraw/zinc/01/52/18/1147015218.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001491950470 1147015225 /nfs/dbraw/zinc/01/52/25/1147015225.db2.gz AOHLYSYOOPMDRZ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154452 1147101844 /nfs/dbraw/zinc/10/18/44/1147101844.db2.gz NJROWAOCNINLME-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317205874 1147275390 /nfs/dbraw/zinc/27/53/90/1147275390.db2.gz FSLZUIFFZPPGRF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205874 1147275395 /nfs/dbraw/zinc/27/53/95/1147275395.db2.gz FSLZUIFFZPPGRF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205874 1147275398 /nfs/dbraw/zinc/27/53/98/1147275398.db2.gz FSLZUIFFZPPGRF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC#Cc1ccccc1)CC[NH+](C)C ZINC001308742485 1147484870 /nfs/dbraw/zinc/48/48/70/1147484870.db2.gz GVDQKJCWDKSCRT-HXUWFJFHSA-N 2 1 313.489 2.386 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316949518 1147574818 /nfs/dbraw/zinc/57/48/18/1147574818.db2.gz UGSMXAODOQHZDC-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317045052 1147581673 /nfs/dbraw/zinc/58/16/73/1147581673.db2.gz OHTUUYMZJJFUPJ-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316776339 1147597348 /nfs/dbraw/zinc/59/73/48/1147597348.db2.gz ZXJQDMXZHSOSCE-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001316891279 1147624651 /nfs/dbraw/zinc/62/46/51/1147624651.db2.gz HJKCDIRVWIFRIG-UHFFFAOYSA-N 2 1 321.490 2.275 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001317045804 1147652708 /nfs/dbraw/zinc/65/27/08/1147652708.db2.gz WXLLVHRKNKTUOD-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317204305 1147676182 /nfs/dbraw/zinc/67/61/82/1147676182.db2.gz MGFLFQWUKNYBHP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317781414 1147751700 /nfs/dbraw/zinc/75/17/00/1147751700.db2.gz CSNQSAAAHGUDAD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317781414 1147751701 /nfs/dbraw/zinc/75/17/01/1147751701.db2.gz CSNQSAAAHGUDAD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317781414 1147751703 /nfs/dbraw/zinc/75/17/03/1147751703.db2.gz CSNQSAAAHGUDAD-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317788561 1147752460 /nfs/dbraw/zinc/75/24/60/1147752460.db2.gz JKCCWTRKQMRZAI-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001318048111 1147767151 /nfs/dbraw/zinc/76/71/51/1147767151.db2.gz PQBUGDGIFGGORQ-UHFFFAOYSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001318223987 1147800662 /nfs/dbraw/zinc/80/06/62/1147800662.db2.gz MYQWYKBXACSSRX-ROUUACIJSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827107 1147850488 /nfs/dbraw/zinc/85/04/88/1147850488.db2.gz USKXJIPMCRKTNQ-MAUKXSAKSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001324886113 1147855353 /nfs/dbraw/zinc/85/53/53/1147855353.db2.gz HMIIBADATIDMDU-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001324886112 1147855440 /nfs/dbraw/zinc/85/54/40/1147855440.db2.gz HMIIBADATIDMDU-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001325689770 1147983958 /nfs/dbraw/zinc/98/39/58/1147983958.db2.gz ONIOLCRBSNINID-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001368131358 1148260547 /nfs/dbraw/zinc/26/05/47/1148260547.db2.gz HREYQCKEOIYMPJ-HNNXBMFYSA-N 2 1 324.856 2.209 20 30 DEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000083052923 185212085 /nfs/dbraw/zinc/21/20/85/185212085.db2.gz PFCXPVUAPHNHAQ-UHFFFAOYSA-N 2 1 308.426 2.162 20 30 DEEDMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000593915187 358171744 /nfs/dbraw/zinc/17/17/44/358171744.db2.gz SCUPLYOFDXPFOA-INIZCTEOSA-N 2 1 308.470 2.168 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(C#N)cc1 ZINC000595388247 358437689 /nfs/dbraw/zinc/43/76/89/358437689.db2.gz DLDIUDQMTCHEKL-GUDVDZBRSA-N 2 1 313.445 2.284 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000598701925 359298424 /nfs/dbraw/zinc/29/84/24/359298424.db2.gz ZTMNYPCSTDQNBQ-SFHVURJKSA-N 2 1 315.461 2.325 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000598701925 359298429 /nfs/dbraw/zinc/29/84/29/359298429.db2.gz ZTMNYPCSTDQNBQ-SFHVURJKSA-N 2 1 315.461 2.325 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000668169281 540606304 /nfs/dbraw/zinc/60/63/04/540606304.db2.gz MLUOLNYNEQRCBC-MRXNPFEDSA-N 2 1 303.454 2.018 20 30 DEEDMP CSc1ccc([C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+](C)C)cc1 ZINC000263193278 533001948 /nfs/dbraw/zinc/00/19/48/533001948.db2.gz WBJPOZMZFFEVTB-OAHLLOKOSA-N 2 1 308.495 2.490 20 30 DEEDMP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329175487 285285761 /nfs/dbraw/zinc/28/57/61/285285761.db2.gz MBIOFKBWWHBVME-RDJZCZTQSA-N 2 1 323.481 2.197 20 30 DEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000304811488 285339901 /nfs/dbraw/zinc/33/99/01/285339901.db2.gz XGBUKWKKURDHEK-KCQAQPDRSA-N 2 1 324.494 2.070 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129309067 401802279 /nfs/dbraw/zinc/80/22/79/401802279.db2.gz SYVXRMZOOOOAKP-GXFFZTMASA-N 2 1 321.494 2.050 20 30 DEEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccn1 ZINC000170912092 402540825 /nfs/dbraw/zinc/54/08/25/402540825.db2.gz GYXKOIZLHOFKEJ-QGZVFWFLSA-N 2 1 323.444 2.373 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000180537757 402619853 /nfs/dbraw/zinc/61/98/53/402619853.db2.gz BBNXAXRVGOYEHM-OAHLLOKOSA-N 2 1 317.433 2.350 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000263266110 402752023 /nfs/dbraw/zinc/75/20/23/402752023.db2.gz VGDPVHQOONHNIE-GJZGRUSLSA-N 2 1 304.438 2.463 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280548636 403011842 /nfs/dbraw/zinc/01/18/42/403011842.db2.gz IXHKGBWEMVQJLA-DJIMGWMZSA-N 2 1 318.440 2.460 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000269418420 403137861 /nfs/dbraw/zinc/13/78/61/403137861.db2.gz LCARRXCXITUTTD-GOSISDBHSA-N 2 1 315.461 2.448 20 30 DEEDMP C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343922862 403793269 /nfs/dbraw/zinc/79/32/69/403793269.db2.gz LEYJNNIKSRXOLY-LPHOPBHVSA-N 2 1 312.461 2.016 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343922862 403793273 /nfs/dbraw/zinc/79/32/73/403793273.db2.gz LEYJNNIKSRXOLY-LPHOPBHVSA-N 2 1 312.461 2.016 20 30 DEEDMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1C#N ZINC000344026470 403857202 /nfs/dbraw/zinc/85/72/02/403857202.db2.gz JXZQYPZCUZWOAK-UHFFFAOYSA-N 2 1 302.466 2.182 20 30 DEEDMP C[N@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCC[NH+]1C ZINC000344142706 403937007 /nfs/dbraw/zinc/93/70/07/403937007.db2.gz LVXBAKCLCFDJJV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCC[NH+]1C ZINC000344142706 403937013 /nfs/dbraw/zinc/93/70/13/403937013.db2.gz LVXBAKCLCFDJJV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000344142706 403937020 /nfs/dbraw/zinc/93/70/20/403937020.db2.gz LVXBAKCLCFDJJV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP C[NH+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCC[N@H+]1C ZINC000344142706 403937029 /nfs/dbraw/zinc/93/70/29/403937029.db2.gz LVXBAKCLCFDJJV-GOSISDBHSA-N 2 1 301.434 2.491 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000348300496 404058837 /nfs/dbraw/zinc/05/88/37/404058837.db2.gz BDQGMVZSVLGLJM-JKSUJKDBSA-N 2 1 320.481 2.039 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000290455503 404176712 /nfs/dbraw/zinc/17/67/12/404176712.db2.gz DCOBQVVOBDOSMN-INIZCTEOSA-N 2 1 300.450 2.355 20 30 DEEDMP Cc1cccc(N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)[nH+]1 ZINC000352832920 404653704 /nfs/dbraw/zinc/65/37/04/404653704.db2.gz HQVVAOVFCRTMRF-UHFFFAOYSA-N 2 1 313.430 2.477 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454471861 405350145 /nfs/dbraw/zinc/35/01/45/405350145.db2.gz ZVLBBRRTIVLSEL-UHFFFAOYSA-N 2 1 322.497 2.201 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638571 407157972 /nfs/dbraw/zinc/15/79/72/407157972.db2.gz RVTHFWSQAOKLPG-OTWHNJEPSA-N 2 1 318.461 2.050 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638571 407157973 /nfs/dbraw/zinc/15/79/73/407157973.db2.gz RVTHFWSQAOKLPG-OTWHNJEPSA-N 2 1 318.461 2.050 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657875654 425412631 /nfs/dbraw/zinc/41/26/31/425412631.db2.gz NOJBHXAECOZJSW-SFHVURJKSA-N 2 1 310.482 2.448 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764173 425642775 /nfs/dbraw/zinc/64/27/75/425642775.db2.gz XCCSXWAHRPZSAF-YESZJQIVSA-N 2 1 322.497 2.151 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764173 425642776 /nfs/dbraw/zinc/64/27/76/425642776.db2.gz XCCSXWAHRPZSAF-YESZJQIVSA-N 2 1 322.497 2.151 20 30 DEEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663004 425706304 /nfs/dbraw/zinc/70/63/04/425706304.db2.gz BPPSARUQZOLWKT-MJGOQNOKSA-N 2 1 313.445 2.075 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662683964 425711658 /nfs/dbraw/zinc/71/16/58/425711658.db2.gz XZVPRVNSFZNMLG-JZXOWHBKSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730909 425723992 /nfs/dbraw/zinc/72/39/92/425723992.db2.gz URQGBHUUJWGWHU-VQIMIIECSA-N 2 1 315.461 2.321 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CSC)cc1 ZINC000285171500 279303507 /nfs/dbraw/zinc/30/35/07/279303507.db2.gz TZTBJDPIADINTG-MRXNPFEDSA-N 2 1 320.506 2.438 20 30 DEEDMP CN(C)c1ccc(/C=C/C=[NH+]NCCC[NH+]2CCOCC2)cc1 ZINC000834977316 649864047 /nfs/dbraw/zinc/86/40/47/649864047.db2.gz SKOPWEMFKFWFCY-LWTDZCFHSA-N 2 1 316.449 2.064 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970618 782090922 /nfs/dbraw/zinc/09/09/22/782090922.db2.gz HUVGFFNYELZFNS-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970618 782090928 /nfs/dbraw/zinc/09/09/28/782090928.db2.gz HUVGFFNYELZFNS-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970618 782090946 /nfs/dbraw/zinc/09/09/46/782090946.db2.gz HUVGFFNYELZFNS-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(C)C)CC1 ZINC001327454604 1148559487 /nfs/dbraw/zinc/55/94/87/1148559487.db2.gz CYUWTZRJFCZLJN-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC(C)C)CC1 ZINC001327454604 1148559501 /nfs/dbraw/zinc/55/95/01/1148559501.db2.gz CYUWTZRJFCZLJN-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC(C)(C)c1cccs1 ZINC000262487775 526371598 /nfs/dbraw/zinc/37/15/98/526371598.db2.gz ITLOJHRUOXQTLL-ZDUSSCGKSA-N 2 1 308.495 2.142 20 30 DEEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262025075 528818291 /nfs/dbraw/zinc/81/82/91/528818291.db2.gz ZMPCIXWBSGEYQG-IUODEOHRSA-N 2 1 306.479 2.286 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001327695104 1148624230 /nfs/dbraw/zinc/62/42/30/1148624230.db2.gz FHVIIHFOGQPZFH-UHFFFAOYSA-N 2 1 301.434 2.146 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633502 625362845 /nfs/dbraw/zinc/36/28/45/625362845.db2.gz ZGUYFFNOOHWBTK-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001023707065 625396003 /nfs/dbraw/zinc/39/60/03/625396003.db2.gz IOOZFXNNCVZJRO-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707065 625396007 /nfs/dbraw/zinc/39/60/07/625396007.db2.gz IOOZFXNNCVZJRO-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707065 625396008 /nfs/dbraw/zinc/39/60/08/625396008.db2.gz IOOZFXNNCVZJRO-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575686 623779626 /nfs/dbraw/zinc/77/96/26/623779626.db2.gz MFLWPTIQIHIMMQ-HZPDHXFCSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971667008 624498013 /nfs/dbraw/zinc/49/80/13/624498013.db2.gz HCPULRAXLIBGLO-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667008 624498015 /nfs/dbraw/zinc/49/80/15/624498015.db2.gz HCPULRAXLIBGLO-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667008 624498016 /nfs/dbraw/zinc/49/80/16/624498016.db2.gz HCPULRAXLIBGLO-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[C@H]1CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000934459026 624882344 /nfs/dbraw/zinc/88/23/44/624882344.db2.gz AWDAZCDLBYIGPE-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024811851 625064459 /nfs/dbraw/zinc/06/44/59/625064459.db2.gz BZGURQPXVGDCTN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024811848 625064772 /nfs/dbraw/zinc/06/47/72/625064772.db2.gz BZGURQPXVGDCTN-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410110 625257105 /nfs/dbraw/zinc/25/71/05/625257105.db2.gz ODYSWWLYLRWYEY-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410110 625257108 /nfs/dbraw/zinc/25/71/08/625257108.db2.gz ODYSWWLYLRWYEY-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410110 625257113 /nfs/dbraw/zinc/25/71/13/625257113.db2.gz ODYSWWLYLRWYEY-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007495108 625269587 /nfs/dbraw/zinc/26/95/87/625269587.db2.gz IMHMQWQPSBUWTL-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495108 625269588 /nfs/dbraw/zinc/26/95/88/625269588.db2.gz IMHMQWQPSBUWTL-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495108 625269590 /nfs/dbraw/zinc/26/95/90/625269590.db2.gz IMHMQWQPSBUWTL-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446191 625271623 /nfs/dbraw/zinc/27/16/23/625271623.db2.gz LNGQNPKYYAPYKS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446191 625271626 /nfs/dbraw/zinc/27/16/26/625271626.db2.gz LNGQNPKYYAPYKS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446191 625271629 /nfs/dbraw/zinc/27/16/29/625271629.db2.gz LNGQNPKYYAPYKS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446191 625271632 /nfs/dbraw/zinc/27/16/32/625271632.db2.gz LNGQNPKYYAPYKS-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501655 625823816 /nfs/dbraw/zinc/82/38/16/625823816.db2.gz HDBYWWXSJIWXSO-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557228 625876589 /nfs/dbraw/zinc/87/65/89/625876589.db2.gz OXNXWNKHELBBKT-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999972528 634712092 /nfs/dbraw/zinc/71/20/92/634712092.db2.gz GHLJGOQWKBCBIL-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000107612 634747721 /nfs/dbraw/zinc/74/77/21/634747721.db2.gz ZLCOTPIRADJLNO-INIZCTEOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995919504 633139817 /nfs/dbraw/zinc/13/98/17/633139817.db2.gz RMLARZWKCVKETQ-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679139 633231713 /nfs/dbraw/zinc/23/17/13/633231713.db2.gz GMGZTNQAZILJIH-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679139 633231714 /nfs/dbraw/zinc/23/17/14/633231714.db2.gz GMGZTNQAZILJIH-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679139 633231716 /nfs/dbraw/zinc/23/17/16/633231716.db2.gz GMGZTNQAZILJIH-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996373229 633249642 /nfs/dbraw/zinc/24/96/42/633249642.db2.gz JHGNIPOPQKDAKP-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974771354 633294091 /nfs/dbraw/zinc/29/40/91/633294091.db2.gz CSVABPPLSNJDAT-INIZCTEOSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771704 633380420 /nfs/dbraw/zinc/38/04/20/633380420.db2.gz UXPPYBNRZBGZLU-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408964 633748038 /nfs/dbraw/zinc/74/80/38/633748038.db2.gz APZNHJZEIDPWPK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408964 633748040 /nfs/dbraw/zinc/74/80/40/633748040.db2.gz APZNHJZEIDPWPK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408964 633748043 /nfs/dbraw/zinc/74/80/43/633748043.db2.gz APZNHJZEIDPWPK-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452510 633810276 /nfs/dbraw/zinc/81/02/76/633810276.db2.gz PUMOYAAYIHEHPY-CABCVRRESA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463671 633832916 /nfs/dbraw/zinc/83/29/16/633832916.db2.gz GNUZNFFNBSNAAS-UONOGXRCSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463671 633832921 /nfs/dbraw/zinc/83/29/21/633832921.db2.gz GNUZNFFNBSNAAS-UONOGXRCSA-N 2 1 301.862 2.002 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214454 633881385 /nfs/dbraw/zinc/88/13/85/633881385.db2.gz DLTKTHFPGOWULY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214454 633881388 /nfs/dbraw/zinc/88/13/88/633881388.db2.gz DLTKTHFPGOWULY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC000977540059 634033216 /nfs/dbraw/zinc/03/32/16/634033216.db2.gz ZDAGJFQUTCNSSK-HNNXBMFYSA-N 2 1 304.438 2.053 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623758 634076832 /nfs/dbraw/zinc/07/68/32/634076832.db2.gz VXTUNSBAQGRKAK-KRWDZBQOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978229535 634248940 /nfs/dbraw/zinc/24/89/40/634248940.db2.gz JODMXQIZKKLHHT-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978229535 634248948 /nfs/dbraw/zinc/24/89/48/634248948.db2.gz JODMXQIZKKLHHT-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978229535 634248952 /nfs/dbraw/zinc/24/89/52/634248952.db2.gz JODMXQIZKKLHHT-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980523173 635034360 /nfs/dbraw/zinc/03/43/60/635034360.db2.gz DVNGIFQBIVJMEE-HNNXBMFYSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169407 635340623 /nfs/dbraw/zinc/34/06/23/635340623.db2.gz WFNJSADQAFXCPY-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045700 635363499 /nfs/dbraw/zinc/36/34/99/635363499.db2.gz OMGQCSFVOJHNHN-QGZVFWFLSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001001003500 635376161 /nfs/dbraw/zinc/37/61/61/635376161.db2.gz AOBBCHRFRHKZIW-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981325047 635440273 /nfs/dbraw/zinc/44/02/73/635440273.db2.gz ZNLGSEUIOLYNSO-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981325047 635440276 /nfs/dbraw/zinc/44/02/76/635440276.db2.gz ZNLGSEUIOLYNSO-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981325047 635440280 /nfs/dbraw/zinc/44/02/80/635440280.db2.gz ZNLGSEUIOLYNSO-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001521823 635521185 /nfs/dbraw/zinc/52/11/85/635521185.db2.gz JTSNHLDAWPEDFF-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001001565857 635527933 /nfs/dbraw/zinc/52/79/33/635527933.db2.gz UAHUPDOMMXXSPM-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981681501 635591932 /nfs/dbraw/zinc/59/19/32/635591932.db2.gz DXOFMBAAXJDLAY-UHFFFAOYSA-N 2 1 315.461 2.125 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822469 635673694 /nfs/dbraw/zinc/67/36/94/635673694.db2.gz LDNAWDVILSZDAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822469 635673696 /nfs/dbraw/zinc/67/36/96/635673696.db2.gz LDNAWDVILSZDAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822469 635673698 /nfs/dbraw/zinc/67/36/98/635673698.db2.gz LDNAWDVILSZDAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871204 635704163 /nfs/dbraw/zinc/70/41/63/635704163.db2.gz WFVITEBTHLIEKE-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160753 635893248 /nfs/dbraw/zinc/89/32/48/635893248.db2.gz CZGYWINTUFPUSO-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160753 635893252 /nfs/dbraw/zinc/89/32/52/635893252.db2.gz CZGYWINTUFPUSO-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160753 635893255 /nfs/dbraw/zinc/89/32/55/635893255.db2.gz CZGYWINTUFPUSO-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296403 635955015 /nfs/dbraw/zinc/95/50/15/635955015.db2.gz RYWGRQVJHZLPTE-YTQUADARSA-N 2 1 319.493 2.073 20 30 DEEDMP C#Cc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922388206 636142112 /nfs/dbraw/zinc/14/21/12/636142112.db2.gz CXYTWJVRPCHFLA-UAFMIMERSA-N 2 1 312.457 2.237 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001028542041 636327012 /nfs/dbraw/zinc/32/70/12/636327012.db2.gz KIIPYRXWFJSPPS-OAHLLOKOSA-N 2 1 312.417 2.271 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736550 636586982 /nfs/dbraw/zinc/58/69/82/636586982.db2.gz YXXKLAODBZVGQK-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736550 636586986 /nfs/dbraw/zinc/58/69/86/636586986.db2.gz YXXKLAODBZVGQK-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736550 636586989 /nfs/dbraw/zinc/58/69/89/636586989.db2.gz YXXKLAODBZVGQK-XLAORIBOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751899 636599139 /nfs/dbraw/zinc/59/91/39/636599139.db2.gz JMZMKTYKRZEPGG-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946780093 636647315 /nfs/dbraw/zinc/64/73/15/636647315.db2.gz ZLSOYALCFWAPSS-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946780093 636647318 /nfs/dbraw/zinc/64/73/18/636647318.db2.gz ZLSOYALCFWAPSS-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946780095 636647336 /nfs/dbraw/zinc/64/73/36/636647336.db2.gz ZLSOYALCFWAPSS-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946780095 636647340 /nfs/dbraw/zinc/64/73/40/636647340.db2.gz ZLSOYALCFWAPSS-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918332 636850167 /nfs/dbraw/zinc/85/01/67/636850167.db2.gz FGITZAQVBQJNRD-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918332 636850169 /nfs/dbraw/zinc/85/01/69/636850169.db2.gz FGITZAQVBQJNRD-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918332 636850170 /nfs/dbraw/zinc/85/01/70/636850170.db2.gz FGITZAQVBQJNRD-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919041 636851206 /nfs/dbraw/zinc/85/12/06/636851206.db2.gz PVJKNNVJHRKGCX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919041 636851209 /nfs/dbraw/zinc/85/12/09/636851209.db2.gz PVJKNNVJHRKGCX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028919041 636851211 /nfs/dbraw/zinc/85/12/11/636851211.db2.gz PVJKNNVJHRKGCX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083541 637181377 /nfs/dbraw/zinc/18/13/77/637181377.db2.gz HOHMKWBQJXHKEW-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000923508567 637222000 /nfs/dbraw/zinc/22/20/00/637222000.db2.gz XDKXJHQJZQUSBJ-MRXNPFEDSA-N 2 1 317.481 2.456 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985592869 639535160 /nfs/dbraw/zinc/53/51/60/639535160.db2.gz FWIUKNDEWFSWTH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985592869 639535163 /nfs/dbraw/zinc/53/51/63/639535163.db2.gz FWIUKNDEWFSWTH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985592869 639535166 /nfs/dbraw/zinc/53/51/66/639535166.db2.gz FWIUKNDEWFSWTH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985592855 639535792 /nfs/dbraw/zinc/53/57/92/639535792.db2.gz FWIUKNDEWFSWTH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985592855 639535796 /nfs/dbraw/zinc/53/57/96/639535796.db2.gz FWIUKNDEWFSWTH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985592855 639535798 /nfs/dbraw/zinc/53/57/98/639535798.db2.gz FWIUKNDEWFSWTH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985750505 639614701 /nfs/dbraw/zinc/61/47/01/639614701.db2.gz GNHFEWVKEURRND-NVXWUHKLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000986956111 640024184 /nfs/dbraw/zinc/02/41/84/640024184.db2.gz JUEYZZHTDUFHEG-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](C)C#N ZINC000775655712 642073946 /nfs/dbraw/zinc/07/39/46/642073946.db2.gz KBLGBGDDUBTNSO-INIZCTEOSA-N 2 1 300.450 2.420 20 30 DEEDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](C)C#N ZINC000775655712 642073952 /nfs/dbraw/zinc/07/39/52/642073952.db2.gz KBLGBGDDUBTNSO-INIZCTEOSA-N 2 1 300.450 2.420 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477389 650749150 /nfs/dbraw/zinc/74/91/50/650749150.db2.gz SZBCTWNBZFASNF-IRXDYDNUSA-N 2 1 322.497 2.177 20 30 DEEDMP C[C@H]1CNC(NN=C2CCCC[C@H]2[N@@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797190 642540323 /nfs/dbraw/zinc/54/03/23/642540323.db2.gz BJUCOIRDHKEEBI-KNCOVGOOSA-N 2 1 305.470 2.200 20 30 DEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903827509 643474371 /nfs/dbraw/zinc/47/43/71/643474371.db2.gz UWZUOLONVCWLSA-CQSZACIVSA-N 2 1 305.447 2.210 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905095033 643798746 /nfs/dbraw/zinc/79/87/46/643798746.db2.gz HIXFENZVQDSUPL-RBUKOAKNSA-N 2 1 318.461 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991071543 644003155 /nfs/dbraw/zinc/00/31/55/644003155.db2.gz ZCBRXWWWTMUXCT-RVKKMQEKSA-N 2 1 314.433 2.060 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991071543 644003166 /nfs/dbraw/zinc/00/31/66/644003166.db2.gz ZCBRXWWWTMUXCT-RVKKMQEKSA-N 2 1 314.433 2.060 20 30 DEEDMP CCCC[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912496733 646081592 /nfs/dbraw/zinc/08/15/92/646081592.db2.gz DUYIDDJODLILRN-OAHLLOKOSA-N 2 1 312.502 2.231 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771521 646596795 /nfs/dbraw/zinc/59/67/95/646596795.db2.gz MZDZUPLOPZKPCG-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771521 646596801 /nfs/dbraw/zinc/59/68/01/646596801.db2.gz MZDZUPLOPZKPCG-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829235 646696123 /nfs/dbraw/zinc/69/61/23/646696123.db2.gz HHTMKRYVUXVZNB-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829235 646696126 /nfs/dbraw/zinc/69/61/26/646696126.db2.gz HHTMKRYVUXVZNB-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829235 646696129 /nfs/dbraw/zinc/69/61/29/646696129.db2.gz HHTMKRYVUXVZNB-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120367 646861647 /nfs/dbraw/zinc/86/16/47/646861647.db2.gz BMMJVDYTQGTTRM-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120367 646861650 /nfs/dbraw/zinc/86/16/50/646861650.db2.gz BMMJVDYTQGTTRM-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120367 646861654 /nfs/dbraw/zinc/86/16/54/646861654.db2.gz BMMJVDYTQGTTRM-IMBTUZDBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992403105 646971790 /nfs/dbraw/zinc/97/17/90/646971790.db2.gz ADUAJUNDZBXECL-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992403105 646971792 /nfs/dbraw/zinc/97/17/92/646971792.db2.gz ADUAJUNDZBXECL-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992403105 646971793 /nfs/dbraw/zinc/97/17/93/646971793.db2.gz ADUAJUNDZBXECL-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992432240 646997940 /nfs/dbraw/zinc/99/79/40/646997940.db2.gz PYICTJJDCUFTCC-FUHWJXTLSA-N 2 1 316.449 2.042 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992475496 647050372 /nfs/dbraw/zinc/05/03/72/647050372.db2.gz JTFIJPBYUQNDMO-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992475496 647050373 /nfs/dbraw/zinc/05/03/73/647050373.db2.gz JTFIJPBYUQNDMO-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992475496 647050375 /nfs/dbraw/zinc/05/03/75/647050375.db2.gz JTFIJPBYUQNDMO-XYJFISCASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993480605 647684187 /nfs/dbraw/zinc/68/41/87/647684187.db2.gz QGLRGGBQAJTCQH-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993532562 647690895 /nfs/dbraw/zinc/69/08/95/647690895.db2.gz VBLRRZPMZAUXSG-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736139 648934863 /nfs/dbraw/zinc/93/48/63/648934863.db2.gz AGUHQUWOGXOREE-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736139 648934866 /nfs/dbraw/zinc/93/48/66/648934866.db2.gz AGUHQUWOGXOREE-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736139 648934868 /nfs/dbraw/zinc/93/48/68/648934868.db2.gz AGUHQUWOGXOREE-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942287604 649200670 /nfs/dbraw/zinc/20/06/70/649200670.db2.gz LPSDFCWXRMAKLE-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518566 649232375 /nfs/dbraw/zinc/23/23/75/649232375.db2.gz TZNTWQCYBZWCPT-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581589 649253410 /nfs/dbraw/zinc/25/34/10/649253410.db2.gz JJBTXDIMMVSYGV-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829804316 649358976 /nfs/dbraw/zinc/35/89/76/649358976.db2.gz GOQXAGODUIEUFT-WOJBJXKFSA-N 2 1 316.489 2.474 20 30 DEEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000849041099 651593000 /nfs/dbraw/zinc/59/30/00/651593000.db2.gz KFDHNBLNLPJFBK-KRWDZBQOSA-N 2 1 302.466 2.426 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568500996 1158399521 /nfs/dbraw/zinc/39/95/21/1158399521.db2.gz BUITUNJXKRXDBD-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCCC2 ZINC000304757955 685260119 /nfs/dbraw/zinc/26/01/19/685260119.db2.gz PLBDICHZYHPQOR-ARFHVFGLSA-N 2 1 322.497 2.113 20 30 DEEDMP CCNC(NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000395901904 685461026 /nfs/dbraw/zinc/46/10/26/685461026.db2.gz LPVAWRMDWVIISB-SFHVURJKSA-N 2 1 302.466 2.474 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146417 693862064 /nfs/dbraw/zinc/86/20/64/693862064.db2.gz DAGYPKXPXRVVDJ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146417 693862066 /nfs/dbraw/zinc/86/20/66/693862066.db2.gz DAGYPKXPXRVVDJ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146417 693862069 /nfs/dbraw/zinc/86/20/69/693862069.db2.gz DAGYPKXPXRVVDJ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054238934 693894673 /nfs/dbraw/zinc/89/46/73/693894673.db2.gz BZMUJWNQBXYFJW-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054238934 693894679 /nfs/dbraw/zinc/89/46/79/693894679.db2.gz BZMUJWNQBXYFJW-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054238934 693894683 /nfs/dbraw/zinc/89/46/83/693894683.db2.gz BZMUJWNQBXYFJW-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1Cl ZINC000303792882 685235351 /nfs/dbraw/zinc/23/53/51/685235351.db2.gz YUPRZVNYXPAQSM-AWEZNQCLSA-N 2 1 308.857 2.271 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826558 694055056 /nfs/dbraw/zinc/05/50/56/694055056.db2.gz MPPFFESWVYUMRU-GOEBONIOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015797056 687425290 /nfs/dbraw/zinc/42/52/90/687425290.db2.gz WJEOPALBWUVIDS-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797056 687425293 /nfs/dbraw/zinc/42/52/93/687425293.db2.gz WJEOPALBWUVIDS-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797056 687425295 /nfs/dbraw/zinc/42/52/95/687425295.db2.gz WJEOPALBWUVIDS-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611588 687664887 /nfs/dbraw/zinc/66/48/87/687664887.db2.gz DTLCRPCOSLKMDR-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016739092 687693548 /nfs/dbraw/zinc/69/35/48/687693548.db2.gz XHNDAELOOAWEMF-MRXNPFEDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001017601090 687920749 /nfs/dbraw/zinc/92/07/49/687920749.db2.gz YKDQFZLKYNYXIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001017601090 687920750 /nfs/dbraw/zinc/92/07/50/687920750.db2.gz YKDQFZLKYNYXIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601090 687920752 /nfs/dbraw/zinc/92/07/52/687920752.db2.gz YKDQFZLKYNYXIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017601090 687920754 /nfs/dbraw/zinc/92/07/54/687920754.db2.gz YKDQFZLKYNYXIT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017834940 687969083 /nfs/dbraw/zinc/96/90/83/687969083.db2.gz AZUQQQZLAHKNFM-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017834940 687969088 /nfs/dbraw/zinc/96/90/88/687969088.db2.gz AZUQQQZLAHKNFM-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017834940 687969089 /nfs/dbraw/zinc/96/90/89/687969089.db2.gz AZUQQQZLAHKNFM-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018011499 688027621 /nfs/dbraw/zinc/02/76/21/688027621.db2.gz FTNTVMZKGGBJAP-IYBDPMFKSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001018011499 688027628 /nfs/dbraw/zinc/02/76/28/688027628.db2.gz FTNTVMZKGGBJAP-IYBDPMFKSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001018302412 688105241 /nfs/dbraw/zinc/10/52/41/688105241.db2.gz OWZTXMWPRVRGDT-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018302412 688105244 /nfs/dbraw/zinc/10/52/44/688105244.db2.gz OWZTXMWPRVRGDT-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018302412 688105249 /nfs/dbraw/zinc/10/52/49/688105249.db2.gz OWZTXMWPRVRGDT-WNKDZCFJSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001018873195 688245423 /nfs/dbraw/zinc/24/54/23/688245423.db2.gz OCTVQAHWGOXZTP-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156646 688475741 /nfs/dbraw/zinc/47/57/41/688475741.db2.gz VBBVKGYTHBPEDT-BRWVUGGUSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001032664120 689218144 /nfs/dbraw/zinc/21/81/44/689218144.db2.gz RDMJVDCBSUMMHY-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001032664120 689218145 /nfs/dbraw/zinc/21/81/45/689218145.db2.gz RDMJVDCBSUMMHY-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032664120 689218148 /nfs/dbraw/zinc/21/81/48/689218148.db2.gz RDMJVDCBSUMMHY-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032664120 689218150 /nfs/dbraw/zinc/21/81/50/689218150.db2.gz RDMJVDCBSUMMHY-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046082 689705063 /nfs/dbraw/zinc/70/50/63/689705063.db2.gz PPVRMEXAPZSRIR-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250494 689781153 /nfs/dbraw/zinc/78/11/53/689781153.db2.gz RBRZNELTYIFMBP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250494 689781157 /nfs/dbraw/zinc/78/11/57/689781157.db2.gz RBRZNELTYIFMBP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250494 689781161 /nfs/dbraw/zinc/78/11/61/689781161.db2.gz RBRZNELTYIFMBP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774020 690469928 /nfs/dbraw/zinc/46/99/28/690469928.db2.gz XSBRRQVBOOFDGI-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774020 690469931 /nfs/dbraw/zinc/46/99/31/690469931.db2.gz XSBRRQVBOOFDGI-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820901 690486486 /nfs/dbraw/zinc/48/64/86/690486486.db2.gz QLNAPZIDMKSXMQ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820901 690486489 /nfs/dbraw/zinc/48/64/89/690486489.db2.gz QLNAPZIDMKSXMQ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820901 690486493 /nfs/dbraw/zinc/48/64/93/690486493.db2.gz QLNAPZIDMKSXMQ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP COCC[N@H+](Cc1ccc(F)c(C#N)c1)CC1CC[NH+](C)CC1 ZINC000879125162 690573149 /nfs/dbraw/zinc/57/31/49/690573149.db2.gz RTHYWSVVYBZUEA-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038779844 690924487 /nfs/dbraw/zinc/92/44/87/690924487.db2.gz KQJWRAIXBLWIOC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038779844 690924490 /nfs/dbraw/zinc/92/44/90/690924490.db2.gz KQJWRAIXBLWIOC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038779844 690924492 /nfs/dbraw/zinc/92/44/92/690924492.db2.gz KQJWRAIXBLWIOC-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241503 691065786 /nfs/dbraw/zinc/06/57/86/691065786.db2.gz BSSIHMYJYZQIGE-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039241503 691065790 /nfs/dbraw/zinc/06/57/90/691065790.db2.gz BSSIHMYJYZQIGE-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039295729 691076303 /nfs/dbraw/zinc/07/63/03/691076303.db2.gz QWOIDTLUIJKDBW-DUQJVZAFSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282645 691225645 /nfs/dbraw/zinc/22/56/45/691225645.db2.gz XTVPSPGCUCFOFK-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394157 691241525 /nfs/dbraw/zinc/24/15/25/691241525.db2.gz IQYBGZBJDPZCER-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394157 691241529 /nfs/dbraw/zinc/24/15/29/691241529.db2.gz IQYBGZBJDPZCER-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394157 691241532 /nfs/dbraw/zinc/24/15/32/691241532.db2.gz IQYBGZBJDPZCER-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040531623 691262709 /nfs/dbraw/zinc/26/27/09/691262709.db2.gz QKNDJPUXNMEWQJ-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440407 691375861 /nfs/dbraw/zinc/37/58/61/691375861.db2.gz MLBLUYUXGUCISA-SFHVURJKSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537041 691389613 /nfs/dbraw/zinc/38/96/13/691389613.db2.gz TWYZWFNUBINUAK-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188267 691532791 /nfs/dbraw/zinc/53/27/91/691532791.db2.gz RGCKWYPQNSEWBJ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042286537 691557317 /nfs/dbraw/zinc/55/73/17/691557317.db2.gz ARJQADBFYOEFLQ-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)CCC1 ZINC000885959343 691971762 /nfs/dbraw/zinc/97/17/62/691971762.db2.gz YWKLCLVBMNXFBI-KRWDZBQOSA-N 2 1 305.466 2.382 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438274 691981286 /nfs/dbraw/zinc/98/12/86/691981286.db2.gz NFJASTJWJKQCOB-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080699 691999370 /nfs/dbraw/zinc/99/93/70/691999370.db2.gz FXSXWPFMMHNJGJ-BPQIPLTHSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000886080699 691999372 /nfs/dbraw/zinc/99/93/72/691999372.db2.gz FXSXWPFMMHNJGJ-BPQIPLTHSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000886080699 691999377 /nfs/dbraw/zinc/99/93/77/691999377.db2.gz FXSXWPFMMHNJGJ-BPQIPLTHSA-N 2 1 317.477 2.380 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964910 692063413 /nfs/dbraw/zinc/06/34/13/692063413.db2.gz AATIADUROXHAKG-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964910 692063415 /nfs/dbraw/zinc/06/34/15/692063415.db2.gz AATIADUROXHAKG-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569158 692226602 /nfs/dbraw/zinc/22/66/02/692226602.db2.gz HDWOKIOEHFYGPD-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569158 692226605 /nfs/dbraw/zinc/22/66/05/692226605.db2.gz HDWOKIOEHFYGPD-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569158 692226606 /nfs/dbraw/zinc/22/66/06/692226606.db2.gz HDWOKIOEHFYGPD-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226968 692397961 /nfs/dbraw/zinc/39/79/61/692397961.db2.gz BTMGNZXIJKGVBJ-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097709 692764124 /nfs/dbraw/zinc/76/41/24/692764124.db2.gz PMIBRDJUSRXPIZ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097709 692764125 /nfs/dbraw/zinc/76/41/25/692764125.db2.gz PMIBRDJUSRXPIZ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097709 692764129 /nfs/dbraw/zinc/76/41/29/692764129.db2.gz PMIBRDJUSRXPIZ-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235190 692796534 /nfs/dbraw/zinc/79/65/34/692796534.db2.gz MHSDRFBGBZTIFU-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480514 692895815 /nfs/dbraw/zinc/89/58/15/692895815.db2.gz FOZLJWSDBTXADM-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480514 692895817 /nfs/dbraw/zinc/89/58/17/692895817.db2.gz FOZLJWSDBTXADM-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480514 692895820 /nfs/dbraw/zinc/89/58/20/692895820.db2.gz FOZLJWSDBTXADM-MLHJIOFPSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049663290 692958113 /nfs/dbraw/zinc/95/81/13/692958113.db2.gz LUDMUOARTMAGIH-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663290 692958117 /nfs/dbraw/zinc/95/81/17/692958117.db2.gz LUDMUOARTMAGIH-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663290 692958119 /nfs/dbraw/zinc/95/81/19/692958119.db2.gz LUDMUOARTMAGIH-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049760995 692991292 /nfs/dbraw/zinc/99/12/92/692991292.db2.gz FAESSFWZRITWIP-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049841649 693017992 /nfs/dbraw/zinc/01/79/92/693017992.db2.gz SYKYFNYNCHFMGE-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841649 693017996 /nfs/dbraw/zinc/01/79/96/693017996.db2.gz SYKYFNYNCHFMGE-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841649 693017999 /nfs/dbraw/zinc/01/79/99/693017999.db2.gz SYKYFNYNCHFMGE-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067632 693098453 /nfs/dbraw/zinc/09/84/53/693098453.db2.gz PBLVIGNRBSGVCL-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067632 693098455 /nfs/dbraw/zinc/09/84/55/693098455.db2.gz PBLVIGNRBSGVCL-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067632 693098459 /nfs/dbraw/zinc/09/84/59/693098459.db2.gz PBLVIGNRBSGVCL-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050566693 693208400 /nfs/dbraw/zinc/20/84/00/693208400.db2.gz VXWVRRYXRTZRDQ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052444615 693536765 /nfs/dbraw/zinc/53/67/65/693536765.db2.gz GSEDQDOISGBPAX-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444615 693536767 /nfs/dbraw/zinc/53/67/67/693536767.db2.gz GSEDQDOISGBPAX-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052444615 693536770 /nfs/dbraw/zinc/53/67/70/693536770.db2.gz GSEDQDOISGBPAX-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446862 693537343 /nfs/dbraw/zinc/53/73/43/693537343.db2.gz RURMDJNFXIUANZ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446862 693537344 /nfs/dbraw/zinc/53/73/44/693537344.db2.gz RURMDJNFXIUANZ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446862 693537345 /nfs/dbraw/zinc/53/73/45/693537345.db2.gz RURMDJNFXIUANZ-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052713506 693602056 /nfs/dbraw/zinc/60/20/56/693602056.db2.gz YOJKSHDRJDBAFN-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052713506 693602060 /nfs/dbraw/zinc/60/20/60/693602060.db2.gz YOJKSHDRJDBAFN-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052713506 693602061 /nfs/dbraw/zinc/60/20/61/693602061.db2.gz YOJKSHDRJDBAFN-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051551 693677705 /nfs/dbraw/zinc/67/77/05/693677705.db2.gz NSCBEHIPDRWFMO-ZWKOTPCHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108478 693690637 /nfs/dbraw/zinc/69/06/37/693690637.db2.gz UTBCFHIVOZVPHR-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001402610485 1162409588 /nfs/dbraw/zinc/40/95/88/1162409588.db2.gz LFTOYRKSECMNNQ-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001402610485 1162409591 /nfs/dbraw/zinc/40/95/91/1162409591.db2.gz LFTOYRKSECMNNQ-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001402610485 1162409595 /nfs/dbraw/zinc/40/95/95/1162409595.db2.gz LFTOYRKSECMNNQ-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001382084190 1153351057 /nfs/dbraw/zinc/35/10/57/1153351057.db2.gz CCDOQHKGGIGWAR-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001403271838 1162833202 /nfs/dbraw/zinc/83/32/02/1162833202.db2.gz WMXRZYFVWCYUAT-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001403271841 1162833349 /nfs/dbraw/zinc/83/33/49/1162833349.db2.gz WMXRZYFVWCYUAT-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)CN(C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001394800039 1158783419 /nfs/dbraw/zinc/78/34/19/1158783419.db2.gz BYUWZJZIBHFHHA-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001397591022 1160351539 /nfs/dbraw/zinc/35/15/39/1160351539.db2.gz GRXLFAKUWXWUFQ-QLFBSQMISA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001421125138 1171512997 /nfs/dbraw/zinc/51/29/97/1171512997.db2.gz APCIQUGMLNZRFQ-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001422250551 1172437628 /nfs/dbraw/zinc/43/76/28/1172437628.db2.gz PPULWOXSAFAVCZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001422250551 1172437636 /nfs/dbraw/zinc/43/76/36/1172437636.db2.gz PPULWOXSAFAVCZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001422250551 1172437644 /nfs/dbraw/zinc/43/76/44/1172437644.db2.gz PPULWOXSAFAVCZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001422250551 1172437649 /nfs/dbraw/zinc/43/76/49/1172437649.db2.gz PPULWOXSAFAVCZ-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001422919500 1172933754 /nfs/dbraw/zinc/93/37/54/1172933754.db2.gz PSEKFROQVGVZOT-HOCLYGCPSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001438832181 1180824964 /nfs/dbraw/zinc/82/49/64/1180824964.db2.gz XHYREKQATNHPKX-CQSZACIVSA-N 2 1 317.905 2.447 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001441613981 1182091435 /nfs/dbraw/zinc/09/14/35/1182091435.db2.gz HLJHJUAUFUYODR-OAHLLOKOSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679448 1182125305 /nfs/dbraw/zinc/12/53/05/1182125305.db2.gz NMYIXDXWZWSHAT-CABCVRRESA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679448 1182125307 /nfs/dbraw/zinc/12/53/07/1182125307.db2.gz NMYIXDXWZWSHAT-CABCVRRESA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679453 1182126339 /nfs/dbraw/zinc/12/63/39/1182126339.db2.gz NMYIXDXWZWSHAT-GJZGRUSLSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679453 1182126341 /nfs/dbraw/zinc/12/63/41/1182126341.db2.gz NMYIXDXWZWSHAT-GJZGRUSLSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001441848651 1182212767 /nfs/dbraw/zinc/21/27/67/1182212767.db2.gz ZQGYAEXYHQYZKV-UONOGXRCSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001443920157 1183202013 /nfs/dbraw/zinc/20/20/13/1183202013.db2.gz UALKHLOUFTYCOS-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001445353110 1183844309 /nfs/dbraw/zinc/84/43/09/1183844309.db2.gz CLJKGPNCXIHJMS-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332012960 1149808085 /nfs/dbraw/zinc/80/80/85/1149808085.db2.gz HHTSILRSBBYXEU-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432274 782708374 /nfs/dbraw/zinc/70/83/74/782708374.db2.gz TYBKZRLXXZITNQ-BFYDXBDKSA-N 2 1 318.465 2.230 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420153 783086184 /nfs/dbraw/zinc/08/61/84/783086184.db2.gz KFUVJRYIZVKXRJ-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420153 783086188 /nfs/dbraw/zinc/08/61/88/783086188.db2.gz KFUVJRYIZVKXRJ-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420153 783086196 /nfs/dbraw/zinc/08/61/96/783086196.db2.gz KFUVJRYIZVKXRJ-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947494540 783152309 /nfs/dbraw/zinc/15/23/09/783152309.db2.gz ZBRYDXMFEQHOPE-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497989 783154314 /nfs/dbraw/zinc/15/43/14/783154314.db2.gz MXZBWZBTSQPVKM-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025293 790397130 /nfs/dbraw/zinc/39/71/30/790397130.db2.gz DTADGMBPOSPAOD-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025293 790397144 /nfs/dbraw/zinc/39/71/44/790397144.db2.gz DTADGMBPOSPAOD-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050382 790419134 /nfs/dbraw/zinc/41/91/34/790419134.db2.gz XMQHXMLKSKISHI-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050382 790419145 /nfs/dbraw/zinc/41/91/45/790419145.db2.gz XMQHXMLKSKISHI-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050382 790419155 /nfs/dbraw/zinc/41/91/55/790419155.db2.gz XMQHXMLKSKISHI-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](C)C(F)(F)F)CC1 ZINC001208903843 776638456 /nfs/dbraw/zinc/63/84/56/776638456.db2.gz ZEVGBNKJIOUAPK-HNNXBMFYSA-N 2 1 319.415 2.476 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385385 776979598 /nfs/dbraw/zinc/97/95/98/776979598.db2.gz AQMWIVIUVNRJDK-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908572 778244581 /nfs/dbraw/zinc/24/45/81/778244581.db2.gz BZCJTZACDHADJF-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(F)cn1 ZINC001167965445 779112815 /nfs/dbraw/zinc/11/28/15/779112815.db2.gz GAOXWNOGIRXAHN-GOOCMWNKSA-N 2 1 302.397 2.331 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671752 779406163 /nfs/dbraw/zinc/40/61/63/779406163.db2.gz OCYGMAAFQLGDCD-RCCFBDPRSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840655 779478585 /nfs/dbraw/zinc/47/85/85/779478585.db2.gz ICXCEBWBHCQLND-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840655 779478587 /nfs/dbraw/zinc/47/85/87/779478587.db2.gz ICXCEBWBHCQLND-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840655 779478588 /nfs/dbraw/zinc/47/85/88/779478588.db2.gz ICXCEBWBHCQLND-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001088390448 780062319 /nfs/dbraw/zinc/06/23/19/780062319.db2.gz NNYRCOZDVNJJKL-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623667 /nfs/dbraw/zinc/62/36/67/780623667.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623673 /nfs/dbraw/zinc/62/36/73/780623673.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088617004 780623677 /nfs/dbraw/zinc/62/36/77/780623677.db2.gz UZUMWFLNDAPZRV-IKGGRYGDSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177149 781155924 /nfs/dbraw/zinc/15/59/24/781155924.db2.gz NGBVFWHVEQWZTI-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177149 781155928 /nfs/dbraw/zinc/15/59/28/781155928.db2.gz NGBVFWHVEQWZTI-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177149 781155935 /nfs/dbraw/zinc/15/59/35/781155935.db2.gz NGBVFWHVEQWZTI-XLAORIBOSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001089639425 783309078 /nfs/dbraw/zinc/30/90/78/783309078.db2.gz VYARCZIWPTXDAJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639425 783309086 /nfs/dbraw/zinc/30/90/86/783309086.db2.gz VYARCZIWPTXDAJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639425 783309089 /nfs/dbraw/zinc/30/90/89/783309089.db2.gz VYARCZIWPTXDAJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639425 783309098 /nfs/dbraw/zinc/30/90/98/783309098.db2.gz VYARCZIWPTXDAJ-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385899 783448612 /nfs/dbraw/zinc/44/86/12/783448612.db2.gz QVKOEWHGSJOFRX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385899 783448614 /nfs/dbraw/zinc/44/86/14/783448614.db2.gz QVKOEWHGSJOFRX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385899 783448623 /nfs/dbraw/zinc/44/86/23/783448623.db2.gz QVKOEWHGSJOFRX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529407 783554076 /nfs/dbraw/zinc/55/40/76/783554076.db2.gz PLHIPWBTKAPCRR-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529408 783554311 /nfs/dbraw/zinc/55/43/11/783554311.db2.gz PLHIPWBTKAPCRR-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668885 783943688 /nfs/dbraw/zinc/94/36/88/783943688.db2.gz MUIDLXTVPHUENJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695630 783972423 /nfs/dbraw/zinc/97/24/23/783972423.db2.gz ODAJXNJKUNSBAK-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918421 784211735 /nfs/dbraw/zinc/21/17/35/784211735.db2.gz CMINIVPTMDUKAN-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918421 784211739 /nfs/dbraw/zinc/21/17/39/784211739.db2.gz CMINIVPTMDUKAN-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918421 784211752 /nfs/dbraw/zinc/21/17/52/784211752.db2.gz CMINIVPTMDUKAN-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986826 784283255 /nfs/dbraw/zinc/28/32/55/784283255.db2.gz NTLMKEBUWQXQNG-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986825 784284629 /nfs/dbraw/zinc/28/46/29/784284629.db2.gz NTLMKEBUWQXQNG-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378446 784338861 /nfs/dbraw/zinc/33/88/61/784338861.db2.gz PXVDAUNBTCPXBM-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378446 784338870 /nfs/dbraw/zinc/33/88/70/784338870.db2.gz PXVDAUNBTCPXBM-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856078 784621884 /nfs/dbraw/zinc/62/18/84/784621884.db2.gz DDURTYFXVPGIKO-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925699 784653922 /nfs/dbraw/zinc/65/39/22/784653922.db2.gz KVRWSNRPGNITQW-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002453 784687645 /nfs/dbraw/zinc/68/76/45/784687645.db2.gz TZTPJPJIEFWPPH-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002453 784687654 /nfs/dbraw/zinc/68/76/54/784687654.db2.gz TZTPJPJIEFWPPH-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002453 784687660 /nfs/dbraw/zinc/68/76/60/784687660.db2.gz TZTPJPJIEFWPPH-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114847 791048969 /nfs/dbraw/zinc/04/89/69/791048969.db2.gz KGWIFLYGOMOFTQ-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014339 784689399 /nfs/dbraw/zinc/68/93/99/784689399.db2.gz YBGCMHBQOJDQGW-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001007457368 784925720 /nfs/dbraw/zinc/92/57/20/784925720.db2.gz MGHPJWQBSCKWPM-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751413 784991281 /nfs/dbraw/zinc/99/12/81/784991281.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751413 784991284 /nfs/dbraw/zinc/99/12/84/784991284.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751413 784991285 /nfs/dbraw/zinc/99/12/85/784991285.db2.gz ZHGBGKNCLDFXOX-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237061 791082773 /nfs/dbraw/zinc/08/27/73/791082773.db2.gz OKNCCSBQZDTEFT-MSOLQXFVSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncn1C)C2 ZINC001110053793 786143448 /nfs/dbraw/zinc/14/34/48/786143448.db2.gz YBWSZVNLMHPFTK-PVAVHDDUSA-N 2 1 316.449 2.040 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979836 786341370 /nfs/dbraw/zinc/34/13/70/786341370.db2.gz IYYJSGASMNRKTA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026815 787346707 /nfs/dbraw/zinc/34/67/07/787346707.db2.gz HPLDETPMEMOQCZ-JKSUJKDBSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026815 787346712 /nfs/dbraw/zinc/34/67/12/787346712.db2.gz HPLDETPMEMOQCZ-JKSUJKDBSA-N 2 1 323.481 2.225 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096268145 787599502 /nfs/dbraw/zinc/59/95/02/787599502.db2.gz KBFUYPPHJHPNIG-IKGGRYGDSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219402 788024727 /nfs/dbraw/zinc/02/47/27/788024727.db2.gz DSGRNEPAIAWYPG-WCVJEAGWSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219402 788024734 /nfs/dbraw/zinc/02/47/34/788024734.db2.gz DSGRNEPAIAWYPG-WCVJEAGWSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493581 788104113 /nfs/dbraw/zinc/10/41/13/788104113.db2.gz MGPQCTGPYCHETR-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CN(C)Cc2ccccc2)CC[C@@H]1C ZINC001132541316 788118516 /nfs/dbraw/zinc/11/85/16/788118516.db2.gz CVMAMHLASMIAOY-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888311 788219225 /nfs/dbraw/zinc/21/92/25/788219225.db2.gz MBXVWFVWZVYBMY-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123049 788289021 /nfs/dbraw/zinc/28/90/21/788289021.db2.gz XYZUPKQGHLBJRA-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263583 788339719 /nfs/dbraw/zinc/33/97/19/788339719.db2.gz XUZSAUAPLAMUMI-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868933 789562099 /nfs/dbraw/zinc/56/20/99/789562099.db2.gz XBQZGULJUHGRMU-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086849018 791567508 /nfs/dbraw/zinc/56/75/08/791567508.db2.gz RVBLYIOSSLOZBZ-KSZLIROESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001098760767 791696223 /nfs/dbraw/zinc/69/62/23/791696223.db2.gz IUYAFZBPSTYNOY-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001098760767 791696235 /nfs/dbraw/zinc/69/62/35/791696235.db2.gz IUYAFZBPSTYNOY-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098760767 791696240 /nfs/dbraw/zinc/69/62/40/791696240.db2.gz IUYAFZBPSTYNOY-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001098760767 791696248 /nfs/dbraw/zinc/69/62/48/791696248.db2.gz IUYAFZBPSTYNOY-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091737080 791783293 /nfs/dbraw/zinc/78/32/93/791783293.db2.gz IJDZOVTTWNIHLT-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737080 791783295 /nfs/dbraw/zinc/78/32/95/791783295.db2.gz IJDZOVTTWNIHLT-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737080 791783297 /nfs/dbraw/zinc/78/32/97/791783297.db2.gz IJDZOVTTWNIHLT-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900038 791814810 /nfs/dbraw/zinc/81/48/10/791814810.db2.gz PQSJBNUUUIUQGJ-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956435 791864224 /nfs/dbraw/zinc/86/42/24/791864224.db2.gz NPBAJJMRQSCKEY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922914 /nfs/dbraw/zinc/92/29/14/791922914.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922917 /nfs/dbraw/zinc/92/29/17/791922917.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092015137 791922918 /nfs/dbraw/zinc/92/29/18/791922918.db2.gz KGMQZKWAVPEYCY-APWZRJJASA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835053 791957955 /nfs/dbraw/zinc/95/79/55/791957955.db2.gz IPPPUQAYZGDVFO-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835053 791957962 /nfs/dbraw/zinc/95/79/62/791957962.db2.gz IPPPUQAYZGDVFO-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835053 791957969 /nfs/dbraw/zinc/95/79/69/791957969.db2.gz IPPPUQAYZGDVFO-SCTDSRPQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001099026508 792044105 /nfs/dbraw/zinc/04/41/05/792044105.db2.gz CRKYBRDBPIYXQQ-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099026508 792044114 /nfs/dbraw/zinc/04/41/14/792044114.db2.gz CRKYBRDBPIYXQQ-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099026508 792044123 /nfs/dbraw/zinc/04/41/23/792044123.db2.gz CRKYBRDBPIYXQQ-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062880 792068687 /nfs/dbraw/zinc/06/86/87/792068687.db2.gz KTUMZDXBWUTYCC-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099111205 792099577 /nfs/dbraw/zinc/09/95/77/792099577.db2.gz VCPUNQXQNWVOPM-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527847 792231200 /nfs/dbraw/zinc/23/12/00/792231200.db2.gz DNNPUBAHBAUBCV-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551697 792239247 /nfs/dbraw/zinc/23/92/47/792239247.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551697 792239256 /nfs/dbraw/zinc/23/92/56/792239256.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551697 792239260 /nfs/dbraw/zinc/23/92/60/792239260.db2.gz BPOBKWUYRODDBM-FJIDUMEYSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412893 792907394 /nfs/dbraw/zinc/90/73/94/792907394.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412893 792907402 /nfs/dbraw/zinc/90/74/02/792907402.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412893 792907407 /nfs/dbraw/zinc/90/74/07/792907407.db2.gz OXTWOGXSLDRFFT-YQVWRLOYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101438505 793160816 /nfs/dbraw/zinc/16/08/16/793160816.db2.gz CFCSFRXSWLETPE-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438505 793160828 /nfs/dbraw/zinc/16/08/28/793160828.db2.gz CFCSFRXSWLETPE-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438505 793160840 /nfs/dbraw/zinc/16/08/40/793160840.db2.gz CFCSFRXSWLETPE-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171634699 793170791 /nfs/dbraw/zinc/17/07/91/793170791.db2.gz WXHDTUATPWPDFB-IAGOWNOFSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522214 793205429 /nfs/dbraw/zinc/20/54/29/793205429.db2.gz QDIRHHQNPSHFPB-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625867 /nfs/dbraw/zinc/62/58/67/793625867.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625874 /nfs/dbraw/zinc/62/58/74/793625874.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472157 793625879 /nfs/dbraw/zinc/62/58/79/793625879.db2.gz KXAUOSSXHXLGFB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507708 793636234 /nfs/dbraw/zinc/63/62/34/793636234.db2.gz KSHYVLYNVYZKHC-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090032 793937682 /nfs/dbraw/zinc/93/76/82/793937682.db2.gz JSXIMSVWZIZMNN-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090032 793937688 /nfs/dbraw/zinc/93/76/88/793937688.db2.gz JSXIMSVWZIZMNN-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090032 793937696 /nfs/dbraw/zinc/93/76/96/793937696.db2.gz JSXIMSVWZIZMNN-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103138557 793952171 /nfs/dbraw/zinc/95/21/71/793952171.db2.gz REGXSFKSMIMATG-BPLDGKMQSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656052 794179191 /nfs/dbraw/zinc/17/91/91/794179191.db2.gz QEMODJLQNUKUHD-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000073 794341401 /nfs/dbraw/zinc/34/14/01/794341401.db2.gz UZKUBTZAHQDNGM-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820506 794506824 /nfs/dbraw/zinc/50/68/24/794506824.db2.gz OJUNCAHZDRVOTN-QGZVFWFLSA-N 2 1 315.461 2.016 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820506 794506832 /nfs/dbraw/zinc/50/68/32/794506832.db2.gz OJUNCAHZDRVOTN-QGZVFWFLSA-N 2 1 315.461 2.016 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868969 794506989 /nfs/dbraw/zinc/50/69/89/794506989.db2.gz SFHSIUBCBGEGPA-JZXOWHBKSA-N 2 1 307.482 2.264 20 30 DEEDMP CNC(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)=[NH+]C ZINC000693764677 794518375 /nfs/dbraw/zinc/51/83/75/794518375.db2.gz CZFIOSLFWSWJIX-MRXNPFEDSA-N 2 1 300.450 2.084 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003715 794542882 /nfs/dbraw/zinc/54/28/82/794542882.db2.gz AJOZBSZRTFKRFQ-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115303224 794728452 /nfs/dbraw/zinc/72/84/52/794728452.db2.gz ZHJLXNYMQNWMPQ-MLHJIOFPSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCOCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001178412332 794921747 /nfs/dbraw/zinc/92/17/47/794921747.db2.gz MQYJQHDHLFOJFX-UHFFFAOYSA-N 2 1 321.440 2.260 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179591253 795139805 /nfs/dbraw/zinc/13/98/05/795139805.db2.gz RJDVEMZUMMMOIA-SJORKVTESA-N 2 1 309.498 2.417 20 30 DEEDMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC001118091211 795152311 /nfs/dbraw/zinc/15/23/11/795152311.db2.gz UOMOPGITWQYNEH-UHFFFAOYSA-N 2 1 314.433 2.351 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448881 795462139 /nfs/dbraw/zinc/46/21/39/795462139.db2.gz HYEZEMJVDOBXPF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448881 795462143 /nfs/dbraw/zinc/46/21/43/795462143.db2.gz HYEZEMJVDOBXPF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448881 795462147 /nfs/dbraw/zinc/46/21/47/795462147.db2.gz HYEZEMJVDOBXPF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650056 796298585 /nfs/dbraw/zinc/29/85/85/796298585.db2.gz BDFWQHGUCIYQLE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083917 796934757 /nfs/dbraw/zinc/93/47/57/796934757.db2.gz HKFHCDOVZWZCEE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083917 796934759 /nfs/dbraw/zinc/93/47/59/796934759.db2.gz HKFHCDOVZWZCEE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083917 796934761 /nfs/dbraw/zinc/93/47/61/796934761.db2.gz HKFHCDOVZWZCEE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080603 797134335 /nfs/dbraw/zinc/13/43/35/797134335.db2.gz JQHHDHZFJUIQGN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080603 797134336 /nfs/dbraw/zinc/13/43/36/797134336.db2.gz JQHHDHZFJUIQGN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080603 797134338 /nfs/dbraw/zinc/13/43/38/797134338.db2.gz JQHHDHZFJUIQGN-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542870 797219862 /nfs/dbraw/zinc/21/98/62/797219862.db2.gz JIKKRZLBXTYXRG-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027220 797491981 /nfs/dbraw/zinc/49/19/81/797491981.db2.gz NUNYONWAUXKCSK-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601125 797601901 /nfs/dbraw/zinc/60/19/01/797601901.db2.gz SQDQJKYECOVWFX-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601125 797601904 /nfs/dbraw/zinc/60/19/04/797601904.db2.gz SQDQJKYECOVWFX-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601125 797601907 /nfs/dbraw/zinc/60/19/07/797601907.db2.gz SQDQJKYECOVWFX-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601125 797601911 /nfs/dbraw/zinc/60/19/11/797601911.db2.gz SQDQJKYECOVWFX-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001193696058 797614458 /nfs/dbraw/zinc/61/44/58/797614458.db2.gz PNYHMSLGHOCBBR-DZGCQCFKSA-N 2 1 304.438 2.148 20 30 DEEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026692 797665265 /nfs/dbraw/zinc/66/52/65/797665265.db2.gz ITWIXWMNZAHZQR-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026692 797665269 /nfs/dbraw/zinc/66/52/69/797665269.db2.gz ITWIXWMNZAHZQR-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001808 797667294 /nfs/dbraw/zinc/66/72/94/797667294.db2.gz KVEICPVOYAHQOG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001808 797667296 /nfs/dbraw/zinc/66/72/96/797667296.db2.gz KVEICPVOYAHQOG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001808 797667299 /nfs/dbraw/zinc/66/72/99/797667299.db2.gz KVEICPVOYAHQOG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246901 797699687 /nfs/dbraw/zinc/69/96/87/797699687.db2.gz SSGGJEPXIZWYQT-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226877 797712393 /nfs/dbraw/zinc/71/23/93/797712393.db2.gz QECOCIVUAIUAQI-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226877 797712396 /nfs/dbraw/zinc/71/23/96/797712396.db2.gz QECOCIVUAIUAQI-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226877 797712398 /nfs/dbraw/zinc/71/23/98/797712398.db2.gz QECOCIVUAIUAQI-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226877 797712399 /nfs/dbraw/zinc/71/23/99/797712399.db2.gz QECOCIVUAIUAQI-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171127 798016642 /nfs/dbraw/zinc/01/66/42/798016642.db2.gz JHYARPXHOHWKMR-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001196171127 798016647 /nfs/dbraw/zinc/01/66/47/798016647.db2.gz JHYARPXHOHWKMR-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001196171127 798016653 /nfs/dbraw/zinc/01/66/53/798016653.db2.gz JHYARPXHOHWKMR-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197049938 798138306 /nfs/dbraw/zinc/13/83/06/798138306.db2.gz ZTOPACNRJFZUAT-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866621 798481926 /nfs/dbraw/zinc/48/19/26/798481926.db2.gz TYNJTWKNHAMAME-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158866621 798481928 /nfs/dbraw/zinc/48/19/28/798481928.db2.gz TYNJTWKNHAMAME-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158866621 798481931 /nfs/dbraw/zinc/48/19/31/798481931.db2.gz TYNJTWKNHAMAME-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577745 798651868 /nfs/dbraw/zinc/65/18/68/798651868.db2.gz FSVSSFFNZLYLDI-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160132006 798652409 /nfs/dbraw/zinc/65/24/09/798652409.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132006 798652412 /nfs/dbraw/zinc/65/24/12/798652412.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160132006 798652415 /nfs/dbraw/zinc/65/24/15/798652415.db2.gz ZPIDZBLBSMCROC-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578166 798652838 /nfs/dbraw/zinc/65/28/38/798652838.db2.gz NEKPXMFPAFFBAD-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160359865 798679347 /nfs/dbraw/zinc/67/93/47/798679347.db2.gz DIKHVXHEXQJUOR-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160359865 798679349 /nfs/dbraw/zinc/67/93/49/798679349.db2.gz DIKHVXHEXQJUOR-INIZCTEOSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053198 798711137 /nfs/dbraw/zinc/71/11/37/798711137.db2.gz MRIBDWSPITVCEK-INIZCTEOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207433 798810390 /nfs/dbraw/zinc/81/03/90/798810390.db2.gz UDHNQSDUHYOFLH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207433 798810395 /nfs/dbraw/zinc/81/03/95/798810395.db2.gz UDHNQSDUHYOFLH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207433 798810400 /nfs/dbraw/zinc/81/04/00/798810400.db2.gz UDHNQSDUHYOFLH-WMZOPIPTSA-N 2 1 319.493 2.289 20 30 DEEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)c(F)cc1C#N ZINC001163122823 799251845 /nfs/dbraw/zinc/25/18/45/799251845.db2.gz RFGWZGPVBJWTBX-UHFFFAOYSA-N 2 1 312.780 2.024 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728831 799766433 /nfs/dbraw/zinc/76/64/33/799766433.db2.gz VOTGYUHRFQWWHO-CVEARBPZSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519079 800367959 /nfs/dbraw/zinc/36/79/59/800367959.db2.gz UTBYMMSMCSGBGB-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006770 800457387 /nfs/dbraw/zinc/45/73/87/800457387.db2.gz QQOKETIVMKFADN-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCN(CC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1)C(=O)OCC ZINC001206579942 800557562 /nfs/dbraw/zinc/55/75/62/800557562.db2.gz BKUUPWYBVFFRAU-INIZCTEOSA-N 2 1 311.470 2.483 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872467 800611646 /nfs/dbraw/zinc/61/16/46/800611646.db2.gz FZJQNEBGYYFMLJ-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111129647 800847076 /nfs/dbraw/zinc/84/70/76/800847076.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111129647 800847082 /nfs/dbraw/zinc/84/70/82/800847082.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111129647 800847086 /nfs/dbraw/zinc/84/70/86/800847086.db2.gz ZTBUQTSLIATXDF-SVGFKBNWSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161424 800854962 /nfs/dbraw/zinc/85/49/62/800854962.db2.gz JCQRVFMNRMGLEF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161424 800854967 /nfs/dbraw/zinc/85/49/67/800854967.db2.gz JCQRVFMNRMGLEF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161424 800854972 /nfs/dbraw/zinc/85/49/72/800854972.db2.gz JCQRVFMNRMGLEF-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988762 800884578 /nfs/dbraw/zinc/88/45/78/800884578.db2.gz UXGDETPNGPGWRJ-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208460208 800987897 /nfs/dbraw/zinc/98/78/97/800987897.db2.gz QAWVUOJZWOTTJQ-INIZCTEOSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147282 801365254 /nfs/dbraw/zinc/36/52/54/801365254.db2.gz BJDUVGSNKVQFTN-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619332 801438244 /nfs/dbraw/zinc/43/82/44/801438244.db2.gz XQPLOJQRUHNOBL-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214853055 801767025 /nfs/dbraw/zinc/76/70/25/801767025.db2.gz QHXNRSZVZUFLPH-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036033 801792819 /nfs/dbraw/zinc/79/28/19/801792819.db2.gz MFYCHQBOMLQOBJ-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228360 801823167 /nfs/dbraw/zinc/82/31/67/801823167.db2.gz MKZZCDXGWXGZIA-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934532 801919645 /nfs/dbraw/zinc/91/96/45/801919645.db2.gz XHCDJWFULCGOBK-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP N#Cc1cc[nH]c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233046151 802014712 /nfs/dbraw/zinc/01/47/12/802014712.db2.gz NXDDSKPNSOYLJY-UHFFFAOYSA-N 2 1 316.449 2.211 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234644366 802439727 /nfs/dbraw/zinc/43/97/27/802439727.db2.gz TXYDXQDAODNQQZ-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692969 802603044 /nfs/dbraw/zinc/60/30/44/802603044.db2.gz VHXGXOARDBLARA-USXIJHARSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692969 802603050 /nfs/dbraw/zinc/60/30/50/802603050.db2.gz VHXGXOARDBLARA-USXIJHARSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221882906 802624115 /nfs/dbraw/zinc/62/41/15/802624115.db2.gz HYBSZCAKHFSYNN-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226830570 803166859 /nfs/dbraw/zinc/16/68/59/803166859.db2.gz JIOKDBWQMUZLFT-IAGOWNOFSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001330900418 1149328161 /nfs/dbraw/zinc/32/81/61/1149328161.db2.gz OJBDRMBDLRJRQE-IAGOWNOFSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843708 1150890677 /nfs/dbraw/zinc/89/06/77/1150890677.db2.gz JWRKIUBQJUTWRH-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479843708 1150890681 /nfs/dbraw/zinc/89/06/81/1150890681.db2.gz JWRKIUBQJUTWRH-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479843708 1150890684 /nfs/dbraw/zinc/89/06/84/1150890684.db2.gz JWRKIUBQJUTWRH-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328414001 1148789112 /nfs/dbraw/zinc/78/91/12/1148789112.db2.gz XLUSHRXRPLENDQ-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796422 1148836624 /nfs/dbraw/zinc/83/66/24/1148836624.db2.gz HJCBRJHDJGTSRV-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001500088057 1058483574 /nfs/dbraw/zinc/48/35/74/1058483574.db2.gz IPLQPURUOKYUDC-DLBZAZTESA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001501399192 1059487875 /nfs/dbraw/zinc/48/78/75/1059487875.db2.gz CMWUYMISPXBJMP-OKZBNKHCSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394624 1059488189 /nfs/dbraw/zinc/48/81/89/1059488189.db2.gz IJCITNYGFVGACP-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001502337915 1060050830 /nfs/dbraw/zinc/05/08/30/1060050830.db2.gz BLKCATIVAKBIAK-UHFFFAOYSA-N 2 1 321.490 2.227 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001479370056 1061419339 /nfs/dbraw/zinc/41/93/39/1061419339.db2.gz ICKBTNRHLGLZRC-JYJNAYRXSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479468629 1061468954 /nfs/dbraw/zinc/46/89/54/1061468954.db2.gz QBIGMUXZANFKKH-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479778680 1061741657 /nfs/dbraw/zinc/74/16/57/1061741657.db2.gz XFOCFUBRJSIMBO-UHFFFAOYSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001479889005 1061993606 /nfs/dbraw/zinc/99/36/06/1061993606.db2.gz QOQCENXILCQOHB-HZPDHXFCSA-N 2 1 316.449 2.402 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001506543098 1062109147 /nfs/dbraw/zinc/10/91/47/1062109147.db2.gz PSHIEWDBKGMHIN-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001479989776 1062150783 /nfs/dbraw/zinc/15/07/83/1062150783.db2.gz UFJSKGIYKHGKNT-MRXNPFEDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001506962587 1062603907 /nfs/dbraw/zinc/60/39/07/1062603907.db2.gz RZZFAXJMTWLAQD-KRWDZBQOSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001480408374 1062819243 /nfs/dbraw/zinc/81/92/43/1062819243.db2.gz RGYSFKYGVHQCRM-GTPINHCMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001508107018 1063561388 /nfs/dbraw/zinc/56/13/88/1063561388.db2.gz WMBPYTWXOUNROX-OFLPRAFFSA-N 2 1 307.482 2.404 20 30 DEEDMP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001508128770 1063570770 /nfs/dbraw/zinc/57/07/70/1063570770.db2.gz JJQCLPBLWMEZLX-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256342 1063671501 /nfs/dbraw/zinc/67/15/01/1063671501.db2.gz AXKWTCJAZCXJJM-JKSUJKDBSA-N 2 1 318.465 2.146 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001493260814 1063677263 /nfs/dbraw/zinc/67/72/63/1063677263.db2.gz UQGGPRFSTSQTQF-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493260814 1063677269 /nfs/dbraw/zinc/67/72/69/1063677269.db2.gz UQGGPRFSTSQTQF-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493260814 1063677271 /nfs/dbraw/zinc/67/72/71/1063677271.db2.gz UQGGPRFSTSQTQF-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266573 1063680620 /nfs/dbraw/zinc/68/06/20/1063680620.db2.gz HTXDCQQWNRPLMN-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266573 1063680624 /nfs/dbraw/zinc/68/06/24/1063680624.db2.gz HTXDCQQWNRPLMN-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001493405200 1063777301 /nfs/dbraw/zinc/77/73/01/1063777301.db2.gz VLWPJARELMPWJT-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001493405200 1063777320 /nfs/dbraw/zinc/77/73/20/1063777320.db2.gz VLWPJARELMPWJT-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001493574952 1063870312 /nfs/dbraw/zinc/87/03/12/1063870312.db2.gz PFHHBBGTTFNUKK-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969366 1064049621 /nfs/dbraw/zinc/04/96/21/1064049621.db2.gz ZPXLKGNUWBLAIR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493969366 1064049632 /nfs/dbraw/zinc/04/96/32/1064049632.db2.gz ZPXLKGNUWBLAIR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493969366 1064049638 /nfs/dbraw/zinc/04/96/38/1064049638.db2.gz ZPXLKGNUWBLAIR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178456 1064159368 /nfs/dbraw/zinc/15/93/68/1064159368.db2.gz KDZDNEZSBABDHT-FUHWJXTLSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178456 1064159372 /nfs/dbraw/zinc/15/93/72/1064159372.db2.gz KDZDNEZSBABDHT-FUHWJXTLSA-N 2 1 315.461 2.256 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001494210228 1064174579 /nfs/dbraw/zinc/17/45/79/1064174579.db2.gz DJLFJDNVOQAYFD-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001494210228 1064174585 /nfs/dbraw/zinc/17/45/85/1064174585.db2.gz DJLFJDNVOQAYFD-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001494210228 1064174593 /nfs/dbraw/zinc/17/45/93/1064174593.db2.gz DJLFJDNVOQAYFD-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001494214522 1064177884 /nfs/dbraw/zinc/17/78/84/1064177884.db2.gz LCIJKCKSWGVJPK-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567701242 1064357530 /nfs/dbraw/zinc/35/75/30/1064357530.db2.gz FOIGUHIBRHGCIJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567701242 1064357547 /nfs/dbraw/zinc/35/75/47/1064357547.db2.gz FOIGUHIBRHGCIJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567701242 1064357563 /nfs/dbraw/zinc/35/75/63/1064357563.db2.gz FOIGUHIBRHGCIJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567712779 1064371188 /nfs/dbraw/zinc/37/11/88/1064371188.db2.gz QIFWPTIZNUWPMC-KRWDZBQOSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567713199 1064371616 /nfs/dbraw/zinc/37/16/16/1064371616.db2.gz YSYMDTXNZROACL-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567713199 1064371623 /nfs/dbraw/zinc/37/16/23/1064371623.db2.gz YSYMDTXNZROACL-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567713199 1064371633 /nfs/dbraw/zinc/37/16/33/1064371633.db2.gz YSYMDTXNZROACL-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001567729677 1064381344 /nfs/dbraw/zinc/38/13/44/1064381344.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729677 1064381355 /nfs/dbraw/zinc/38/13/55/1064381355.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001567729677 1064381368 /nfs/dbraw/zinc/38/13/68/1064381368.db2.gz LRAWMDFXYAVBEH-HZPDHXFCSA-N 2 1 318.465 2.477 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001494709486 1064426147 /nfs/dbraw/zinc/42/61/47/1064426147.db2.gz IQZRLGCXQQYECP-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001494709486 1064426149 /nfs/dbraw/zinc/42/61/49/1064426149.db2.gz IQZRLGCXQQYECP-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976717 1064573679 /nfs/dbraw/zinc/57/36/79/1064573679.db2.gz IWGJDOKSJWYQGK-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001568004476 1064589478 /nfs/dbraw/zinc/58/94/78/1064589478.db2.gz AOBFVRDZINFNHK-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001568057992 1064623113 /nfs/dbraw/zinc/62/31/13/1064623113.db2.gz ZKXOIFWRJDUTCS-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001568120051 1064656906 /nfs/dbraw/zinc/65/69/06/1064656906.db2.gz MMVZYDDHVXGXNB-YJBOKZPZSA-N 2 1 315.461 2.309 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001568253085 1064730050 /nfs/dbraw/zinc/73/00/50/1064730050.db2.gz XIOKAKWGSWSWFK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001568346782 1064794066 /nfs/dbraw/zinc/79/40/66/1064794066.db2.gz NXQAVAQNXAUXCB-WMZOPIPTSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001495414619 1064891205 /nfs/dbraw/zinc/89/12/05/1064891205.db2.gz CZUWFOZPOCVHGZ-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001495433144 1064902831 /nfs/dbraw/zinc/90/28/31/1064902831.db2.gz UGHVWDAZOARICB-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001568487733 1064906733 /nfs/dbraw/zinc/90/67/33/1064906733.db2.gz NIJHPHSNFYVSRX-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001568487733 1064906742 /nfs/dbraw/zinc/90/67/42/1064906742.db2.gz NIJHPHSNFYVSRX-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001568487733 1064906754 /nfs/dbraw/zinc/90/67/54/1064906754.db2.gz NIJHPHSNFYVSRX-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001495519880 1064961229 /nfs/dbraw/zinc/96/12/29/1064961229.db2.gz JROCHFXQICVDTF-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569359568 1065454457 /nfs/dbraw/zinc/45/44/57/1065454457.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569359568 1065454462 /nfs/dbraw/zinc/45/44/62/1065454462.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569359568 1065454466 /nfs/dbraw/zinc/45/44/66/1065454466.db2.gz IIMMCTUWZVLTFV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569668932 1065660714 /nfs/dbraw/zinc/66/07/14/1065660714.db2.gz DFOFDUFOVLBAAH-AEFFLSMTSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001496861149 1065760889 /nfs/dbraw/zinc/76/08/89/1065760889.db2.gz FPAXKNHZOGKTHF-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001496861149 1065760907 /nfs/dbraw/zinc/76/09/07/1065760907.db2.gz FPAXKNHZOGKTHF-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001496861908 1065762751 /nfs/dbraw/zinc/76/27/51/1065762751.db2.gz VBILBAYUTGIUJK-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001496861908 1065762761 /nfs/dbraw/zinc/76/27/61/1065762761.db2.gz VBILBAYUTGIUJK-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001569847964 1065764141 /nfs/dbraw/zinc/76/41/41/1065764141.db2.gz BEAPSGCKNBVDMZ-JKSUJKDBSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001570106922 1065926550 /nfs/dbraw/zinc/92/65/50/1065926550.db2.gz MUNOGXAIHFEYCL-INIZCTEOSA-N 2 1 305.466 2.208 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001497400784 1066073944 /nfs/dbraw/zinc/07/39/44/1066073944.db2.gz KVGARTWMFJGLSM-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570544594 1067996788 /nfs/dbraw/zinc/99/67/88/1067996788.db2.gz ZJVWWDNSDRLZDX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570544594 1067996791 /nfs/dbraw/zinc/99/67/91/1067996791.db2.gz ZJVWWDNSDRLZDX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570544594 1067996799 /nfs/dbraw/zinc/99/67/99/1067996799.db2.gz ZJVWWDNSDRLZDX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267172201 1078636851 /nfs/dbraw/zinc/63/68/51/1078636851.db2.gz YNDXAZJODACJLL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267172201 1078636852 /nfs/dbraw/zinc/63/68/52/1078636852.db2.gz YNDXAZJODACJLL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001267172201 1078636853 /nfs/dbraw/zinc/63/68/53/1078636853.db2.gz YNDXAZJODACJLL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267181744 1078645809 /nfs/dbraw/zinc/64/58/09/1078645809.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267181744 1078645817 /nfs/dbraw/zinc/64/58/17/1078645817.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267181744 1078645823 /nfs/dbraw/zinc/64/58/23/1078645823.db2.gz NBHXLRBAWRGYAT-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823091 1068128678 /nfs/dbraw/zinc/12/86/78/1068128678.db2.gz QSQOARXIYKJMAH-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001571017123 1068173895 /nfs/dbraw/zinc/17/38/95/1068173895.db2.gz YFBCZWYXGPRILU-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001571017123 1068173897 /nfs/dbraw/zinc/17/38/97/1068173897.db2.gz YFBCZWYXGPRILU-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001571017123 1068173899 /nfs/dbraw/zinc/17/38/99/1068173899.db2.gz YFBCZWYXGPRILU-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267293142 1078738871 /nfs/dbraw/zinc/73/88/71/1078738871.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267293142 1078738877 /nfs/dbraw/zinc/73/88/77/1078738877.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267293142 1078738880 /nfs/dbraw/zinc/73/88/80/1078738880.db2.gz MNMHDLRKPWFTAK-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483710183 1078840973 /nfs/dbraw/zinc/84/09/73/1078840973.db2.gz VRWPETNAHKRRDE-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483710183 1078840980 /nfs/dbraw/zinc/84/09/80/1078840980.db2.gz VRWPETNAHKRRDE-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP CCC#C[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001644602651 1078851630 /nfs/dbraw/zinc/85/16/30/1078851630.db2.gz AYTNKFIQEIBIDT-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001542359339 1072457547 /nfs/dbraw/zinc/45/75/47/1072457547.db2.gz DXMQGVFHVNBZLO-UHFFFAOYSA-N 2 1 315.461 2.057 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267496195 1078921682 /nfs/dbraw/zinc/92/16/82/1078921682.db2.gz OOZIJYPORQTOQQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267496195 1078921686 /nfs/dbraw/zinc/92/16/86/1078921686.db2.gz OOZIJYPORQTOQQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267496195 1078921688 /nfs/dbraw/zinc/92/16/88/1078921688.db2.gz OOZIJYPORQTOQQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267520552 1078951067 /nfs/dbraw/zinc/95/10/67/1078951067.db2.gz MFUFJRFXGCAXGO-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267547586 1078979334 /nfs/dbraw/zinc/97/93/34/1078979334.db2.gz PMSNWBJJSOORSI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267547586 1078979342 /nfs/dbraw/zinc/97/93/42/1078979342.db2.gz PMSNWBJJSOORSI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267547586 1078979345 /nfs/dbraw/zinc/97/93/45/1078979345.db2.gz PMSNWBJJSOORSI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267566553 1079000675 /nfs/dbraw/zinc/00/06/75/1079000675.db2.gz GGSYRIKZIRRISN-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593988 1079109190 /nfs/dbraw/zinc/10/91/90/1079109190.db2.gz WMZUIDOLXQAKSP-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267595307 1079111892 /nfs/dbraw/zinc/11/18/92/1079111892.db2.gz HISXPJVLVUWCMV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001649462378 1079130684 /nfs/dbraw/zinc/13/06/84/1079130684.db2.gz VSXYGWMVQUAMTL-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832224 1079142445 /nfs/dbraw/zinc/14/24/45/1079142445.db2.gz FHPUQTNQMCRMIJ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001565835645 1075193394 /nfs/dbraw/zinc/19/33/94/1075193394.db2.gz QSIXKMRENLCGDB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001565835645 1075193399 /nfs/dbraw/zinc/19/33/99/1075193399.db2.gz QSIXKMRENLCGDB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001565835645 1075193404 /nfs/dbraw/zinc/19/34/04/1075193404.db2.gz QSIXKMRENLCGDB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942706 1075208783 /nfs/dbraw/zinc/20/87/83/1075208783.db2.gz DKHPPYNCNBJXOC-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001566016464 1075216952 /nfs/dbraw/zinc/21/69/52/1075216952.db2.gz OOGHFCORUXGPDX-DLBZAZTESA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1CC ZINC001566016464 1075216954 /nfs/dbraw/zinc/21/69/54/1075216954.db2.gz OOGHFCORUXGPDX-DLBZAZTESA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1CC ZINC001566016464 1075216959 /nfs/dbraw/zinc/21/69/59/1075216959.db2.gz OOGHFCORUXGPDX-DLBZAZTESA-N 2 1 319.493 2.242 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001566048386 1075220509 /nfs/dbraw/zinc/22/05/09/1075220509.db2.gz LPGZBUIEBNBQFA-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001566066997 1075223647 /nfs/dbraw/zinc/22/36/47/1075223647.db2.gz BETIVIOESXTBRV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001566947931 1075396145 /nfs/dbraw/zinc/39/61/45/1075396145.db2.gz NBJPYYYIEDBDFT-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567171701 1075452615 /nfs/dbraw/zinc/45/26/15/1075452615.db2.gz HNVWDGUIDDWKOT-IAGOWNOFSA-N 2 1 316.449 2.012 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001484769377 1079786765 /nfs/dbraw/zinc/78/67/65/1079786765.db2.gz TUFHQQMSXXKHAI-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001484772232 1079787646 /nfs/dbraw/zinc/78/76/46/1079787646.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772232 1079787653 /nfs/dbraw/zinc/78/76/53/1079787653.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772232 1079787662 /nfs/dbraw/zinc/78/76/62/1079787662.db2.gz ORIKTOSKFUTHHR-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484917450 1079852128 /nfs/dbraw/zinc/85/21/28/1079852128.db2.gz GZMQAULMAUXJOX-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481453059 1079880565 /nfs/dbraw/zinc/88/05/65/1079880565.db2.gz QNGUVMFOYPOMKL-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001268124868 1080092340 /nfs/dbraw/zinc/09/23/40/1080092340.db2.gz ZCAMTWXKFVRKCU-FUHWJXTLSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001656831129 1080126885 /nfs/dbraw/zinc/12/68/85/1080126885.db2.gz WSDABPPFKMTQRY-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304547 1080141270 /nfs/dbraw/zinc/14/12/70/1080141270.db2.gz XOYMRNGIQQWPSS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485304547 1080141272 /nfs/dbraw/zinc/14/12/72/1080141272.db2.gz XOYMRNGIQQWPSS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485304547 1080141274 /nfs/dbraw/zinc/14/12/74/1080141274.db2.gz XOYMRNGIQQWPSS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485322609 1080149608 /nfs/dbraw/zinc/14/96/08/1080149608.db2.gz NGJINQBMELPASD-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001485322609 1080149611 /nfs/dbraw/zinc/14/96/11/1080149611.db2.gz NGJINQBMELPASD-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001485322609 1080149614 /nfs/dbraw/zinc/14/96/14/1080149614.db2.gz NGJINQBMELPASD-HNNXBMFYSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001657106665 1080157404 /nfs/dbraw/zinc/15/74/04/1080157404.db2.gz ZGWMARDJNZHXTO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001657106665 1080157413 /nfs/dbraw/zinc/15/74/13/1080157413.db2.gz ZGWMARDJNZHXTO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001657106665 1080157422 /nfs/dbraw/zinc/15/74/22/1080157422.db2.gz ZGWMARDJNZHXTO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001485539050 1080285909 /nfs/dbraw/zinc/28/59/09/1080285909.db2.gz GUIRLAXKPIJRHE-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581922 1080361184 /nfs/dbraw/zinc/36/11/84/1080361184.db2.gz ROSWGQWORKUTRO-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581922 1080361186 /nfs/dbraw/zinc/36/11/86/1080361186.db2.gz ROSWGQWORKUTRO-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268373710 1080385596 /nfs/dbraw/zinc/38/55/96/1080385596.db2.gz RKKYHOQRACPCKU-RDJZCZTQSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099551700 1080517896 /nfs/dbraw/zinc/51/78/96/1080517896.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099551700 1080517901 /nfs/dbraw/zinc/51/79/01/1080517901.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099551700 1080517908 /nfs/dbraw/zinc/51/79/08/1080517908.db2.gz BPOBKWUYRODDBM-XSLAGTTESA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458303 1080523236 /nfs/dbraw/zinc/52/32/36/1080523236.db2.gz KRLLFRZHZFWFAV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001661925792 1080545384 /nfs/dbraw/zinc/54/53/84/1080545384.db2.gz NOQZTPQTXVGUTO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001481907407 1080596219 /nfs/dbraw/zinc/59/62/19/1080596219.db2.gz NMSGPIQPXRINSB-UHFFFAOYSA-N 2 1 304.438 2.211 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001662839956 1080666677 /nfs/dbraw/zinc/66/66/77/1080666677.db2.gz ZGFWZIBABGROTR-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663548655 1080771756 /nfs/dbraw/zinc/77/17/56/1080771756.db2.gz UYESRBSPXGVNSO-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665169953 1080996978 /nfs/dbraw/zinc/99/69/78/1080996978.db2.gz PXDXBMPVFQMPAL-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001666547045 1081160258 /nfs/dbraw/zinc/16/02/58/1081160258.db2.gz NMFMHRCYICVMLU-DLBZAZTESA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001667196884 1081222690 /nfs/dbraw/zinc/22/26/90/1081222690.db2.gz FIMICBZPKCAAAJ-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001667695304 1081275424 /nfs/dbraw/zinc/27/54/24/1081275424.db2.gz VZNCGDHBYYKUNB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695304 1081275428 /nfs/dbraw/zinc/27/54/28/1081275428.db2.gz VZNCGDHBYYKUNB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695304 1081275431 /nfs/dbraw/zinc/27/54/31/1081275431.db2.gz VZNCGDHBYYKUNB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001667695303 1081275491 /nfs/dbraw/zinc/27/54/91/1081275491.db2.gz VZNCGDHBYYKUNB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695303 1081275494 /nfs/dbraw/zinc/27/54/94/1081275494.db2.gz VZNCGDHBYYKUNB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695303 1081275502 /nfs/dbraw/zinc/27/55/02/1081275502.db2.gz VZNCGDHBYYKUNB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001269558140 1081290477 /nfs/dbraw/zinc/29/04/77/1081290477.db2.gz WXDWYVVJLXDQKD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558140 1081290481 /nfs/dbraw/zinc/29/04/81/1081290481.db2.gz WXDWYVVJLXDQKD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558140 1081290489 /nfs/dbraw/zinc/29/04/89/1081290489.db2.gz WXDWYVVJLXDQKD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000950367706 1081318861 /nfs/dbraw/zinc/31/88/61/1081318861.db2.gz NOMZESSXCSHGNA-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001269972902 1081413632 /nfs/dbraw/zinc/41/36/32/1081413632.db2.gz PWRUZJHVRJDYFT-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001669973882 1081485582 /nfs/dbraw/zinc/48/55/82/1081485582.db2.gz OASCKVFVYAGGMK-IRXDYDNUSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC001672355990 1081587578 /nfs/dbraw/zinc/58/75/78/1081587578.db2.gz MTXLXGBSPRFDCD-TXTZMMAHSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496169 1081775689 /nfs/dbraw/zinc/77/56/89/1081775689.db2.gz HXHOKUJMRFQWGS-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463456 1081874629 /nfs/dbraw/zinc/87/46/29/1081874629.db2.gz MPQJUXXMIAMHPH-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017718 1081877623 /nfs/dbraw/zinc/87/76/23/1081877623.db2.gz VJWHQGUHEXZPEA-IBGZPJMESA-N 2 1 319.493 2.104 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506236 1081882918 /nfs/dbraw/zinc/88/29/18/1081882918.db2.gz WDRUFLYUHGITOR-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001482453944 1081898916 /nfs/dbraw/zinc/89/89/16/1081898916.db2.gz PJNQTJFEFZQWDR-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001271128418 1081926734 /nfs/dbraw/zinc/92/67/34/1081926734.db2.gz BRBOEQWVSTWHQB-OAHLLOKOSA-N 2 1 306.454 2.409 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271665158 1082104532 /nfs/dbraw/zinc/10/45/32/1082104532.db2.gz IQFFRMJBOUSVNS-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001271777090 1082151783 /nfs/dbraw/zinc/15/17/83/1082151783.db2.gz FEHQORFPFAVRCP-ULQDDVLXSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001266658880 1082254299 /nfs/dbraw/zinc/25/42/99/1082254299.db2.gz JMXXPQCEQKKMDO-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266724431 1082305760 /nfs/dbraw/zinc/30/57/60/1082305760.db2.gz OERNEGDTGHAWBX-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107457204 1083410548 /nfs/dbraw/zinc/41/05/48/1083410548.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457204 1083410550 /nfs/dbraw/zinc/41/05/50/1083410550.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457204 1083410554 /nfs/dbraw/zinc/41/05/54/1083410554.db2.gz JNAQMHYOMIVTHS-CRAIPNDOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543912 1083472013 /nfs/dbraw/zinc/47/20/13/1083472013.db2.gz CNSYTGODLAUSIX-YQVWRLOYSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)C(C)(C)C1 ZINC001276601434 1083510129 /nfs/dbraw/zinc/51/01/29/1083510129.db2.gz OBTANKGDLMHFSE-OAHLLOKOSA-N 2 1 304.438 2.066 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001272804584 1084085586 /nfs/dbraw/zinc/08/55/86/1084085586.db2.gz CXNQDFKUOONSRJ-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491222924 1084166493 /nfs/dbraw/zinc/16/64/93/1084166493.db2.gz SZWDLZVRUJBGGV-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281834 1084205669 /nfs/dbraw/zinc/20/56/69/1084205669.db2.gz LQKPKNNTKAFTEL-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321877 1084386941 /nfs/dbraw/zinc/38/69/41/1084386941.db2.gz UTWJVNDNMCTRQJ-JKSUJKDBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235334143 1084393725 /nfs/dbraw/zinc/39/37/25/1084393725.db2.gz HETXVTBJULRXQY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP N#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277945383 1084429796 /nfs/dbraw/zinc/42/97/96/1084429796.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001277945383 1084429799 /nfs/dbraw/zinc/42/97/99/1084429799.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277945383 1084429802 /nfs/dbraw/zinc/42/98/02/1084429802.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277945383 1084429804 /nfs/dbraw/zinc/42/98/04/1084429804.db2.gz YSTGZBWXLBYWAL-GOSISDBHSA-N 2 1 315.465 2.365 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001235631521 1084481522 /nfs/dbraw/zinc/48/15/22/1084481522.db2.gz AGROFNTXAXWEKS-DLBZAZTESA-N 2 1 316.449 2.026 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000964030676 1085154323 /nfs/dbraw/zinc/15/43/23/1085154323.db2.gz UWGSAMSRHKMUME-HGWOHTHGSA-N 2 1 317.477 2.206 20 30 DEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000960275850 1085177571 /nfs/dbraw/zinc/17/75/71/1085177571.db2.gz OWVSBUQZLVQZCB-FGTMMUONSA-N 2 1 313.445 2.029 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC000964394010 1085204683 /nfs/dbraw/zinc/20/46/83/1085204683.db2.gz ZYQZRMDOZOXIBQ-UHFFFAOYSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[N@@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001486377067 1085250171 /nfs/dbraw/zinc/25/01/71/1085250171.db2.gz YRWNISDYHLUHDI-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001486377067 1085250180 /nfs/dbraw/zinc/25/01/80/1085250180.db2.gz YRWNISDYHLUHDI-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443896 1085735486 /nfs/dbraw/zinc/73/54/86/1085735486.db2.gz XZZXYNABBAHYJB-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443896 1085735489 /nfs/dbraw/zinc/73/54/89/1085735489.db2.gz XZZXYNABBAHYJB-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443896 1085735500 /nfs/dbraw/zinc/73/55/00/1085735500.db2.gz XZZXYNABBAHYJB-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001671060223 1086364457 /nfs/dbraw/zinc/36/44/57/1086364457.db2.gz ZBDHIFFDAAIOGU-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000963902539 1086591479 /nfs/dbraw/zinc/59/14/79/1086591479.db2.gz LHZNYWAQSWFQSH-KLAILNCOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001080037028 1088590047 /nfs/dbraw/zinc/59/00/47/1088590047.db2.gz CVIYZGFWNVZGTO-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001080998849 1089272734 /nfs/dbraw/zinc/27/27/34/1089272734.db2.gz PVSOXTHUIMWKES-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998849 1089272747 /nfs/dbraw/zinc/27/27/47/1089272747.db2.gz PVSOXTHUIMWKES-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001080998849 1089272758 /nfs/dbraw/zinc/27/27/58/1089272758.db2.gz PVSOXTHUIMWKES-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953309 1090541974 /nfs/dbraw/zinc/54/19/74/1090541974.db2.gz BOTQFALCIXERGV-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953309 1090541984 /nfs/dbraw/zinc/54/19/84/1090541984.db2.gz BOTQFALCIXERGV-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033243 1090604586 /nfs/dbraw/zinc/60/45/86/1090604586.db2.gz XGOPXXRODROSHN-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001274398423 1091223661 /nfs/dbraw/zinc/22/36/61/1091223661.db2.gz NQAOGAWAEDCNDT-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCN(CC[NH+]1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OCC ZINC001274927399 1091476844 /nfs/dbraw/zinc/47/68/44/1091476844.db2.gz LZVWRCCYWPYQEX-UHFFFAOYSA-N 2 1 309.454 2.049 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001274949954 1091488337 /nfs/dbraw/zinc/48/83/37/1091488337.db2.gz FMMCDSXPCKXHCM-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274949954 1091488343 /nfs/dbraw/zinc/48/83/43/1091488343.db2.gz FMMCDSXPCKXHCM-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274949954 1091488345 /nfs/dbraw/zinc/48/83/45/1091488345.db2.gz FMMCDSXPCKXHCM-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001275233087 1091626703 /nfs/dbraw/zinc/62/67/03/1091626703.db2.gz NQPHCLFHSTUOSI-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001273475819 1091869041 /nfs/dbraw/zinc/86/90/41/1091869041.db2.gz UBDJWUTYSXOOPH-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001273554512 1091921028 /nfs/dbraw/zinc/92/10/28/1091921028.db2.gz WZOOOAIYEYZIHB-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924817 /nfs/dbraw/zinc/92/48/17/1091924817.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924828 /nfs/dbraw/zinc/92/48/28/1091924828.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767717 1091924836 /nfs/dbraw/zinc/92/48/36/1091924836.db2.gz ZRNIZCODWHIATH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275976058 1092420762 /nfs/dbraw/zinc/42/07/62/1092420762.db2.gz YEEWJDCFHARANZ-UHFFFAOYSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011055 1092505829 /nfs/dbraw/zinc/50/58/29/1092505829.db2.gz KZYHYBVHJFXQDG-SJORKVTESA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001488771987 1092742788 /nfs/dbraw/zinc/74/27/88/1092742788.db2.gz JNLSEEUTQJXTER-VVLHAWIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490586583 1093432243 /nfs/dbraw/zinc/43/22/43/1093432243.db2.gz HUNYVQRIUKCMLN-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC1CC[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236967682 1138468998 /nfs/dbraw/zinc/46/89/98/1138468998.db2.gz OZCWCFGIBQQLKJ-UHFFFAOYSA-N 2 1 315.436 2.423 20 30 DEEDMP CC[NH+]1C[C@H]2C[NH+](Cc3cn(C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001237472964 1138647335 /nfs/dbraw/zinc/64/73/35/1138647335.db2.gz XLYXTHDUYJVUQQ-HOTGVXAUSA-N 2 1 308.429 2.433 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296066294 1139701810 /nfs/dbraw/zinc/70/18/10/1139701810.db2.gz WVIXQDBPWJKCRJ-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281974663 1139834518 /nfs/dbraw/zinc/83/45/18/1139834518.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974663 1139834520 /nfs/dbraw/zinc/83/45/20/1139834520.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974663 1139834523 /nfs/dbraw/zinc/83/45/23/1139834523.db2.gz GKJPHYYOIJTEOG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319859848 1140770525 /nfs/dbraw/zinc/77/05/25/1140770525.db2.gz CBWGDGPRWLPOLC-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001319890675 1140800839 /nfs/dbraw/zinc/80/08/39/1140800839.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001319890675 1140800840 /nfs/dbraw/zinc/80/08/40/1140800840.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001319890675 1140800841 /nfs/dbraw/zinc/80/08/41/1140800841.db2.gz PLYQTIIXQVZVMI-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246024323 1140848847 /nfs/dbraw/zinc/84/88/47/1140848847.db2.gz UTAHIABLYQNQOX-DLBZAZTESA-N 2 1 300.487 2.274 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278461218 1141030264 /nfs/dbraw/zinc/03/02/64/1141030264.db2.gz VJTPDGCGUXHCIR-JZXOWHBKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323637671 1141872454 /nfs/dbraw/zinc/87/24/54/1141872454.db2.gz MGQPDAUNRWXKLY-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001323736392 1141882236 /nfs/dbraw/zinc/88/22/36/1141882236.db2.gz NMECOXPCTDIXFQ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001323736392 1141882237 /nfs/dbraw/zinc/88/22/37/1141882237.db2.gz NMECOXPCTDIXFQ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001323736392 1141882238 /nfs/dbraw/zinc/88/22/38/1141882238.db2.gz NMECOXPCTDIXFQ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001324072403 1142000917 /nfs/dbraw/zinc/00/09/17/1142000917.db2.gz INAHYMWAJUBDLI-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP CCCCCCCC[C@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252132852 1142652111 /nfs/dbraw/zinc/65/21/11/1142652111.db2.gz CWWLUBIVAYSHAA-KRWDZBQOSA-N 2 1 300.487 2.144 20 30 DEEDMP C=C[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001252581611 1142770576 /nfs/dbraw/zinc/77/05/76/1142770576.db2.gz IHTHKMRRTADZDR-IBGZPJMESA-N 2 1 318.461 2.229 20 30 DEEDMP C=CCCCCCC[C@H](O)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001253240702 1142856648 /nfs/dbraw/zinc/85/66/48/1142856648.db2.gz PJGFJWRVDFMODU-SFHVURJKSA-N 2 1 311.514 2.053 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254514327 1143176534 /nfs/dbraw/zinc/17/65/34/1143176534.db2.gz KIOBBQPQSRIYMJ-MRXNPFEDSA-N 2 1 309.454 2.095 20 30 DEEDMP C=C(C)C(=O)NCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256598424 1143856756 /nfs/dbraw/zinc/85/67/56/1143856756.db2.gz YZVORQAKVSIGIB-UHFFFAOYSA-N 2 1 315.461 2.323 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001278963394 1143866387 /nfs/dbraw/zinc/86/63/87/1143866387.db2.gz ALEFRILWNFSDBH-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001263870496 1144417546 /nfs/dbraw/zinc/41/75/46/1144417546.db2.gz ZTSWCPHESVXURS-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265020136 1144626776 /nfs/dbraw/zinc/62/67/76/1144626776.db2.gz YQXBKGDQNYUESS-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265020136 1144626780 /nfs/dbraw/zinc/62/67/80/1144626780.db2.gz YQXBKGDQNYUESS-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001265306045 1144689422 /nfs/dbraw/zinc/68/94/22/1144689422.db2.gz ISTGIHVYJHMEHE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523915 1144708919 /nfs/dbraw/zinc/70/89/19/1144708919.db2.gz QVRUGVJZAYKHGJ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265635229 1144720001 /nfs/dbraw/zinc/72/00/01/1144720001.db2.gz SFJSLQBYDCFECC-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001265670287 1144725315 /nfs/dbraw/zinc/72/53/15/1144725315.db2.gz MXQZGNSEDOFRRI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265978246 1144775598 /nfs/dbraw/zinc/77/55/98/1144775598.db2.gz GNNGHPFRWVWUSA-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265940097 1144764267 /nfs/dbraw/zinc/76/42/67/1144764267.db2.gz KHAWCOGRYVAQGH-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265978246 1144775594 /nfs/dbraw/zinc/77/55/94/1144775594.db2.gz GNNGHPFRWVWUSA-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001265978246 1144775584 /nfs/dbraw/zinc/77/55/84/1144775584.db2.gz GNNGHPFRWVWUSA-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001265978246 1144775589 /nfs/dbraw/zinc/77/55/89/1144775589.db2.gz GNNGHPFRWVWUSA-OKILXGFUSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982599 1144776433 /nfs/dbraw/zinc/77/64/33/1144776433.db2.gz IAHXRMHAILNFNI-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266041450 1144798506 /nfs/dbraw/zinc/79/85/06/1144798506.db2.gz VRJWKCCBHFBDSN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+](CC)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266112362 1144806659 /nfs/dbraw/zinc/80/66/59/1144806659.db2.gz MXJHMXMPOPUMFR-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266112362 1144806660 /nfs/dbraw/zinc/80/66/60/1144806660.db2.gz MXJHMXMPOPUMFR-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266169550 1144811328 /nfs/dbraw/zinc/81/13/28/1144811328.db2.gz CGPANIHRTBMADJ-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266215470 1144815345 /nfs/dbraw/zinc/81/53/45/1144815345.db2.gz KTCFPOPJGJPIQQ-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215470 1144815346 /nfs/dbraw/zinc/81/53/46/1144815346.db2.gz KTCFPOPJGJPIQQ-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001266215470 1144815347 /nfs/dbraw/zinc/81/53/47/1144815347.db2.gz KTCFPOPJGJPIQQ-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266219080 1144815532 /nfs/dbraw/zinc/81/55/32/1144815532.db2.gz VTWJBFVAYIWNLA-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001266219080 1144815534 /nfs/dbraw/zinc/81/55/34/1144815534.db2.gz VTWJBFVAYIWNLA-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001266219080 1144815535 /nfs/dbraw/zinc/81/55/35/1144815535.db2.gz VTWJBFVAYIWNLA-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567854 1144824692 /nfs/dbraw/zinc/82/46/92/1144824692.db2.gz ZVAOTSGXRMBQTC-SJORKVTESA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567854 1144824693 /nfs/dbraw/zinc/82/46/93/1144824693.db2.gz ZVAOTSGXRMBQTC-SJORKVTESA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567854 1144824694 /nfs/dbraw/zinc/82/46/94/1144824694.db2.gz ZVAOTSGXRMBQTC-SJORKVTESA-N 2 1 316.449 2.374 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001280889900 1144861577 /nfs/dbraw/zinc/86/15/77/1144861577.db2.gz RWFGWCPCJFCRJD-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281565899 1144897786 /nfs/dbraw/zinc/89/77/86/1144897786.db2.gz AMOQFOCHBWMIMA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282667259 1145119682 /nfs/dbraw/zinc/11/96/82/1145119682.db2.gz PHOOMLPDRXMQJM-JKSUJKDBSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC001282992733 1145227855 /nfs/dbraw/zinc/22/78/55/1145227855.db2.gz MXZXOGIDKGKPQY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001282992733 1145227861 /nfs/dbraw/zinc/22/78/61/1145227861.db2.gz MXZXOGIDKGKPQY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC001282992733 1145227869 /nfs/dbraw/zinc/22/78/69/1145227869.db2.gz MXZXOGIDKGKPQY-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001316626067 1145369228 /nfs/dbraw/zinc/36/92/28/1145369228.db2.gz ZAVLNLDQWSCVPL-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001283702966 1145602396 /nfs/dbraw/zinc/60/23/96/1145602396.db2.gz PIMRHHSFLSJMEV-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001293 1145744649 /nfs/dbraw/zinc/74/46/49/1145744649.db2.gz PVGVKKZSQGVFCM-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001284846344 1145936910 /nfs/dbraw/zinc/93/69/10/1145936910.db2.gz OMROPDQFBFSXPD-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001491829149 1146905839 /nfs/dbraw/zinc/90/58/39/1146905839.db2.gz GCCANKWMAGOMHT-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491884221 1146952789 /nfs/dbraw/zinc/95/27/89/1146952789.db2.gz QOBTWPIVVIOXNK-CVEARBPZSA-N 2 1 304.438 2.175 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC#Cc1ccccc1)CC[NH+](C)C ZINC001308742484 1147485152 /nfs/dbraw/zinc/48/51/52/1147485152.db2.gz GVDQKJCWDKSCRT-FQEVSTJZSA-N 2 1 313.489 2.386 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCC)CC1 ZINC001317513195 1147542467 /nfs/dbraw/zinc/54/24/67/1147542467.db2.gz ILNYGVDLYZNVAZ-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741976 1147553022 /nfs/dbraw/zinc/55/30/22/1147553022.db2.gz CVEXVDSFLFQBFH-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001314492432 1147575468 /nfs/dbraw/zinc/57/54/68/1147575468.db2.gz RTVWRCCFQKITMT-MSOLQXFVSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001317007643 1147647475 /nfs/dbraw/zinc/64/74/75/1147647475.db2.gz WZTSDHGLEBATLO-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317382704 1147699878 /nfs/dbraw/zinc/69/98/78/1147699878.db2.gz UJHPNIIVJABWAD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317382704 1147699880 /nfs/dbraw/zinc/69/98/80/1147699880.db2.gz UJHPNIIVJABWAD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317382704 1147699882 /nfs/dbraw/zinc/69/98/82/1147699882.db2.gz UJHPNIIVJABWAD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757769 1147840734 /nfs/dbraw/zinc/84/07/34/1147840734.db2.gz NSQJPGFYSPZBQC-QAPCUYQASA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757767 1147840924 /nfs/dbraw/zinc/84/09/24/1147840924.db2.gz NSQJPGFYSPZBQC-CRAIPNDOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001325643942 1147974108 /nfs/dbraw/zinc/97/41/08/1147974108.db2.gz SBRIKVXIELWXHF-BJWYYQGGSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326271758 1148066882 /nfs/dbraw/zinc/06/68/82/1148066882.db2.gz CDKQCJGXQJRWCG-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001326522158 1148128053 /nfs/dbraw/zinc/12/80/53/1148128053.db2.gz UUXVPLFKTPJDRM-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001368101043 1148221818 /nfs/dbraw/zinc/22/18/18/1148221818.db2.gz DVXFVDOUPODUPZ-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001421870246 1172070280 /nfs/dbraw/zinc/07/02/80/1172070280.db2.gz WAJBRYPRSOBNQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001421870246 1172070291 /nfs/dbraw/zinc/07/02/91/1172070291.db2.gz WAJBRYPRSOBNQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001421870246 1172070298 /nfs/dbraw/zinc/07/02/98/1172070298.db2.gz WAJBRYPRSOBNQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001421870246 1172070308 /nfs/dbraw/zinc/07/03/08/1172070308.db2.gz WAJBRYPRSOBNQW-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662083683 540327034 /nfs/dbraw/zinc/32/70/34/540327034.db2.gz IRZHYUUXMMSENK-CALCHBBNSA-N 2 1 305.466 2.158 20 30 DEEDMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592313 359253856 /nfs/dbraw/zinc/25/38/56/359253856.db2.gz JHYXMVXCPHTTCA-JKSUJKDBSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592313 359253859 /nfs/dbraw/zinc/25/38/59/359253859.db2.gz JHYXMVXCPHTTCA-JKSUJKDBSA-N 2 1 316.449 2.425 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076884 /nfs/dbraw/zinc/07/68/84/243076884.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076896 /nfs/dbraw/zinc/07/68/96/243076896.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076906 /nfs/dbraw/zinc/07/69/06/243076906.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076914 /nfs/dbraw/zinc/07/69/14/243076914.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451532268 243076927 /nfs/dbraw/zinc/07/69/27/243076927.db2.gz KQUGHIOFXCHFEM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143873 296313555 /nfs/dbraw/zinc/31/35/55/296313555.db2.gz GSQCUWJCJNYSAU-BRWVUGGUSA-N 2 1 320.481 2.121 20 30 DEEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304811486 285340076 /nfs/dbraw/zinc/34/00/76/285340076.db2.gz XGBUKWKKURDHEK-GUTXKFCHSA-N 2 1 324.494 2.070 20 30 DEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000269637703 533364182 /nfs/dbraw/zinc/36/41/82/533364182.db2.gz QOYJIWZANAOVFQ-VIFPVBQESA-N 2 1 304.316 2.262 20 30 DEEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399122 133228006 /nfs/dbraw/zinc/22/80/06/133228006.db2.gz ZKRCNCWEMVIFBK-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399122 133228007 /nfs/dbraw/zinc/22/80/07/133228007.db2.gz ZKRCNCWEMVIFBK-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399122 133228008 /nfs/dbraw/zinc/22/80/08/133228008.db2.gz ZKRCNCWEMVIFBK-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000362399122 133228009 /nfs/dbraw/zinc/22/80/09/133228009.db2.gz ZKRCNCWEMVIFBK-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP COC(=O)c1cccc(CN2CC[C@H](c3nccn3C)C2)c1C#N ZINC000566017262 292197837 /nfs/dbraw/zinc/19/78/37/292197837.db2.gz GEVYVKZPVMPQAI-AWEZNQCLSA-N 2 1 324.384 2.068 20 30 DEEDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271937690 402885757 /nfs/dbraw/zinc/88/57/57/402885757.db2.gz KNKLIHYKAOWQMM-HNNXBMFYSA-N 2 1 318.440 2.376 20 30 DEEDMP COc1ccccc1[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000273324769 402994463 /nfs/dbraw/zinc/99/44/63/402994463.db2.gz HGNQPCUKDPACMG-INIZCTEOSA-N 2 1 316.449 2.241 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(CC#N)cc1 ZINC000342724055 403323019 /nfs/dbraw/zinc/32/30/19/403323019.db2.gz DFFUGWGLOJTWMF-QRVBRYPASA-N 2 1 313.445 2.436 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115393 403763864 /nfs/dbraw/zinc/76/38/64/403763864.db2.gz XVRJSFYLCXJWFC-OAHLLOKOSA-N 2 1 315.417 2.249 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115393 403763867 /nfs/dbraw/zinc/76/38/67/403763867.db2.gz XVRJSFYLCXJWFC-OAHLLOKOSA-N 2 1 315.417 2.249 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001422878638 1172894174 /nfs/dbraw/zinc/89/41/74/1172894174.db2.gz XRTAAXFZVRHVPQ-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001422878638 1172894176 /nfs/dbraw/zinc/89/41/76/1172894176.db2.gz XRTAAXFZVRHVPQ-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001422878638 1172894177 /nfs/dbraw/zinc/89/41/77/1172894177.db2.gz XRTAAXFZVRHVPQ-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000344478718 404167950 /nfs/dbraw/zinc/16/79/50/404167950.db2.gz JSRKNQUUXYBKSX-ZDUSSCGKSA-N 2 1 305.447 2.210 20 30 DEEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000350628507 404426200 /nfs/dbraw/zinc/42/62/00/404426200.db2.gz WUXWXNIRVWHUSA-UHFFFAOYSA-N 2 1 320.400 2.254 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000375888367 404766261 /nfs/dbraw/zinc/76/62/61/404766261.db2.gz GNZLDPIWTUHWRW-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414690586 404709595 /nfs/dbraw/zinc/70/95/95/404709595.db2.gz HTYBDFTZQDRQLN-QGZVFWFLSA-N 2 1 307.482 2.252 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000358797779 404776238 /nfs/dbraw/zinc/77/62/38/404776238.db2.gz XTXQLUZFVYDXRN-HZPDHXFCSA-N 2 1 322.497 2.199 20 30 DEEDMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424132784 405016672 /nfs/dbraw/zinc/01/66/72/405016672.db2.gz IQSLZAPPRNLTMG-GJZGRUSLSA-N 2 1 322.840 2.080 20 30 DEEDMP C[C@H](CCNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424155992 405025045 /nfs/dbraw/zinc/02/50/45/405025045.db2.gz OMLRALODKHCEAC-WBVHZDCISA-N 2 1 316.449 2.034 20 30 DEEDMP C=CC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000458989000 405679734 /nfs/dbraw/zinc/67/97/34/405679734.db2.gz OTJVMBQIJGIKSD-MRXNPFEDSA-N 2 1 324.513 2.256 20 30 DEEDMP C=C(CC)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459085704 405737246 /nfs/dbraw/zinc/73/72/46/405737246.db2.gz VROFSGPBNSWSQV-INIZCTEOSA-N 2 1 310.486 2.010 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000491120717 406530377 /nfs/dbraw/zinc/53/03/77/406530377.db2.gz MYNGTBNUEFSPFG-LJQANCHMSA-N 2 1 313.445 2.025 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000491120717 406530382 /nfs/dbraw/zinc/53/03/82/406530382.db2.gz MYNGTBNUEFSPFG-LJQANCHMSA-N 2 1 313.445 2.025 20 30 DEEDMP C#C[C@H](CCC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491694250 406671718 /nfs/dbraw/zinc/67/17/18/406671718.db2.gz ANXACCDTZNTFFZ-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768826 406709413 /nfs/dbraw/zinc/70/94/13/406709413.db2.gz JNEJCQBVOPLXCY-MRXNPFEDSA-N 2 1 313.445 2.419 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000491768826 406709420 /nfs/dbraw/zinc/70/94/20/406709420.db2.gz JNEJCQBVOPLXCY-MRXNPFEDSA-N 2 1 313.445 2.419 20 30 DEEDMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245698596 225222296 /nfs/dbraw/zinc/22/22/96/225222296.db2.gz MYSJQDHVHILSFD-SMDDNHRTSA-N 2 1 312.820 2.348 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCCCCC2)cn1 ZINC000262512615 225276085 /nfs/dbraw/zinc/27/60/85/225276085.db2.gz MIWDXYSQVXKOHF-UHFFFAOYSA-N 2 1 312.421 2.266 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897656 782028173 /nfs/dbraw/zinc/02/81/73/782028173.db2.gz RRUPPSZPBAORIB-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[C@@]1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000662692054 425714475 /nfs/dbraw/zinc/71/44/75/425714475.db2.gz VJAAEELRHFDULU-SFHVURJKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695975 425715700 /nfs/dbraw/zinc/71/57/00/425715700.db2.gz RSJINNMWRNHOKJ-UIBIWLFHSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[C@]1(C(=O)NCCCNc2ccc(C)c[nH+]2)CCC[NH2+]1 ZINC000662736784 425724801 /nfs/dbraw/zinc/72/48/01/425724801.db2.gz ULRKNJHLGQMYBH-QGZVFWFLSA-N 2 1 302.422 2.007 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001329763909 1148990379 /nfs/dbraw/zinc/99/03/79/1148990379.db2.gz AVEGSICKQSUQPH-INIZCTEOSA-N 2 1 306.454 2.230 20 30 DEEDMP C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001397254811 1160086287 /nfs/dbraw/zinc/08/62/87/1160086287.db2.gz ASTHQNNNFUPEHU-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262361838 526394571 /nfs/dbraw/zinc/39/45/71/526394571.db2.gz GYRWMJGNIYVQBQ-JFIYKMOQSA-N 2 1 312.461 2.019 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262361838 526394576 /nfs/dbraw/zinc/39/45/76/526394576.db2.gz GYRWMJGNIYVQBQ-JFIYKMOQSA-N 2 1 312.461 2.019 20 30 DEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423099584 526889170 /nfs/dbraw/zinc/88/91/70/526889170.db2.gz FOOIKSWIJCKROE-OTWHNJEPSA-N 2 1 316.445 2.498 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCCCC2)O1 ZINC000262357570 529100243 /nfs/dbraw/zinc/10/02/43/529100243.db2.gz JPIINMWTCYUMGQ-JKSUJKDBSA-N 2 1 322.497 2.257 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293133 529101570 /nfs/dbraw/zinc/10/15/70/529101570.db2.gz DGKPJTKECZSSQZ-INIZCTEOSA-N 2 1 311.433 2.123 20 30 DEEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000320413687 535457524 /nfs/dbraw/zinc/45/75/24/535457524.db2.gz QZOQOFGWKJSSOV-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000320413687 535457529 /nfs/dbraw/zinc/45/75/29/535457529.db2.gz QZOQOFGWKJSSOV-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000349038475 535594035 /nfs/dbraw/zinc/59/40/35/535594035.db2.gz SFKGZIZCGYKBBB-IBGZPJMESA-N 2 1 314.477 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489863 625293552 /nfs/dbraw/zinc/29/35/52/625293552.db2.gz MKEWLGHYVZIJSF-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663561 625321789 /nfs/dbraw/zinc/32/17/89/625321789.db2.gz XCSAGLHYNAQPKE-ZFWWWQNUSA-N 2 1 305.422 2.110 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025290076 625326362 /nfs/dbraw/zinc/32/63/62/625326362.db2.gz XPXXVBUZPYDOCT-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001023585514 625333820 /nfs/dbraw/zinc/33/38/20/625333820.db2.gz GBBDNISAFRPJOQ-LSDHHAIUSA-N 2 1 316.449 2.234 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001023585514 625333823 /nfs/dbraw/zinc/33/38/23/625333823.db2.gz GBBDNISAFRPJOQ-LSDHHAIUSA-N 2 1 316.449 2.234 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633503 625362980 /nfs/dbraw/zinc/36/29/80/625362980.db2.gz ZGUYFFNOOHWBTK-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007620462 625416036 /nfs/dbraw/zinc/41/60/36/625416036.db2.gz QOYYXNCVYAVVAR-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836361 622941430 /nfs/dbraw/zinc/94/14/30/622941430.db2.gz LYYWDZUFYJWSJM-YJBOKZPZSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000970926624 623796238 /nfs/dbraw/zinc/79/62/38/623796238.db2.gz ADKCYIQFQDYVFA-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001008549785 625718606 /nfs/dbraw/zinc/71/86/06/625718606.db2.gz GMTXSTZGTHMZHB-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001008549785 625718608 /nfs/dbraw/zinc/71/86/08/625718608.db2.gz GMTXSTZGTHMZHB-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001008549785 625718611 /nfs/dbraw/zinc/71/86/11/625718611.db2.gz GMTXSTZGTHMZHB-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3CO)CC2)cc1 ZINC000891620463 624497897 /nfs/dbraw/zinc/49/78/97/624497897.db2.gz ALPWLMMIYZHCEE-UHFFFAOYSA-N 2 1 322.412 2.158 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024741315 625026023 /nfs/dbraw/zinc/02/60/23/625026023.db2.gz ZZXNDLNPMZXVSF-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761458 625042757 /nfs/dbraw/zinc/04/27/57/625042757.db2.gz GUMXEQNKKJEKFI-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957201 625117249 /nfs/dbraw/zinc/11/72/49/625117249.db2.gz MOJUZNTZDSJEHC-BBWFWOEESA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139777 625151640 /nfs/dbraw/zinc/15/16/40/625151640.db2.gz SCLAPGMCFISDJK-DZVNLGKHSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551098 625230437 /nfs/dbraw/zinc/23/04/37/625230437.db2.gz GFQLCCRKIPMCGK-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396817 625252696 /nfs/dbraw/zinc/25/26/96/625252696.db2.gz WLJWYAFOMFQSCV-AWEZNQCLSA-N 2 1 321.490 2.438 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479814 625809500 /nfs/dbraw/zinc/80/95/00/625809500.db2.gz QFISHKVRTBDIMG-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479814 625809502 /nfs/dbraw/zinc/80/95/02/625809502.db2.gz QFISHKVRTBDIMG-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001000020106 634729565 /nfs/dbraw/zinc/72/95/65/634729565.db2.gz KGELWFZQZIUQRR-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995791508 633122929 /nfs/dbraw/zinc/12/29/29/633122929.db2.gz HXKQNYHWPRFBRR-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1(C)C ZINC000995842234 633126298 /nfs/dbraw/zinc/12/62/98/633126298.db2.gz TZUBZLKLUJGAQO-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995919505 633139604 /nfs/dbraw/zinc/13/96/04/633139604.db2.gz RMLARZWKCVKETQ-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231868 /nfs/dbraw/zinc/23/18/68/633231868.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231871 /nfs/dbraw/zinc/23/18/71/633231871.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679106 633231873 /nfs/dbraw/zinc/23/18/73/633231873.db2.gz GMGZTNQAZILJIH-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996669530 633343610 /nfs/dbraw/zinc/34/36/10/633343610.db2.gz GVZZLMQXDYRTBR-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360592 633713367 /nfs/dbraw/zinc/71/33/67/633713367.db2.gz PCIBZKDEDXKCPY-OKILXGFUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362833 633715645 /nfs/dbraw/zinc/71/56/45/633715645.db2.gz CQCMHBPZFIJCHY-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027416890 633757372 /nfs/dbraw/zinc/75/73/72/633757372.db2.gz OIBYROGEMKSWJZ-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027416890 633757375 /nfs/dbraw/zinc/75/73/75/633757375.db2.gz OIBYROGEMKSWJZ-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027416890 633757380 /nfs/dbraw/zinc/75/73/80/633757380.db2.gz OIBYROGEMKSWJZ-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027416890 633757383 /nfs/dbraw/zinc/75/73/83/633757383.db2.gz OIBYROGEMKSWJZ-QLFBSQMISA-N 2 1 313.873 2.002 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997586761 633886731 /nfs/dbraw/zinc/88/67/31/633886731.db2.gz JGYVQMWWHWQCJM-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018593 634114902 /nfs/dbraw/zinc/11/49/02/634114902.db2.gz VUJAZCLTFMSLDC-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101098 634141773 /nfs/dbraw/zinc/14/17/73/634141773.db2.gz GDLVKVYZUAPNNR-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998187184 634163496 /nfs/dbraw/zinc/16/34/96/634163496.db2.gz DSCIQBBMSIRNRK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998187184 634163501 /nfs/dbraw/zinc/16/35/01/634163501.db2.gz DSCIQBBMSIRNRK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998187184 634163503 /nfs/dbraw/zinc/16/35/03/634163503.db2.gz DSCIQBBMSIRNRK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001001007962 635377223 /nfs/dbraw/zinc/37/72/23/635377223.db2.gz UYJULASZJJCSLL-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070025 635396474 /nfs/dbraw/zinc/39/64/74/635396474.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070025 635396477 /nfs/dbraw/zinc/39/64/77/635396477.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070025 635396479 /nfs/dbraw/zinc/39/64/79/635396479.db2.gz OIGVHDFOWYOXAR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372268 635480445 /nfs/dbraw/zinc/48/04/45/635480445.db2.gz SFVHENNCHVLNOS-ROUUACIJSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138472 635686598 /nfs/dbraw/zinc/68/65/98/635686598.db2.gz XERXKGGYDCASOL-GOSISDBHSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC000981864955 635699078 /nfs/dbraw/zinc/69/90/78/635699078.db2.gz IUQANWOSKIUVOS-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002809510 635802123 /nfs/dbraw/zinc/80/21/23/635802123.db2.gz HFQLATMOUWSWQS-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002993895 635876968 /nfs/dbraw/zinc/87/69/68/635876968.db2.gz AYKTWKOXRLOYCY-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003142991 635915304 /nfs/dbraw/zinc/91/53/04/635915304.db2.gz FVMHNXHHEUDDFF-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263215 /nfs/dbraw/zinc/26/32/15/636263215.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263226 /nfs/dbraw/zinc/26/32/26/636263226.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554079 636263228 /nfs/dbraw/zinc/26/32/28/636263228.db2.gz UMMLQMCJDVEKTG-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537250 636328949 /nfs/dbraw/zinc/32/89/49/636328949.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537250 636328952 /nfs/dbraw/zinc/32/89/52/636328952.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537250 636328954 /nfs/dbraw/zinc/32/89/54/636328954.db2.gz KOXMBPNIQGPCOC-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594841 636470234 /nfs/dbraw/zinc/47/02/34/636470234.db2.gz NGEGEUXHGXQAHI-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594841 636470239 /nfs/dbraw/zinc/47/02/39/636470239.db2.gz NGEGEUXHGXQAHI-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594841 636470241 /nfs/dbraw/zinc/47/02/41/636470241.db2.gz NGEGEUXHGXQAHI-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001005474364 636748615 /nfs/dbraw/zinc/74/86/15/636748615.db2.gz BYOFGBZPXAOHNQ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005493899 636751255 /nfs/dbraw/zinc/75/12/55/636751255.db2.gz SYYPRRHJUHUUOF-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005640906 636803364 /nfs/dbraw/zinc/80/33/64/636803364.db2.gz UGGARLOVYSQCBM-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894455728 637049709 /nfs/dbraw/zinc/04/97/09/637049709.db2.gz IRTZZKGVMVEZSU-INIZCTEOSA-N 2 1 320.506 2.468 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358471 637132914 /nfs/dbraw/zinc/13/29/14/637132914.db2.gz HMELWKOEDXBJNZ-CEXWTWQISA-N 2 1 313.445 2.303 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801570 639643324 /nfs/dbraw/zinc/64/33/24/639643324.db2.gz HAVCTOJTRXDYGY-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801570 639643328 /nfs/dbraw/zinc/64/33/28/639643328.db2.gz HAVCTOJTRXDYGY-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000985801570 639643334 /nfs/dbraw/zinc/64/33/34/639643334.db2.gz HAVCTOJTRXDYGY-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000985805283 639645200 /nfs/dbraw/zinc/64/52/00/639645200.db2.gz WAIIHRUCEHEWSA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240210 640521673 /nfs/dbraw/zinc/52/16/73/640521673.db2.gz DMBUFSWTGLAQGX-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240210 640521677 /nfs/dbraw/zinc/52/16/77/640521677.db2.gz DMBUFSWTGLAQGX-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240210 640521678 /nfs/dbraw/zinc/52/16/78/640521678.db2.gz DMBUFSWTGLAQGX-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000763240210 640521683 /nfs/dbraw/zinc/52/16/83/640521683.db2.gz DMBUFSWTGLAQGX-JCGIZDLHSA-N 2 1 301.434 2.396 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000989498001 641127175 /nfs/dbraw/zinc/12/71/75/641127175.db2.gz VABAHQNKMCKNEO-UHFFFAOYSA-N 2 1 316.449 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989498001 641127178 /nfs/dbraw/zinc/12/71/78/641127178.db2.gz VABAHQNKMCKNEO-UHFFFAOYSA-N 2 1 316.449 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989498001 641127180 /nfs/dbraw/zinc/12/71/80/641127180.db2.gz VABAHQNKMCKNEO-UHFFFAOYSA-N 2 1 316.449 2.262 20 30 DEEDMP C[C@H]1CNC(NN=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)=[NH+]1 ZINC000779787490 642537336 /nfs/dbraw/zinc/53/73/36/642537336.db2.gz UWGKXOKQRQYHED-RRQGHBQHSA-N 2 1 311.433 2.107 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722523 643438924 /nfs/dbraw/zinc/43/89/24/643438924.db2.gz MAFQYMPBIMMYMY-RBUKOAKNSA-N 2 1 316.445 2.452 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905095114 643799013 /nfs/dbraw/zinc/79/90/13/643799013.db2.gz IGQDWBMRLCCYAC-QGZVFWFLSA-N 2 1 310.482 2.063 20 30 DEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991501128 646432108 /nfs/dbraw/zinc/43/21/08/646432108.db2.gz GYZKNJCGKJUFFR-IEBWSBKVSA-N 2 1 322.412 2.003 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905950 646674681 /nfs/dbraw/zinc/67/46/81/646674681.db2.gz PZVNMNGEHPXLJX-JTQLQIEISA-N 2 1 300.859 2.290 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175105 646885567 /nfs/dbraw/zinc/88/55/67/646885567.db2.gz TUGWZURDTPRTEB-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992175105 646885572 /nfs/dbraw/zinc/88/55/72/646885572.db2.gz TUGWZURDTPRTEB-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992192657 646896412 /nfs/dbraw/zinc/89/64/12/646896412.db2.gz TYKGATZMPZCKFA-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992192657 646896416 /nfs/dbraw/zinc/89/64/16/646896416.db2.gz TYKGATZMPZCKFA-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992192657 646896419 /nfs/dbraw/zinc/89/64/19/646896419.db2.gz TYKGATZMPZCKFA-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992403082 646971987 /nfs/dbraw/zinc/97/19/87/646971987.db2.gz ADUAJUNDZBXECL-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992403082 646971988 /nfs/dbraw/zinc/97/19/88/646971988.db2.gz ADUAJUNDZBXECL-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992403082 646971992 /nfs/dbraw/zinc/97/19/92/646971992.db2.gz ADUAJUNDZBXECL-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805985 647747063 /nfs/dbraw/zinc/74/70/63/647747063.db2.gz NXQMILFXXUDXDL-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805985 647747065 /nfs/dbraw/zinc/74/70/65/647747065.db2.gz NXQMILFXXUDXDL-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805985 647747066 /nfs/dbraw/zinc/74/70/66/647747066.db2.gz NXQMILFXXUDXDL-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993928476 647763132 /nfs/dbraw/zinc/76/31/32/647763132.db2.gz NNEZIMISYIAUHL-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624475 648907878 /nfs/dbraw/zinc/90/78/78/648907878.db2.gz HYSRXANWKCBPTO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624475 648907883 /nfs/dbraw/zinc/90/78/83/648907883.db2.gz HYSRXANWKCBPTO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624475 648907888 /nfs/dbraw/zinc/90/78/88/648907888.db2.gz HYSRXANWKCBPTO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940790035 648941683 /nfs/dbraw/zinc/94/16/83/648941683.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790035 648941685 /nfs/dbraw/zinc/94/16/85/648941685.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790035 648941686 /nfs/dbraw/zinc/94/16/86/648941686.db2.gz SFIYNBKMIYGYNP-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994782 648980586 /nfs/dbraw/zinc/98/05/86/648980586.db2.gz YXAWNNLCLZXSJP-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435987 649207562 /nfs/dbraw/zinc/20/75/62/649207562.db2.gz QREILWNQWLNECG-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435987 649207564 /nfs/dbraw/zinc/20/75/64/649207564.db2.gz QREILWNQWLNECG-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435987 649207565 /nfs/dbraw/zinc/20/75/65/649207565.db2.gz QREILWNQWLNECG-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943879300 649447690 /nfs/dbraw/zinc/44/76/90/649447690.db2.gz VCLMINQLXCBXEI-WBVHZDCISA-N 2 1 307.482 2.119 20 30 DEEDMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844372441 651119517 /nfs/dbraw/zinc/11/95/17/651119517.db2.gz YZNUGWYBEGLPML-SFHVURJKSA-N 2 1 301.434 2.399 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844372441 651119518 /nfs/dbraw/zinc/11/95/18/651119518.db2.gz YZNUGWYBEGLPML-SFHVURJKSA-N 2 1 301.434 2.399 20 30 DEEDMP C#CCOCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000851889474 652270748 /nfs/dbraw/zinc/27/07/48/652270748.db2.gz KCDBKWBYBRASAK-UHFFFAOYSA-N 2 1 301.434 2.270 20 30 DEEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NC(C)C)CC2)cs1 ZINC000304740082 685258866 /nfs/dbraw/zinc/25/88/66/685258866.db2.gz BMNMLKLUNSHNEC-UHFFFAOYSA-N 2 1 323.510 2.230 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000304763019 685260821 /nfs/dbraw/zinc/26/08/21/685260821.db2.gz WJCRIYLDXZKZRX-ARFHVFGLSA-N 2 1 324.513 2.216 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763024 685260996 /nfs/dbraw/zinc/26/09/96/685260996.db2.gz WJCRIYLDXZKZRX-XHSDSOJGSA-N 2 1 324.513 2.216 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304781497 685261139 /nfs/dbraw/zinc/26/11/39/685261139.db2.gz GITKTWUBPKABPB-RDJZCZTQSA-N 2 1 302.466 2.487 20 30 DEEDMP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCCC1)Cc1ccccc1 ZINC000305043152 685266571 /nfs/dbraw/zinc/26/65/71/685266571.db2.gz DLKWGOMFPFHYNL-KRWDZBQOSA-N 2 1 302.466 2.350 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145397 693862518 /nfs/dbraw/zinc/86/25/18/693862518.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145397 693862520 /nfs/dbraw/zinc/86/25/20/693862520.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145397 693862522 /nfs/dbraw/zinc/86/25/22/693862522.db2.gz OSTYHSYACXUEJS-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239676 693896457 /nfs/dbraw/zinc/89/64/57/693896457.db2.gz JXUXXPVOESCSDU-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303893644 685238415 /nfs/dbraw/zinc/23/84/15/685238415.db2.gz SARWZGGIVXSJDJ-CQSZACIVSA-N 2 1 300.406 2.321 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016686957 687682133 /nfs/dbraw/zinc/68/21/33/687682133.db2.gz FJSHSBUHYPSAFG-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016794876 687704347 /nfs/dbraw/zinc/70/43/47/687704347.db2.gz ZSTYLEFDGYKUPP-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016824767 687710894 /nfs/dbraw/zinc/71/08/94/687710894.db2.gz DXEDTZNMODBUND-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017658556 687934194 /nfs/dbraw/zinc/93/41/94/687934194.db2.gz HHJFKSPEQFAAPH-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017658556 687934196 /nfs/dbraw/zinc/93/41/96/687934196.db2.gz HHJFKSPEQFAAPH-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017658556 687934198 /nfs/dbraw/zinc/93/41/98/687934198.db2.gz HHJFKSPEQFAAPH-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017658556 687934201 /nfs/dbraw/zinc/93/42/01/687934201.db2.gz HHJFKSPEQFAAPH-FJIDUMEYSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176363 688071588 /nfs/dbraw/zinc/07/15/88/688071588.db2.gz HVYJAHMYICZMRI-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404455 689142016 /nfs/dbraw/zinc/14/20/16/689142016.db2.gz IVADXZLXYBZALC-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404455 689142017 /nfs/dbraw/zinc/14/20/17/689142017.db2.gz IVADXZLXYBZALC-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032446329 689153248 /nfs/dbraw/zinc/15/32/48/689153248.db2.gz ZEWIDWRITYTVHJ-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032446329 689153251 /nfs/dbraw/zinc/15/32/51/689153251.db2.gz ZEWIDWRITYTVHJ-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032446329 689153254 /nfs/dbraw/zinc/15/32/54/689153254.db2.gz ZEWIDWRITYTVHJ-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032446329 689153257 /nfs/dbraw/zinc/15/32/57/689153257.db2.gz ZEWIDWRITYTVHJ-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445971 689153595 /nfs/dbraw/zinc/15/35/95/689153595.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445971 689153598 /nfs/dbraw/zinc/15/35/98/689153598.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445971 689153600 /nfs/dbraw/zinc/15/36/00/689153600.db2.gz SWQTUWPGEVHVEO-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472535 689159572 /nfs/dbraw/zinc/15/95/72/689159572.db2.gz XCOUNWXWDPYZOP-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033099294 689387147 /nfs/dbraw/zinc/38/71/47/689387147.db2.gz OXKBQHXVTNIUCN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033099294 689387148 /nfs/dbraw/zinc/38/71/48/689387148.db2.gz OXKBQHXVTNIUCN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033099294 689387154 /nfs/dbraw/zinc/38/71/54/689387154.db2.gz OXKBQHXVTNIUCN-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033125430 689398261 /nfs/dbraw/zinc/39/82/61/689398261.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125430 689398264 /nfs/dbraw/zinc/39/82/64/689398264.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125430 689398268 /nfs/dbraw/zinc/39/82/68/689398268.db2.gz DSBPMUADQVQTRN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143971 689403148 /nfs/dbraw/zinc/40/31/48/689403148.db2.gz OWFYUEAVGVXQIJ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143971 689403151 /nfs/dbraw/zinc/40/31/51/689403151.db2.gz OWFYUEAVGVXQIJ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143971 689403154 /nfs/dbraw/zinc/40/31/54/689403154.db2.gz OWFYUEAVGVXQIJ-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033182829 689415179 /nfs/dbraw/zinc/41/51/79/689415179.db2.gz RSPKTFFMKOZXAF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585849 689552821 /nfs/dbraw/zinc/55/28/21/689552821.db2.gz ODKMLKAQMJSKDB-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585849 689552824 /nfs/dbraw/zinc/55/28/24/689552824.db2.gz ODKMLKAQMJSKDB-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250497 689781218 /nfs/dbraw/zinc/78/12/18/689781218.db2.gz RBRZNELTYIFMBP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250497 689781220 /nfs/dbraw/zinc/78/12/20/689781220.db2.gz RBRZNELTYIFMBP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250497 689781223 /nfs/dbraw/zinc/78/12/23/689781223.db2.gz RBRZNELTYIFMBP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290308 689797038 /nfs/dbraw/zinc/79/70/38/689797038.db2.gz IBGPNXNZCSKAAM-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367188 689825051 /nfs/dbraw/zinc/82/50/51/689825051.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034367188 689825054 /nfs/dbraw/zinc/82/50/54/689825054.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034367188 689825057 /nfs/dbraw/zinc/82/50/57/689825057.db2.gz FJBBVANKOFMBOI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876728709 689918464 /nfs/dbraw/zinc/91/84/64/689918464.db2.gz SYGSMSOGQVWUDY-CVEARBPZSA-N 2 1 321.852 2.237 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736363 689921138 /nfs/dbraw/zinc/92/11/38/689921138.db2.gz KAPFDNRKGBLYPS-SCRDCRAPSA-N 2 1 315.889 2.329 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769662 689931867 /nfs/dbraw/zinc/93/18/67/689931867.db2.gz XGLYBJXVVKRWCA-CVEARBPZSA-N 2 1 321.852 2.237 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796950 689949862 /nfs/dbraw/zinc/94/98/62/689949862.db2.gz RTOYUZJKHZKPDC-DSPLQEQRSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035189186 690054550 /nfs/dbraw/zinc/05/45/50/690054550.db2.gz XHUFXHAIPLCRBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035189186 690054553 /nfs/dbraw/zinc/05/45/53/690054553.db2.gz XHUFXHAIPLCRBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035189186 690054555 /nfs/dbraw/zinc/05/45/55/690054555.db2.gz XHUFXHAIPLCRBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857380 690194847 /nfs/dbraw/zinc/19/48/47/690194847.db2.gz BEVLBXCYKACZCA-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036204215 690290276 /nfs/dbraw/zinc/29/02/76/690290276.db2.gz FBTDBRAUTBQHCK-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039283249 691074884 /nfs/dbraw/zinc/07/48/84/691074884.db2.gz OOGLGYCJQZDIEA-AKBNIOSXSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386357 691095154 /nfs/dbraw/zinc/09/51/54/691095154.db2.gz LBLMPDIBSLKFDM-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399820 691097900 /nfs/dbraw/zinc/09/79/00/691097900.db2.gz WQNFFTRVNIDNQU-SJORKVTESA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431797 691104687 /nfs/dbraw/zinc/10/46/87/691104687.db2.gz UCOYFSBLTJVANM-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460160 691110686 /nfs/dbraw/zinc/11/06/86/691110686.db2.gz BQZNJMSOCMJQQW-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460160 691110690 /nfs/dbraw/zinc/11/06/90/691110690.db2.gz BQZNJMSOCMJQQW-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460160 691110692 /nfs/dbraw/zinc/11/06/92/691110692.db2.gz BQZNJMSOCMJQQW-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230804 691216760 /nfs/dbraw/zinc/21/67/60/691216760.db2.gz GBFYTXKXSUMWCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230804 691216762 /nfs/dbraw/zinc/21/67/62/691216762.db2.gz GBFYTXKXSUMWCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230804 691216764 /nfs/dbraw/zinc/21/67/64/691216764.db2.gz GBFYTXKXSUMWCE-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264030 691222234 /nfs/dbraw/zinc/22/22/34/691222234.db2.gz KVVLBMXRUCTLJT-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264030 691222238 /nfs/dbraw/zinc/22/22/38/691222238.db2.gz KVVLBMXRUCTLJT-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264030 691222239 /nfs/dbraw/zinc/22/22/39/691222239.db2.gz KVVLBMXRUCTLJT-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367771 691236702 /nfs/dbraw/zinc/23/67/02/691236702.db2.gz BCTLSSCPUFNNOZ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396976 691241872 /nfs/dbraw/zinc/24/18/72/691241872.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396976 691241873 /nfs/dbraw/zinc/24/18/73/691241873.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396976 691241874 /nfs/dbraw/zinc/24/18/74/691241874.db2.gz XLMSIGXEFNGWEQ-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542054 691263367 /nfs/dbraw/zinc/26/33/67/691263367.db2.gz FLLBXUNKLOHXKJ-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723847 691282189 /nfs/dbraw/zinc/28/21/89/691282189.db2.gz MZEFXHOBIBZBFM-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040848601 691292940 /nfs/dbraw/zinc/29/29/40/691292940.db2.gz LYLMNYWGWNIMLL-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358903 691366872 /nfs/dbraw/zinc/36/68/72/691366872.db2.gz RGHINESMZAACDA-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358903 691366874 /nfs/dbraw/zinc/36/68/74/691366874.db2.gz RGHINESMZAACDA-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358903 691366878 /nfs/dbraw/zinc/36/68/78/691366878.db2.gz RGHINESMZAACDA-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041374299 691368932 /nfs/dbraw/zinc/36/89/32/691368932.db2.gz DOAAOCHQKFOLLO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041374299 691368934 /nfs/dbraw/zinc/36/89/34/691368934.db2.gz DOAAOCHQKFOLLO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041374299 691368936 /nfs/dbraw/zinc/36/89/36/691368936.db2.gz DOAAOCHQKFOLLO-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691679 691410957 /nfs/dbraw/zinc/41/09/57/691410957.db2.gz FVEOWYSJPNNZQL-HOCLYGCPSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691679 691410958 /nfs/dbraw/zinc/41/09/58/691410958.db2.gz FVEOWYSJPNNZQL-HOCLYGCPSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000883131108 691435918 /nfs/dbraw/zinc/43/59/18/691435918.db2.gz HAIACRPQCYAVQV-UHFFFAOYSA-N 2 1 302.418 2.283 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001043466061 691709453 /nfs/dbraw/zinc/70/94/53/691709453.db2.gz GEUNTFIFOVROSH-UHFFFAOYSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001043603638 691724207 /nfs/dbraw/zinc/72/42/07/691724207.db2.gz NNNIKLRWZIEQQZ-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438392 691981174 /nfs/dbraw/zinc/98/11/74/691981174.db2.gz RZLNRNCMENOHBP-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438276 691981371 /nfs/dbraw/zinc/98/13/71/691981371.db2.gz NFJASTJWJKQCOB-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046626878 692242787 /nfs/dbraw/zinc/24/27/87/692242787.db2.gz WBLLSBCETFHWHN-IBGZPJMESA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048531782 692640876 /nfs/dbraw/zinc/64/08/76/692640876.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531782 692640880 /nfs/dbraw/zinc/64/08/80/692640880.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531782 692640883 /nfs/dbraw/zinc/64/08/83/692640883.db2.gz DDGLZXHXBQACNL-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046466 693090675 /nfs/dbraw/zinc/09/06/75/693090675.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046466 693090677 /nfs/dbraw/zinc/09/06/77/693090677.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046466 693090680 /nfs/dbraw/zinc/09/06/80/693090680.db2.gz FVTPHADWMBLQHI-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050577186 693209400 /nfs/dbraw/zinc/20/94/00/693209400.db2.gz NIYLAOMOJLZECP-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439528 693535000 /nfs/dbraw/zinc/53/50/00/693535000.db2.gz OYOHSABALCBQMA-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439528 693535004 /nfs/dbraw/zinc/53/50/04/693535004.db2.gz OYOHSABALCBQMA-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001052458193 693540074 /nfs/dbraw/zinc/54/00/74/693540074.db2.gz ZTYKEYGSANLTSJ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001052458193 693540079 /nfs/dbraw/zinc/54/00/79/693540079.db2.gz ZTYKEYGSANLTSJ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC001052458193 693540082 /nfs/dbraw/zinc/54/00/82/693540082.db2.gz ZTYKEYGSANLTSJ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC001052458193 693540085 /nfs/dbraw/zinc/54/00/85/693540085.db2.gz ZTYKEYGSANLTSJ-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515821 693555411 /nfs/dbraw/zinc/55/54/11/693555411.db2.gz JWTGZOBVDCURJQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515821 693555415 /nfs/dbraw/zinc/55/54/15/693555415.db2.gz JWTGZOBVDCURJQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515821 693555420 /nfs/dbraw/zinc/55/54/20/693555420.db2.gz JWTGZOBVDCURJQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619271 693580246 /nfs/dbraw/zinc/58/02/46/693580246.db2.gz FDNLFHFBIVAWSK-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286645 1162315088 /nfs/dbraw/zinc/31/50/88/1162315088.db2.gz CWVWQOTYXAEVTK-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302807 1152998125 /nfs/dbraw/zinc/99/81/25/1152998125.db2.gz YFMSQPYPVYQTEW-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302807 1152998137 /nfs/dbraw/zinc/99/81/37/1152998137.db2.gz YFMSQPYPVYQTEW-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001393970307 1158110714 /nfs/dbraw/zinc/11/07/14/1158110714.db2.gz CDMNZRDNQRUBAH-OLZOCXBDSA-N 2 1 303.878 2.200 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001401833438 1162148681 /nfs/dbraw/zinc/14/86/81/1162148681.db2.gz WJTNAZFUSZFWMH-GJZGRUSLSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001420811684 1171192259 /nfs/dbraw/zinc/19/22/59/1171192259.db2.gz ZOIUUZWNUHJHHL-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001422137140 1172333470 /nfs/dbraw/zinc/33/34/70/1172333470.db2.gz VYGAAPKVXXXKOP-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001422137140 1172333482 /nfs/dbraw/zinc/33/34/82/1172333482.db2.gz VYGAAPKVXXXKOP-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001422137140 1172333491 /nfs/dbraw/zinc/33/34/91/1172333491.db2.gz VYGAAPKVXXXKOP-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001422137140 1172333499 /nfs/dbraw/zinc/33/34/99/1172333499.db2.gz VYGAAPKVXXXKOP-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001422878638 1172894172 /nfs/dbraw/zinc/89/41/72/1172894172.db2.gz XRTAAXFZVRHVPQ-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001444213260 1183316524 /nfs/dbraw/zinc/31/65/24/1183316524.db2.gz VQBHPWMKYKLVQG-MRXNPFEDSA-N 2 1 321.852 2.239 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001444531452 1183434868 /nfs/dbraw/zinc/43/48/68/1183434868.db2.gz BUFIDYCNILWXHP-CYBMUJFWSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001449006299 1185482563 /nfs/dbraw/zinc/48/25/63/1185482563.db2.gz COOBYSAVZKJVRP-GDBMZVCRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001449006299 1185482566 /nfs/dbraw/zinc/48/25/66/1185482566.db2.gz COOBYSAVZKJVRP-GDBMZVCRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449006299 1185482570 /nfs/dbraw/zinc/48/25/70/1185482570.db2.gz COOBYSAVZKJVRP-GDBMZVCRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449006299 1185482571 /nfs/dbraw/zinc/48/25/71/1185482571.db2.gz COOBYSAVZKJVRP-GDBMZVCRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896263 790292569 /nfs/dbraw/zinc/29/25/69/790292569.db2.gz FGYCVJSNCKKREV-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001106223095 782537792 /nfs/dbraw/zinc/53/77/92/782537792.db2.gz AIBYMUBVXKZRJB-OWCLPIDISA-N 2 1 318.465 2.381 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001332810617 1149894912 /nfs/dbraw/zinc/89/49/12/1149894912.db2.gz TZWKUOAGJFRNLR-ARFHVFGLSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730928 782897050 /nfs/dbraw/zinc/89/70/50/782897050.db2.gz XGTWWTIQVMWBRH-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC001333458458 1150052578 /nfs/dbraw/zinc/05/25/78/1150052578.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 2 1 313.445 2.053 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001333458458 1150052585 /nfs/dbraw/zinc/05/25/85/1150052585.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 2 1 313.445 2.053 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001333458458 1150052588 /nfs/dbraw/zinc/05/25/88/1150052588.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 2 1 313.445 2.053 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001333458458 1150052591 /nfs/dbraw/zinc/05/25/91/1150052591.db2.gz PVFPJKXMSKQZQE-UHFFFAOYSA-N 2 1 313.445 2.053 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050040 790418818 /nfs/dbraw/zinc/41/88/18/790418818.db2.gz HEBKWNOKVWPPGJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050040 790418827 /nfs/dbraw/zinc/41/88/27/790418827.db2.gz HEBKWNOKVWPPGJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050040 790418832 /nfs/dbraw/zinc/41/88/32/790418832.db2.gz HEBKWNOKVWPPGJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115571610 776551596 /nfs/dbraw/zinc/55/15/96/776551596.db2.gz GZJOKHBTURCYIP-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001167474523 777128174 /nfs/dbraw/zinc/12/81/74/777128174.db2.gz DQYYGODBDBHXBV-UHFFFAOYSA-N 2 1 307.482 2.008 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001098219718 777374360 /nfs/dbraw/zinc/37/43/60/777374360.db2.gz QJYZXWGBQPKARF-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098219718 777374367 /nfs/dbraw/zinc/37/43/67/777374367.db2.gz QJYZXWGBQPKARF-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001098219718 777374371 /nfs/dbraw/zinc/37/43/71/777374371.db2.gz QJYZXWGBQPKARF-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301604 777751703 /nfs/dbraw/zinc/75/17/03/777751703.db2.gz FRUTUBRDSRFMKB-IXDOHACOSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676529 778015975 /nfs/dbraw/zinc/01/59/75/778015975.db2.gz NZNWRJJUUXCURN-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104681993 778019440 /nfs/dbraw/zinc/01/94/40/778019440.db2.gz WISLGNKVKXAJPH-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104872338 778226570 /nfs/dbraw/zinc/22/65/70/778226570.db2.gz BMNUSWJCYBLURV-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908771 778244653 /nfs/dbraw/zinc/24/46/53/778244653.db2.gz KHBNEMSLFWTQPY-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701569 779416362 /nfs/dbraw/zinc/41/63/62/779416362.db2.gz BDDNTRPJSAOWOK-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701569 779416366 /nfs/dbraw/zinc/41/63/66/779416366.db2.gz BDDNTRPJSAOWOK-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701569 779416369 /nfs/dbraw/zinc/41/63/69/779416369.db2.gz BDDNTRPJSAOWOK-LUKYLMHMSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781349 779449500 /nfs/dbraw/zinc/44/95/00/779449500.db2.gz DYSSXFBINCBAAV-DLBZAZTESA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985497409 779868319 /nfs/dbraw/zinc/86/83/19/779868319.db2.gz WJRDRWPLMASUCW-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876416 780048271 /nfs/dbraw/zinc/04/82/71/780048271.db2.gz PUIDIRLNOLFLEY-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876416 780048278 /nfs/dbraw/zinc/04/82/78/780048278.db2.gz PUIDIRLNOLFLEY-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876416 780048285 /nfs/dbraw/zinc/04/82/85/780048285.db2.gz PUIDIRLNOLFLEY-RCCFBDPRSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395048 780067379 /nfs/dbraw/zinc/06/73/79/780067379.db2.gz WBHNVYQNTNOZDU-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088562768 780477976 /nfs/dbraw/zinc/47/79/76/780477976.db2.gz MBYMHVKDCGOFIT-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621729 780661419 /nfs/dbraw/zinc/66/14/19/780661419.db2.gz QLDFWJKIGPVPGD-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621729 780661426 /nfs/dbraw/zinc/66/14/26/780661426.db2.gz QLDFWJKIGPVPGD-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621729 780661428 /nfs/dbraw/zinc/66/14/28/780661428.db2.gz QLDFWJKIGPVPGD-IKGGRYGDSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529409 783554100 /nfs/dbraw/zinc/55/41/00/783554100.db2.gz PLHIPWBTKAPCRR-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905028 783812089 /nfs/dbraw/zinc/81/20/89/783812089.db2.gz WVCBGJRCVAHHBP-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192302 784247454 /nfs/dbraw/zinc/24/74/54/784247454.db2.gz QJBBYXZZDRYZGS-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377569 784339443 /nfs/dbraw/zinc/33/94/43/784339443.db2.gz JMKGIFCVLXLGII-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086221336 784499640 /nfs/dbraw/zinc/49/96/40/784499640.db2.gz PCAMXUOMBQXQDL-VVLHAWIVSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497186 784794987 /nfs/dbraw/zinc/79/49/87/784794987.db2.gz AMAPFDCZYVCXHP-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nc(CC[NH3+])nc2C)cc1 ZINC001168992745 784994479 /nfs/dbraw/zinc/99/44/79/784994479.db2.gz VOHAVEHWCJQVIQ-KRWDZBQOSA-N 2 1 311.433 2.400 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008280138 785162179 /nfs/dbraw/zinc/16/21/79/785162179.db2.gz RURVPSANTWIUCT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280138 785162187 /nfs/dbraw/zinc/16/21/87/785162187.db2.gz RURVPSANTWIUCT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008280138 785162193 /nfs/dbraw/zinc/16/21/93/785162193.db2.gz RURVPSANTWIUCT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237538 791089196 /nfs/dbraw/zinc/08/91/96/791089196.db2.gz QSQLXEVGUZNRKF-IAGOWNOFSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169797427 785361350 /nfs/dbraw/zinc/36/13/50/785361350.db2.gz FTLHGQALVREOLU-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386087 785841286 /nfs/dbraw/zinc/84/12/86/785841286.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 1 316.449 2.419 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnc[nH]1)C2 ZINC001109386087 785841299 /nfs/dbraw/zinc/84/12/99/785841299.db2.gz LQNOTCMCMXZSRJ-SIXLDLHFSA-N 2 1 316.449 2.419 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441749 786595230 /nfs/dbraw/zinc/59/52/30/786595230.db2.gz QXHINMCENIECKG-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723859 786724236 /nfs/dbraw/zinc/72/42/36/786724236.db2.gz RQYVKUMNDNCYHT-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014723859 786724241 /nfs/dbraw/zinc/72/42/41/786724241.db2.gz RQYVKUMNDNCYHT-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014723859 786724246 /nfs/dbraw/zinc/72/42/46/786724246.db2.gz RQYVKUMNDNCYHT-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623653 787143726 /nfs/dbraw/zinc/14/37/26/787143726.db2.gz ZOILMZDWWUQGHY-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623653 787143735 /nfs/dbraw/zinc/14/37/35/787143735.db2.gz ZOILMZDWWUQGHY-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170505218 787436681 /nfs/dbraw/zinc/43/66/81/787436681.db2.gz QXGQBAGUTXAVAX-SFHVURJKSA-N 2 1 302.466 2.312 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269424 787601161 /nfs/dbraw/zinc/60/11/61/787601161.db2.gz RRSOXEYSLHSZGT-SQNIBIBYSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107150 787934083 /nfs/dbraw/zinc/93/40/83/787934083.db2.gz XZNPWFDJCBRJDF-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107150 787934086 /nfs/dbraw/zinc/93/40/86/787934086.db2.gz XZNPWFDJCBRJDF-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107148 787934274 /nfs/dbraw/zinc/93/42/74/787934274.db2.gz XZNPWFDJCBRJDF-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132107148 787934277 /nfs/dbraw/zinc/93/42/77/787934277.db2.gz XZNPWFDJCBRJDF-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001097176977 788009814 /nfs/dbraw/zinc/00/98/14/788009814.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097176977 788009822 /nfs/dbraw/zinc/00/98/22/788009822.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097176977 788009830 /nfs/dbraw/zinc/00/98/30/788009830.db2.gz DRBMZIFQRMRIMW-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580044 788139119 /nfs/dbraw/zinc/13/91/19/788139119.db2.gz PMLBSDZOLAKHEQ-BDXSIMOUSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133143166 788294493 /nfs/dbraw/zinc/29/44/93/788294493.db2.gz RJTSYHQDMNRMPV-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627750 789826115 /nfs/dbraw/zinc/82/61/15/789826115.db2.gz KSYDDJJYDFXEKD-ZFWWWQNUSA-N 2 1 312.417 2.411 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071954072 789985781 /nfs/dbraw/zinc/98/57/81/789985781.db2.gz JJOYCMGLUCNBDQ-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000164 790006930 /nfs/dbraw/zinc/00/69/30/790006930.db2.gz VGSBJQRWRXAKFT-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001072000164 790006934 /nfs/dbraw/zinc/00/69/34/790006934.db2.gz VGSBJQRWRXAKFT-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072734566 790233436 /nfs/dbraw/zinc/23/34/36/790233436.db2.gz KRKJALJXMBPPKY-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001098462704 791634194 /nfs/dbraw/zinc/63/41/94/791634194.db2.gz JBGYTIGUSIIYII-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098462704 791634199 /nfs/dbraw/zinc/63/41/99/791634199.db2.gz JBGYTIGUSIIYII-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098462704 791634204 /nfs/dbraw/zinc/63/42/04/791634204.db2.gz JBGYTIGUSIIYII-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667314 /nfs/dbraw/zinc/66/73/14/791667314.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667320 /nfs/dbraw/zinc/66/73/20/791667320.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985447 791667331 /nfs/dbraw/zinc/66/73/31/791667331.db2.gz HMXYUVKJIVTSON-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315911 791737759 /nfs/dbraw/zinc/73/77/59/791737759.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315911 791737765 /nfs/dbraw/zinc/73/77/65/791737765.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315911 791737770 /nfs/dbraw/zinc/73/77/70/791737770.db2.gz ZZMYKZVNPXCCMP-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942418 791856908 /nfs/dbraw/zinc/85/69/08/791856908.db2.gz QOBMXEGCTFJFSP-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910411 791898184 /nfs/dbraw/zinc/89/81/84/791898184.db2.gz WOOYPTZUNGXYPB-APWZRJJASA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092198947 791943364 /nfs/dbraw/zinc/94/33/64/791943364.db2.gz DDOMSMHXCHJAMN-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198947 791943368 /nfs/dbraw/zinc/94/33/68/791943368.db2.gz DDOMSMHXCHJAMN-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092198947 791943369 /nfs/dbraw/zinc/94/33/69/791943369.db2.gz DDOMSMHXCHJAMN-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099111206 792100317 /nfs/dbraw/zinc/10/03/17/792100317.db2.gz VCPUNQXQNWVOPM-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099233636 792145508 /nfs/dbraw/zinc/14/55/08/792145508.db2.gz AHBPISLTLRRVNA-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233636 792145514 /nfs/dbraw/zinc/14/55/14/792145514.db2.gz AHBPISLTLRRVNA-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099233636 792145521 /nfs/dbraw/zinc/14/55/21/792145521.db2.gz AHBPISLTLRRVNA-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310553 792167190 /nfs/dbraw/zinc/16/71/90/792167190.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310553 792167193 /nfs/dbraw/zinc/16/71/93/792167193.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310553 792167198 /nfs/dbraw/zinc/16/71/98/792167198.db2.gz PHHSYYMUYFACPU-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729761 792816594 /nfs/dbraw/zinc/81/65/94/792816594.db2.gz NJNKCYXRLQHFOZ-UHFFFAOYSA-N 2 1 318.465 2.457 20 30 DEEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100765046 792831183 /nfs/dbraw/zinc/83/11/83/792831183.db2.gz QLSLBRAXYBGKCQ-UHFFFAOYSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100981015 792954478 /nfs/dbraw/zinc/95/44/78/792954478.db2.gz QYTHEJAIYWKNDU-AQFXKWCLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285233 793102214 /nfs/dbraw/zinc/10/22/14/793102214.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285233 793102222 /nfs/dbraw/zinc/10/22/22/793102222.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285233 793102227 /nfs/dbraw/zinc/10/22/27/793102227.db2.gz UDFJLFBCXUWKPB-QAPCUYQASA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443711 793163762 /nfs/dbraw/zinc/16/37/62/793163762.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443711 793163768 /nfs/dbraw/zinc/16/37/68/793163768.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443711 793163778 /nfs/dbraw/zinc/16/37/78/793163778.db2.gz PDSSIWUHTNFMMX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825741 793209350 /nfs/dbraw/zinc/20/93/50/793209350.db2.gz HTQPLLFNZKMQBR-HNNXBMFYSA-N 2 1 318.465 2.213 20 30 DEEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C[C@H]1C#N ZINC001172987138 793551360 /nfs/dbraw/zinc/55/13/60/793551360.db2.gz WPVFITQKXCRMSU-KBPBESRZSA-N 2 1 322.453 2.091 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095009078 793573256 /nfs/dbraw/zinc/57/32/56/793573256.db2.gz UJSJLXKAICHEEW-JYJNAYRXSA-N 2 1 316.449 2.162 20 30 DEEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626087 /nfs/dbraw/zinc/62/60/87/793626087.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626093 /nfs/dbraw/zinc/62/60/93/793626093.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472144 793626098 /nfs/dbraw/zinc/62/60/98/793626098.db2.gz KIERZTDSFMJMEB-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520735 793639810 /nfs/dbraw/zinc/63/98/10/793639810.db2.gz XRYCEZAMYWSPBI-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596568 793666511 /nfs/dbraw/zinc/66/65/11/793666511.db2.gz MRWHZXHUYCBCPE-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)C1CCC(C)(C#N)CC1 ZINC001173596480 793776352 /nfs/dbraw/zinc/77/63/52/793776352.db2.gz YCDWEYSIXVQGBU-UHFFFAOYSA-N 2 1 309.454 2.276 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157930 793960320 /nfs/dbraw/zinc/96/03/20/793960320.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157930 793960326 /nfs/dbraw/zinc/96/03/26/793960326.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157930 793960331 /nfs/dbraw/zinc/96/03/31/793960331.db2.gz JSHDNUKVASACNP-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234206 793993879 /nfs/dbraw/zinc/99/38/79/793993879.db2.gz GNHKQNBDUUKOHZ-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234206 793993889 /nfs/dbraw/zinc/99/38/89/793993889.db2.gz GNHKQNBDUUKOHZ-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233269 793994917 /nfs/dbraw/zinc/99/49/17/793994917.db2.gz HDFSNHBDRQYPMC-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233269 793994925 /nfs/dbraw/zinc/99/49/25/793994925.db2.gz HDFSNHBDRQYPMC-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408718 794077926 /nfs/dbraw/zinc/07/79/26/794077926.db2.gz QIUOOGDVTOYXSD-BRWVUGGUSA-N 2 1 309.498 2.223 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256502 794171048 /nfs/dbraw/zinc/17/10/48/794171048.db2.gz KYQJWNBCHNEOJE-HUUCEWRRSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111779185 794477653 /nfs/dbraw/zinc/47/76/53/794477653.db2.gz YFTKBMWRSJOHNA-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835748 794494290 /nfs/dbraw/zinc/49/42/90/794494290.db2.gz JWJVAACCAKIZGQ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835748 794494297 /nfs/dbraw/zinc/49/42/97/794494297.db2.gz JWJVAACCAKIZGQ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835748 794494300 /nfs/dbraw/zinc/49/43/00/794494300.db2.gz JWJVAACCAKIZGQ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835748 794494305 /nfs/dbraw/zinc/49/43/05/794494305.db2.gz JWJVAACCAKIZGQ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760109 794498600 /nfs/dbraw/zinc/49/86/00/794498600.db2.gz QAXPKXOPVGGYEG-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630272 794851055 /nfs/dbraw/zinc/85/10/55/794851055.db2.gz HMLTYFVKPWDPBD-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688442 794975203 /nfs/dbraw/zinc/97/52/03/794975203.db2.gz CWVZGHNWDLLLIQ-ULQDDVLXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150021 795069250 /nfs/dbraw/zinc/06/92/50/795069250.db2.gz IKNVGZRYEDMSQM-BPUTZDHNSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179590916 795138564 /nfs/dbraw/zinc/13/85/64/795138564.db2.gz LZIZCZCGSXFTGI-INIZCTEOSA-N 2 1 318.465 2.206 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719891 795164801 /nfs/dbraw/zinc/16/48/01/795164801.db2.gz SFYLCFBDOKPQNS-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823796 795189989 /nfs/dbraw/zinc/18/99/89/795189989.db2.gz BWGYQPXOYOFPAO-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180900058 795387944 /nfs/dbraw/zinc/38/79/44/795387944.db2.gz UGYCJKCOLJFLJY-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439486 795459454 /nfs/dbraw/zinc/45/94/54/795459454.db2.gz HBBISEIFFLMBHV-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121246418 795607930 /nfs/dbraw/zinc/60/79/30/795607930.db2.gz PFBAOMFOHTYXSW-UHFFFAOYSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896631 795776309 /nfs/dbraw/zinc/77/63/09/795776309.db2.gz AWRFFEHGMTYOIH-CRAIPNDOSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183825720 795947524 /nfs/dbraw/zinc/94/75/24/795947524.db2.gz ATWOUQSKQPMXRU-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867502 795954421 /nfs/dbraw/zinc/95/44/21/795954421.db2.gz DZOXJYLXAMLZAN-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185215276 796214822 /nfs/dbraw/zinc/21/48/22/796214822.db2.gz KKKOETPJHPTWMK-JKSUJKDBSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185445160 796258490 /nfs/dbraw/zinc/25/84/90/796258490.db2.gz FFWOZRAVMUSERU-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187841975 796586957 /nfs/dbraw/zinc/58/69/57/796586957.db2.gz HQGPKQHYZFCMQI-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203103871 796650299 /nfs/dbraw/zinc/65/02/99/796650299.db2.gz NJCUASRBRQCHJZ-HUUCEWRRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188561384 796681238 /nfs/dbraw/zinc/68/12/38/796681238.db2.gz DCQYGOXTVXNRES-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190484729 797009859 /nfs/dbraw/zinc/00/98/59/797009859.db2.gz WYUWMNQSRGGURU-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484729 797009866 /nfs/dbraw/zinc/00/98/66/797009866.db2.gz WYUWMNQSRGGURU-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484729 797009869 /nfs/dbraw/zinc/00/98/69/797009869.db2.gz WYUWMNQSRGGURU-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360842 797189775 /nfs/dbraw/zinc/18/97/75/797189775.db2.gz TYQGRQMEYXSNLZ-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360842 797189781 /nfs/dbraw/zinc/18/97/81/797189781.db2.gz TYQGRQMEYXSNLZ-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360842 797189785 /nfs/dbraw/zinc/18/97/85/797189785.db2.gz TYQGRQMEYXSNLZ-HOCLYGCPSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989141 797294702 /nfs/dbraw/zinc/29/47/02/797294702.db2.gz QLPDCNSRPVPEDC-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967075 797299401 /nfs/dbraw/zinc/29/94/01/797299401.db2.gz DBMLLCNFVMWJTI-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967075 797299403 /nfs/dbraw/zinc/29/94/03/797299403.db2.gz DBMLLCNFVMWJTI-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967075 797299406 /nfs/dbraw/zinc/29/94/06/797299406.db2.gz DBMLLCNFVMWJTI-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194265253 797702305 /nfs/dbraw/zinc/70/23/05/797702305.db2.gz COLPZFQJJBOCAK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194265253 797702308 /nfs/dbraw/zinc/70/23/08/797702308.db2.gz COLPZFQJJBOCAK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196216088 798022240 /nfs/dbraw/zinc/02/22/40/798022240.db2.gz ZTOPACNRJFZUAT-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC)CC1 ZINC001157092052 798142462 /nfs/dbraw/zinc/14/24/62/798142462.db2.gz HRLPQWWUDZJJFW-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198258991 798306034 /nfs/dbraw/zinc/30/60/34/798306034.db2.gz IOGCAAZYMNTFBQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198258991 798306041 /nfs/dbraw/zinc/30/60/41/798306041.db2.gz IOGCAAZYMNTFBQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198258991 798306050 /nfs/dbraw/zinc/30/60/50/798306050.db2.gz IOGCAAZYMNTFBQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289393 798376791 /nfs/dbraw/zinc/37/67/91/798376791.db2.gz GRZZUOGOPUGFQR-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158856451 798479395 /nfs/dbraw/zinc/47/93/95/798479395.db2.gz HMNCLHUTYIQRIA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158856451 798479396 /nfs/dbraw/zinc/47/93/96/798479396.db2.gz HMNCLHUTYIQRIA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158856451 798479398 /nfs/dbraw/zinc/47/93/98/798479398.db2.gz HMNCLHUTYIQRIA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567670 798707149 /nfs/dbraw/zinc/70/71/49/798707149.db2.gz ISEHLKNTECGSJV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567670 798707152 /nfs/dbraw/zinc/70/71/52/798707152.db2.gz ISEHLKNTECGSJV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567670 798707156 /nfs/dbraw/zinc/70/71/56/798707156.db2.gz ISEHLKNTECGSJV-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201229648 798723327 /nfs/dbraw/zinc/72/33/27/798723327.db2.gz FHVGZRRHCHQXNH-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856934 798750416 /nfs/dbraw/zinc/75/04/16/798750416.db2.gz SFAJVVAZORRYKU-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161214061 798811195 /nfs/dbraw/zinc/81/11/95/798811195.db2.gz RIEFFNFIGRABOM-SFHVURJKSA-N 2 1 319.493 2.269 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161383463 798841903 /nfs/dbraw/zinc/84/19/03/798841903.db2.gz YTURSKWBOLNCLP-UHFFFAOYSA-N 2 1 316.449 2.331 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161383463 798841910 /nfs/dbraw/zinc/84/19/10/798841910.db2.gz YTURSKWBOLNCLP-UHFFFAOYSA-N 2 1 316.449 2.331 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390969 798845510 /nfs/dbraw/zinc/84/55/10/798845510.db2.gz MKURZXIIQXUWRN-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555149 798885058 /nfs/dbraw/zinc/88/50/58/798885058.db2.gz YFVBHZHNHWKAEP-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161705513 798917225 /nfs/dbraw/zinc/91/72/25/798917225.db2.gz USHRSXHMLLMIQV-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705513 798917231 /nfs/dbraw/zinc/91/72/31/798917231.db2.gz USHRSXHMLLMIQV-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705513 798917233 /nfs/dbraw/zinc/91/72/33/798917233.db2.gz USHRSXHMLLMIQV-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001202495986 798984429 /nfs/dbraw/zinc/98/44/29/798984429.db2.gz LWSIHAWKMMXABN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202771611 799486797 /nfs/dbraw/zinc/48/67/97/799486797.db2.gz IWKNQIUMMVZTOV-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424209 799589161 /nfs/dbraw/zinc/58/91/61/799589161.db2.gz IMBORPSUAPJCMQ-OWSLCNJRSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531829 799618709 /nfs/dbraw/zinc/61/87/09/799618709.db2.gz UCVBXCASJLNBFT-IRXDYDNUSA-N 2 1 319.493 2.313 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533935 799650830 /nfs/dbraw/zinc/65/08/30/799650830.db2.gz UOWLYXSFCFKZEV-OWSLCNJRSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533935 799650832 /nfs/dbraw/zinc/65/08/32/799650832.db2.gz UOWLYXSFCFKZEV-OWSLCNJRSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533935 799650834 /nfs/dbraw/zinc/65/08/34/799650834.db2.gz UOWLYXSFCFKZEV-OWSLCNJRSA-N 2 1 317.477 2.301 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483424 800362814 /nfs/dbraw/zinc/36/28/14/800362814.db2.gz CYPFJGMRHQJRKI-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031473 800461631 /nfs/dbraw/zinc/46/16/31/800461631.db2.gz RZOKXMBOLJFUHS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207104590 800683697 /nfs/dbraw/zinc/68/36/97/800683697.db2.gz DMCTULYJHJYNDU-UHFFFAOYSA-N 2 1 309.417 2.339 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435897 800751198 /nfs/dbraw/zinc/75/11/98/800751198.db2.gz NIJQTEPQQAXKDI-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001207483247 800764976 /nfs/dbraw/zinc/76/49/76/800764976.db2.gz VFQYPSQYXYZYPG-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859060 800849988 /nfs/dbraw/zinc/84/99/88/800849988.db2.gz GXRKPKBNYGJTIN-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001229186524 801239276 /nfs/dbraw/zinc/23/92/76/801239276.db2.gz XMIFWLLCZJXZMM-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP N#Cc1cc(F)cc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267982 801364590 /nfs/dbraw/zinc/36/45/90/801364590.db2.gz PQWPBYWUFFDVDY-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001211221108 801532254 /nfs/dbraw/zinc/53/22/54/801532254.db2.gz BALBIXJCEABDHW-IXDOHACOSA-N 2 1 322.497 2.077 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303791372 801758328 /nfs/dbraw/zinc/75/83/28/801758328.db2.gz XKWCYOURBYBTHL-INIZCTEOSA-N 2 1 304.438 2.078 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214888835 801773239 /nfs/dbraw/zinc/77/32/39/801773239.db2.gz DDYBHVIVAWOFNP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750264 802021881 /nfs/dbraw/zinc/02/18/81/802021881.db2.gz WBEHCIVNZIVFNU-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346167 802359133 /nfs/dbraw/zinc/35/91/33/802359133.db2.gz QQUOEXZBKZMLCS-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234346167 802359138 /nfs/dbraw/zinc/35/91/38/802359138.db2.gz QQUOEXZBKZMLCS-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444904 802573762 /nfs/dbraw/zinc/57/37/62/802573762.db2.gz SBRSCVHIRKHLCR-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444904 802573764 /nfs/dbraw/zinc/57/37/64/802573764.db2.gz SBRSCVHIRKHLCR-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444904 802573766 /nfs/dbraw/zinc/57/37/66/802573766.db2.gz SBRSCVHIRKHLCR-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818164 802617833 /nfs/dbraw/zinc/61/78/33/802617833.db2.gz IHIRNOHPUJBVBH-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818164 802617837 /nfs/dbraw/zinc/61/78/37/802617837.db2.gz IHIRNOHPUJBVBH-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818164 802617839 /nfs/dbraw/zinc/61/78/39/802617839.db2.gz IHIRNOHPUJBVBH-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221972633 802629941 /nfs/dbraw/zinc/62/99/41/802629941.db2.gz BGWWOBILUKQJDS-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221972633 802629945 /nfs/dbraw/zinc/62/99/45/802629945.db2.gz BGWWOBILUKQJDS-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221972633 802629947 /nfs/dbraw/zinc/62/99/47/802629947.db2.gz BGWWOBILUKQJDS-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053427 802636079 /nfs/dbraw/zinc/63/60/79/802636079.db2.gz PSPWAJFASHJFHD-GVDBMIGSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053427 802636082 /nfs/dbraw/zinc/63/60/82/802636082.db2.gz PSPWAJFASHJFHD-GVDBMIGSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053427 802636087 /nfs/dbraw/zinc/63/60/87/802636087.db2.gz PSPWAJFASHJFHD-GVDBMIGSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001223259699 802776092 /nfs/dbraw/zinc/77/60/92/802776092.db2.gz QBWJKAPAXNOVMM-HNNXBMFYSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223480478 802793843 /nfs/dbraw/zinc/79/38/43/802793843.db2.gz MXPYNUVQKSFZAL-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226333172 803093130 /nfs/dbraw/zinc/09/31/30/803093130.db2.gz FKJWMLVPKUWBDS-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330915979 1149332417 /nfs/dbraw/zinc/33/24/17/1149332417.db2.gz LTCANWVPTQENTM-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001328572792 1148811702 /nfs/dbraw/zinc/81/17/02/1148811702.db2.gz BYQZTJNQSPJQDA-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001328572792 1148811705 /nfs/dbraw/zinc/81/17/05/1148811705.db2.gz BYQZTJNQSPJQDA-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001328572792 1148811712 /nfs/dbraw/zinc/81/17/12/1148811712.db2.gz BYQZTJNQSPJQDA-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328588970 1148813532 /nfs/dbraw/zinc/81/35/32/1148813532.db2.gz RLQXWGSIOQHDRM-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328588970 1148813533 /nfs/dbraw/zinc/81/35/33/1148813533.db2.gz RLQXWGSIOQHDRM-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328588970 1148813534 /nfs/dbraw/zinc/81/35/34/1148813534.db2.gz RLQXWGSIOQHDRM-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001328693671 1148824930 /nfs/dbraw/zinc/82/49/30/1148824930.db2.gz LJJAZKQFOYPTQY-IEBWSBKVSA-N 2 1 315.461 2.276 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001328796420 1148836319 /nfs/dbraw/zinc/83/63/19/1148836319.db2.gz HJCBRJHDJGTSRV-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500495402 1058854568 /nfs/dbraw/zinc/85/45/68/1058854568.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495402 1058854595 /nfs/dbraw/zinc/85/45/95/1058854595.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495402 1058854616 /nfs/dbraw/zinc/85/46/16/1058854616.db2.gz DKUMMLQNWNMXON-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001501173390 1059348383 /nfs/dbraw/zinc/34/83/83/1059348383.db2.gz DNGWPMBNRCMFRI-BJWYYQGGSA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001501173390 1059348403 /nfs/dbraw/zinc/34/84/03/1059348403.db2.gz DNGWPMBNRCMFRI-BJWYYQGGSA-N 2 1 316.449 2.127 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1 ZINC001467728791 1059693799 /nfs/dbraw/zinc/69/37/99/1059693799.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001467728791 1059693809 /nfs/dbraw/zinc/69/38/09/1059693809.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001467728791 1059693821 /nfs/dbraw/zinc/69/38/21/1059693821.db2.gz QEWRLTSBGUYADK-GVDBMIGSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001502350230 1060060875 /nfs/dbraw/zinc/06/08/75/1060060875.db2.gz UEOJUYBCFGLPJA-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502933157 1060398711 /nfs/dbraw/zinc/39/87/11/1060398711.db2.gz JMTHZFIGANMTCT-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502933157 1060398730 /nfs/dbraw/zinc/39/87/30/1060398730.db2.gz JMTHZFIGANMTCT-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001502933157 1060398747 /nfs/dbraw/zinc/39/87/47/1060398747.db2.gz JMTHZFIGANMTCT-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001502933157 1060398764 /nfs/dbraw/zinc/39/87/64/1060398764.db2.gz JMTHZFIGANMTCT-KGLIPLIRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001505431457 1060585992 /nfs/dbraw/zinc/58/59/92/1060585992.db2.gz WCWMGPQZWKBWHG-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505431457 1060586003 /nfs/dbraw/zinc/58/60/03/1060586003.db2.gz WCWMGPQZWKBWHG-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505431457 1060586015 /nfs/dbraw/zinc/58/60/15/1060586015.db2.gz WCWMGPQZWKBWHG-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835595 1061869812 /nfs/dbraw/zinc/86/98/12/1061869812.db2.gz XWKCVJAOJMXHNZ-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479958128 1062108058 /nfs/dbraw/zinc/10/80/58/1062108058.db2.gz TWEBSXXBBRGOMX-INIZCTEOSA-N 2 1 306.454 2.352 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479958128 1062108065 /nfs/dbraw/zinc/10/80/65/1062108065.db2.gz TWEBSXXBBRGOMX-INIZCTEOSA-N 2 1 306.454 2.352 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001479989775 1062151835 /nfs/dbraw/zinc/15/18/35/1062151835.db2.gz UFJSKGIYKHGKNT-INIZCTEOSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506928135 1062538949 /nfs/dbraw/zinc/53/89/49/1062538949.db2.gz LZAJKRZIJPEZOD-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480267877 1062571940 /nfs/dbraw/zinc/57/19/40/1062571940.db2.gz STARFOSSLCVIBV-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480267877 1062571958 /nfs/dbraw/zinc/57/19/58/1062571958.db2.gz STARFOSSLCVIBV-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480267877 1062571976 /nfs/dbraw/zinc/57/19/76/1062571976.db2.gz STARFOSSLCVIBV-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480300486 1062605602 /nfs/dbraw/zinc/60/56/02/1062605602.db2.gz NTNNXUVOCTXDSY-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480620537 1063111910 /nfs/dbraw/zinc/11/19/10/1063111910.db2.gz DSVYEPUSIKUOLY-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001493243468 1063665202 /nfs/dbraw/zinc/66/52/02/1063665202.db2.gz GADJJWPDQQIHFO-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001494215215 1064177222 /nfs/dbraw/zinc/17/72/22/1064177222.db2.gz YNJFKHHOKNHKOI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001494215215 1064177227 /nfs/dbraw/zinc/17/72/27/1064177227.db2.gz YNJFKHHOKNHKOI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001567738829 1064392937 /nfs/dbraw/zinc/39/29/37/1064392937.db2.gz SVPCBWYJFMHRAE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738829 1064392947 /nfs/dbraw/zinc/39/29/47/1064392947.db2.gz SVPCBWYJFMHRAE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001567738829 1064392956 /nfs/dbraw/zinc/39/29/56/1064392956.db2.gz SVPCBWYJFMHRAE-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001567940761 1064544608 /nfs/dbraw/zinc/54/46/08/1064544608.db2.gz MCENPSNYYUAMID-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001567940761 1064544623 /nfs/dbraw/zinc/54/46/23/1064544623.db2.gz MCENPSNYYUAMID-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568044493 1064615606 /nfs/dbraw/zinc/61/56/06/1064615606.db2.gz YOFYWVZHJQRCJT-QAPCUYQASA-N 2 1 318.465 2.422 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001568057374 1064623244 /nfs/dbraw/zinc/62/32/44/1064623244.db2.gz SHHUBHNUULZQLM-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001568240769 1064724989 /nfs/dbraw/zinc/72/49/89/1064724989.db2.gz RUFYQDJVRUNCQH-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568483135 1064903730 /nfs/dbraw/zinc/90/37/30/1064903730.db2.gz JOOXSCJQMUUJOS-IXDOHACOSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483135 1064903742 /nfs/dbraw/zinc/90/37/42/1064903742.db2.gz JOOXSCJQMUUJOS-IXDOHACOSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483135 1064903753 /nfs/dbraw/zinc/90/37/53/1064903753.db2.gz JOOXSCJQMUUJOS-IXDOHACOSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926072 /nfs/dbraw/zinc/92/60/72/1064926072.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926082 /nfs/dbraw/zinc/92/60/82/1064926082.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001568513431 1064926091 /nfs/dbraw/zinc/92/60/91/1064926091.db2.gz LFQDKXKGNAUDQM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001495698010 1065059786 /nfs/dbraw/zinc/05/97/86/1065059786.db2.gz XQWLWAOJGLAEQS-DZGCQCFKSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001569518695 1065563294 /nfs/dbraw/zinc/56/32/94/1065563294.db2.gz KVJIVJWPEGHKAA-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001569550290 1065587593 /nfs/dbraw/zinc/58/75/93/1065587593.db2.gz VLFKFRNQWMTUON-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001496703903 1065659406 /nfs/dbraw/zinc/65/94/06/1065659406.db2.gz GNLMMMCLEZSGEV-UHFFFAOYSA-N 2 1 300.406 2.223 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001496867963 1065764225 /nfs/dbraw/zinc/76/42/25/1065764225.db2.gz MNDQFRWLGIWOBL-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001496867963 1065764234 /nfs/dbraw/zinc/76/42/34/1065764234.db2.gz MNDQFRWLGIWOBL-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001496867963 1065764247 /nfs/dbraw/zinc/76/42/47/1065764247.db2.gz MNDQFRWLGIWOBL-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001496869324 1065767028 /nfs/dbraw/zinc/76/70/28/1065767028.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001496869324 1065767033 /nfs/dbraw/zinc/76/70/33/1065767033.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001496869324 1065767038 /nfs/dbraw/zinc/76/70/38/1065767038.db2.gz PQEVOVVSILSPEH-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570003549 1065875372 /nfs/dbraw/zinc/87/53/72/1065875372.db2.gz ALSSKHLVWAHPCI-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001570504857 1066099871 /nfs/dbraw/zinc/09/98/71/1066099871.db2.gz XGUJOSLLBAOFJF-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570504857 1066099877 /nfs/dbraw/zinc/09/98/77/1066099877.db2.gz XGUJOSLLBAOFJF-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570504857 1066099886 /nfs/dbraw/zinc/09/98/86/1066099886.db2.gz XGUJOSLLBAOFJF-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001499370847 1067199141 /nfs/dbraw/zinc/19/91/41/1067199141.db2.gz CQRALZBSTIFYTK-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001499576266 1067264766 /nfs/dbraw/zinc/26/47/66/1067264766.db2.gz ILPADROCKPNZMF-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001499702818 1067304248 /nfs/dbraw/zinc/30/42/48/1067304248.db2.gz KKWSOSRYFSURGM-OAHLLOKOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001499737284 1067314190 /nfs/dbraw/zinc/31/41/90/1067314190.db2.gz JIDABTNIKFJYMM-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1cccc(C2([NH2+]Cc3ccc(N4CC[NH2+]CC4)o3)CC2)c1 ZINC001580076110 1067490632 /nfs/dbraw/zinc/49/06/32/1067490632.db2.gz OPNGTZBKOFYXNT-UHFFFAOYSA-N 2 1 322.412 2.340 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001570796077 1068119798 /nfs/dbraw/zinc/11/97/98/1068119798.db2.gz CVSOECGRQFKDTA-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001329229867 1148876568 /nfs/dbraw/zinc/87/65/68/1148876568.db2.gz CIDYMIBUAQPNKK-ADKAHSJRSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@H]12 ZINC001571504867 1068364643 /nfs/dbraw/zinc/36/46/43/1068364643.db2.gz JQIWSPCWVNVWLP-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001571504867 1068364656 /nfs/dbraw/zinc/36/46/56/1068364656.db2.gz JQIWSPCWVNVWLP-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001571504867 1068364668 /nfs/dbraw/zinc/36/46/68/1068364668.db2.gz JQIWSPCWVNVWLP-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001571670636 1068471517 /nfs/dbraw/zinc/47/15/17/1068471517.db2.gz USINKMBTPNQPKS-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001571694011 1068485530 /nfs/dbraw/zinc/48/55/30/1068485530.db2.gz UFEYBNWMYOWXHF-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC1(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[NH2+]C1 ZINC001574879894 1069283936 /nfs/dbraw/zinc/28/39/36/1069283936.db2.gz KTZIPKVISLTMSP-UHFFFAOYSA-N 2 1 315.461 2.309 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267519633 1078948464 /nfs/dbraw/zinc/94/84/64/1078948464.db2.gz KGWZAEZXBFRYDZ-IAGOWNOFSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329290808 1148881504 /nfs/dbraw/zinc/88/15/04/1148881504.db2.gz QDDSOLUUCPRXGL-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001483740687 1078974038 /nfs/dbraw/zinc/97/40/38/1078974038.db2.gz OCLJYCBDDQEXLV-INIZCTEOSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267556867 1078989333 /nfs/dbraw/zinc/98/93/33/1078989333.db2.gz VUBBAADFZWYORQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267556867 1078989339 /nfs/dbraw/zinc/98/93/39/1078989339.db2.gz VUBBAADFZWYORQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267556867 1078989343 /nfs/dbraw/zinc/98/93/43/1078989343.db2.gz VUBBAADFZWYORQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267590019 1079100682 /nfs/dbraw/zinc/10/06/82/1079100682.db2.gz ORVAXOUNLKSIFZ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590019 1079100688 /nfs/dbraw/zinc/10/06/88/1079100688.db2.gz ORVAXOUNLKSIFZ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590019 1079100696 /nfs/dbraw/zinc/10/06/96/1079100696.db2.gz ORVAXOUNLKSIFZ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267599421 1079124633 /nfs/dbraw/zinc/12/46/33/1079124633.db2.gz OMSIQKQFEJFELS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001267599421 1079124639 /nfs/dbraw/zinc/12/46/39/1079124639.db2.gz OMSIQKQFEJFELS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001267599421 1079124645 /nfs/dbraw/zinc/12/46/45/1079124645.db2.gz OMSIQKQFEJFELS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001481061371 1079141514 /nfs/dbraw/zinc/14/15/14/1079141514.db2.gz VXFPNHRBPIEOGG-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481099750 1079182415 /nfs/dbraw/zinc/18/24/15/1079182415.db2.gz SDPQHGFYOHRBKT-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481099750 1079182421 /nfs/dbraw/zinc/18/24/21/1079182421.db2.gz SDPQHGFYOHRBKT-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481099750 1079182425 /nfs/dbraw/zinc/18/24/25/1079182425.db2.gz SDPQHGFYOHRBKT-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100510 1079183812 /nfs/dbraw/zinc/18/38/12/1079183812.db2.gz RXFOVPRERCTUQD-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001481136369 1079243796 /nfs/dbraw/zinc/24/37/96/1079243796.db2.gz BGNHKZQGUWMQAQ-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484122045 1079312669 /nfs/dbraw/zinc/31/26/69/1079312669.db2.gz OSXIDLOQXYOBHZ-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001566743690 1074997652 /nfs/dbraw/zinc/99/76/52/1074997652.db2.gz PPBJJSHZDFZNIY-ROUUACIJSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012710 1075217049 /nfs/dbraw/zinc/21/70/49/1075217049.db2.gz PZTKEDUJONGOEQ-FGTMMUONSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001566623004 1075299130 /nfs/dbraw/zinc/29/91/30/1075299130.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001566623004 1075299135 /nfs/dbraw/zinc/29/91/35/1075299135.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001566623004 1075299138 /nfs/dbraw/zinc/29/91/38/1075299138.db2.gz FMQLYIZYLOEFHK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001566739740 1075330466 /nfs/dbraw/zinc/33/04/66/1075330466.db2.gz IKDNOPRZKUEZQR-FUHWJXTLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566794604 1075347319 /nfs/dbraw/zinc/34/73/19/1075347319.db2.gz IANHHHADZPGELL-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871599 1075369364 /nfs/dbraw/zinc/36/93/64/1075369364.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871599 1075369366 /nfs/dbraw/zinc/36/93/66/1075369366.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871599 1075369369 /nfs/dbraw/zinc/36/93/69/1075369369.db2.gz GRRBBNJUVODAHS-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001566987122 1075409019 /nfs/dbraw/zinc/40/90/19/1075409019.db2.gz LMJZOWKMHRFJAZ-WWDZGPRUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001567137335 1075441899 /nfs/dbraw/zinc/44/18/99/1075441899.db2.gz LGPPILHBJIESIM-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753843 1079454342 /nfs/dbraw/zinc/45/43/42/1079454342.db2.gz OOANATNAGKNFRS-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790621 1079497630 /nfs/dbraw/zinc/49/76/30/1079497630.db2.gz OGFYIOWGGCNICK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267790621 1079497633 /nfs/dbraw/zinc/49/76/33/1079497633.db2.gz OGFYIOWGGCNICK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267831344 1079522121 /nfs/dbraw/zinc/52/21/21/1079522121.db2.gz PJGKOBNMSLRBHM-SJORKVTESA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267971825 1079655382 /nfs/dbraw/zinc/65/53/82/1079655382.db2.gz HXRIWSAMZFGKOD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001267971825 1079655386 /nfs/dbraw/zinc/65/53/86/1079655386.db2.gz HXRIWSAMZFGKOD-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484567901 1079665211 /nfs/dbraw/zinc/66/52/11/1079665211.db2.gz AAXYYZGHLCRNSK-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001484982737 1079895929 /nfs/dbraw/zinc/89/59/29/1079895929.db2.gz TVNZQWLLKAJMHF-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]1C ZINC001484982737 1079895934 /nfs/dbraw/zinc/89/59/34/1079895934.db2.gz TVNZQWLLKAJMHF-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C[C@@H]1C ZINC001484982737 1079895939 /nfs/dbraw/zinc/89/59/39/1079895939.db2.gz TVNZQWLLKAJMHF-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001656225290 1080069183 /nfs/dbraw/zinc/06/91/83/1080069183.db2.gz HGZMLBBITFEZEB-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001268199245 1080187084 /nfs/dbraw/zinc/18/70/84/1080187084.db2.gz GKSNRYKKIYEXDR-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001268226551 1080208230 /nfs/dbraw/zinc/20/82/30/1080208230.db2.gz BJZXZTHTVCZUSN-ROUUACIJSA-N 2 1 315.461 2.043 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268251967 1080230748 /nfs/dbraw/zinc/23/07/48/1080230748.db2.gz SKRMJXSYZNSRKH-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268251967 1080230753 /nfs/dbraw/zinc/23/07/53/1080230753.db2.gz SKRMJXSYZNSRKH-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581921 1080361849 /nfs/dbraw/zinc/36/18/49/1080361849.db2.gz ROSWGQWORKUTRO-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001660581921 1080361854 /nfs/dbraw/zinc/36/18/54/1080361854.db2.gz ROSWGQWORKUTRO-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001660859070 1080409355 /nfs/dbraw/zinc/40/93/55/1080409355.db2.gz DDNJQWPDCZYNTH-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001661215799 1080456997 /nfs/dbraw/zinc/45/69/97/1080456997.db2.gz CNCPKNKVSIVVJO-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001661215799 1080457003 /nfs/dbraw/zinc/45/70/03/1080457003.db2.gz CNCPKNKVSIVVJO-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783640 1080502450 /nfs/dbraw/zinc/50/24/50/1080502450.db2.gz YDNCGANOKUOVLL-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783640 1080502456 /nfs/dbraw/zinc/50/24/56/1080502456.db2.gz YDNCGANOKUOVLL-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001481880851 1080571378 /nfs/dbraw/zinc/57/13/78/1080571378.db2.gz HXAKIUAMUFVUOI-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001482019547 1080694420 /nfs/dbraw/zinc/69/44/20/1080694420.db2.gz MGZCISGULDLVJP-WKILWMFISA-N 2 1 304.438 2.175 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664597673 1080930517 /nfs/dbraw/zinc/93/05/17/1080930517.db2.gz BZCIAWKTJNCHQP-ZWKOTPCHSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747778 1080966581 /nfs/dbraw/zinc/96/65/81/1080966581.db2.gz UKQRYXPFYQHZAA-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001664876285 1080975234 /nfs/dbraw/zinc/97/52/34/1080975234.db2.gz QDADEBSQUTUHJQ-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001664876285 1080975238 /nfs/dbraw/zinc/97/52/38/1080975238.db2.gz QDADEBSQUTUHJQ-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001664876285 1080975242 /nfs/dbraw/zinc/97/52/42/1080975242.db2.gz QDADEBSQUTUHJQ-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737137 1081073090 /nfs/dbraw/zinc/07/30/90/1081073090.db2.gz GZQFQDGFVSAFIC-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269025892 1081089858 /nfs/dbraw/zinc/08/98/58/1081089858.db2.gz KDOYKOPEUBESJD-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001665952287 1081101709 /nfs/dbraw/zinc/10/17/09/1081101709.db2.gz VIDBKCFURASYFF-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001667029064 1081203315 /nfs/dbraw/zinc/20/33/15/1081203315.db2.gz PRHRFDYVDJFFQQ-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584856 1081265835 /nfs/dbraw/zinc/26/58/35/1081265835.db2.gz IFOYWOCAODMSMT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584856 1081265838 /nfs/dbraw/zinc/26/58/38/1081265838.db2.gz IFOYWOCAODMSMT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584856 1081265840 /nfs/dbraw/zinc/26/58/40/1081265840.db2.gz IFOYWOCAODMSMT-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950089896 1081268133 /nfs/dbraw/zinc/26/81/33/1081268133.db2.gz PWSXRXPRWNZMHG-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667695091 1081275412 /nfs/dbraw/zinc/27/54/12/1081275412.db2.gz UUPGJQMJZVRROJ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001269553276 1081287524 /nfs/dbraw/zinc/28/75/24/1081287524.db2.gz QAXDCGLROHXNMY-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001269553276 1081287530 /nfs/dbraw/zinc/28/75/30/1081287530.db2.gz QAXDCGLROHXNMY-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001269553276 1081287533 /nfs/dbraw/zinc/28/75/33/1081287533.db2.gz QAXDCGLROHXNMY-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001269554247 1081288788 /nfs/dbraw/zinc/28/87/88/1081288788.db2.gz SXSZQDNPUYFDRP-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001269574965 1081295249 /nfs/dbraw/zinc/29/52/49/1081295249.db2.gz IFPBCNYLNDNBFE-ALOPSCKCSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001269611517 1081309664 /nfs/dbraw/zinc/30/96/64/1081309664.db2.gz LBODGRNOIAQXIO-GOSISDBHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950500670 1081354278 /nfs/dbraw/zinc/35/42/78/1081354278.db2.gz HZEBDAZCYKTVJG-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001280095592 1081393190 /nfs/dbraw/zinc/39/31/90/1081393190.db2.gz RDAJRRAMHPYWEB-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001270024771 1081430209 /nfs/dbraw/zinc/43/02/09/1081430209.db2.gz JVVMDKXEVTYINX-BRSBDYLESA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001270066421 1081441417 /nfs/dbraw/zinc/44/14/17/1081441417.db2.gz KFQPWINDAMKORB-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001626755362 1081828905 /nfs/dbraw/zinc/82/89/05/1081828905.db2.gz XAKUNSRQTRDNNZ-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001674135834 1081843120 /nfs/dbraw/zinc/84/31/20/1081843120.db2.gz SFCKTTNPCRIZSA-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001279137829 1081867330 /nfs/dbraw/zinc/86/73/30/1081867330.db2.gz ZOZYXSUYAFJVRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCC[NH+]1CCCC1 ZINC001266247506 1081915500 /nfs/dbraw/zinc/91/55/00/1081915500.db2.gz NAKFMORQWFSODA-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266545377 1082140587 /nfs/dbraw/zinc/14/05/87/1082140587.db2.gz NSWAFOWLHMCEKN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266752775 1082322379 /nfs/dbraw/zinc/32/23/79/1082322379.db2.gz WRGJPWHWNYGOAX-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001272053796 1082340490 /nfs/dbraw/zinc/34/04/90/1082340490.db2.gz OTWCVMSSHMTVAP-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053796 1082340498 /nfs/dbraw/zinc/34/04/98/1082340498.db2.gz OTWCVMSSHMTVAP-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053796 1082340503 /nfs/dbraw/zinc/34/05/03/1082340503.db2.gz OTWCVMSSHMTVAP-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266845306 1082387697 /nfs/dbraw/zinc/38/76/97/1082387697.db2.gz WAUQCNUWJZEFAQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266845306 1082387705 /nfs/dbraw/zinc/38/77/05/1082387705.db2.gz WAUQCNUWJZEFAQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266845306 1082387709 /nfs/dbraw/zinc/38/77/09/1082387709.db2.gz WAUQCNUWJZEFAQ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661287 1082441167 /nfs/dbraw/zinc/44/11/67/1082441167.db2.gz DFHLAWRXTZOFIV-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661287 1082441168 /nfs/dbraw/zinc/44/11/68/1082441168.db2.gz DFHLAWRXTZOFIV-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001482661287 1082441172 /nfs/dbraw/zinc/44/11/72/1082441172.db2.gz DFHLAWRXTZOFIV-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052408 /nfs/dbraw/zinc/05/24/08/1083052408.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052413 /nfs/dbraw/zinc/05/24/13/1083052413.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCCCCC)CC[C@H]21 ZINC001496862296 1083052417 /nfs/dbraw/zinc/05/24/17/1083052417.db2.gz IWPVJWOHCWAXQI-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547421 1083476508 /nfs/dbraw/zinc/47/65/08/1083476508.db2.gz MKLKHTWBSAIKJE-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277382313 1083936379 /nfs/dbraw/zinc/93/63/79/1083936379.db2.gz JWVGLXJDUBHWSG-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001490945283 1083967364 /nfs/dbraw/zinc/96/73/64/1083967364.db2.gz CZAAKIRDNDLLGN-KZNAEPCWSA-N 2 1 315.461 2.492 20 30 DEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001670924371 1084147531 /nfs/dbraw/zinc/14/75/31/1084147531.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924371 1084147533 /nfs/dbraw/zinc/14/75/33/1084147533.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924371 1084147535 /nfs/dbraw/zinc/14/75/35/1084147535.db2.gz XELXSEPMTYFYCZ-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001491225819 1084168412 /nfs/dbraw/zinc/16/84/12/1084168412.db2.gz JCSNWLUXXYHYGK-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272887542 1084430168 /nfs/dbraw/zinc/43/01/68/1084430168.db2.gz GNBIAYRVLWJDNF-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235511806 1084451718 /nfs/dbraw/zinc/45/17/18/1084451718.db2.gz HABIOQMGSMSZOJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235511806 1084451723 /nfs/dbraw/zinc/45/17/23/1084451723.db2.gz HABIOQMGSMSZOJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235511806 1084451729 /nfs/dbraw/zinc/45/17/29/1084451729.db2.gz HABIOQMGSMSZOJ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494135447 1085135197 /nfs/dbraw/zinc/13/51/97/1085135197.db2.gz PZNNTMSGQKPIQE-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135447 1085135201 /nfs/dbraw/zinc/13/52/01/1085135201.db2.gz PZNNTMSGQKPIQE-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135447 1085135207 /nfs/dbraw/zinc/13/52/07/1085135207.db2.gz PZNNTMSGQKPIQE-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000960275851 1085177419 /nfs/dbraw/zinc/17/74/19/1085177419.db2.gz OWVSBUQZLVQZCB-KZNAEPCWSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001486376479 1085248313 /nfs/dbraw/zinc/24/83/13/1085248313.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001486376479 1085248321 /nfs/dbraw/zinc/24/83/21/1085248321.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001486376479 1085248326 /nfs/dbraw/zinc/24/83/26/1085248326.db2.gz FSMNFOFGJWVEBK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933251 1085700774 /nfs/dbraw/zinc/70/07/74/1085700774.db2.gz VPYKDNAZPGFBGJ-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957278428 1088139430 /nfs/dbraw/zinc/13/94/30/1088139430.db2.gz JPRAAKJKNWQIGM-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001079805101 1088428724 /nfs/dbraw/zinc/42/87/24/1088428724.db2.gz JAFMQSNCNDYEJX-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079805101 1088428732 /nfs/dbraw/zinc/42/87/32/1088428732.db2.gz JAFMQSNCNDYEJX-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001079805101 1088428736 /nfs/dbraw/zinc/42/87/36/1088428736.db2.gz JAFMQSNCNDYEJX-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558901 1089060694 /nfs/dbraw/zinc/06/06/94/1089060694.db2.gz KHOZCVOGFICEFT-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001082942018 1090109979 /nfs/dbraw/zinc/10/99/79/1090109979.db2.gz ZEPGNNBMZUHIIG-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001274344921 1091195638 /nfs/dbraw/zinc/19/56/38/1091195638.db2.gz IJWKRXJXXFVENB-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274369462 1091211240 /nfs/dbraw/zinc/21/12/40/1091211240.db2.gz QMNDMMPBUACVBW-IWAYRVGRSA-N 2 1 311.445 2.037 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001274398422 1091224097 /nfs/dbraw/zinc/22/40/97/1091224097.db2.gz NQAOGAWAEDCNDT-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674451 1091877302 /nfs/dbraw/zinc/87/73/02/1091877302.db2.gz XXIVAEORTRURDX-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001275580903 1091884561 /nfs/dbraw/zinc/88/45/61/1091884561.db2.gz UGYFYGKAMNYROB-CVEARBPZSA-N 2 1 303.450 2.177 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001275580903 1091884568 /nfs/dbraw/zinc/88/45/68/1091884568.db2.gz UGYFYGKAMNYROB-CVEARBPZSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001273554513 1091921684 /nfs/dbraw/zinc/92/16/84/1091921684.db2.gz WZOOOAIYEYZIHB-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766416 1091922531 /nfs/dbraw/zinc/92/25/31/1091922531.db2.gz JZEVTWCDTDXENV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948766416 1091922537 /nfs/dbraw/zinc/92/25/37/1091922537.db2.gz JZEVTWCDTDXENV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766417 1091923207 /nfs/dbraw/zinc/92/32/07/1091923207.db2.gz JZEVTWCDTDXENV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948766417 1091923202 /nfs/dbraw/zinc/92/32/02/1091923202.db2.gz JZEVTWCDTDXENV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001275829333 1092191978 /nfs/dbraw/zinc/19/19/78/1092191978.db2.gz WWCHGHXSUMYCIF-UHFFFAOYSA-N 2 1 321.428 2.379 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001490348735 1093295755 /nfs/dbraw/zinc/29/57/55/1093295755.db2.gz HCIOFQPATAXARJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001490348735 1093295762 /nfs/dbraw/zinc/29/57/62/1093295762.db2.gz HCIOFQPATAXARJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001490348735 1093295766 /nfs/dbraw/zinc/29/57/66/1093295766.db2.gz HCIOFQPATAXARJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CCCCCCCCNC(=O)NCCC[N@@H+](C)CCC[NH3+] ZINC001239231557 1139001088 /nfs/dbraw/zinc/00/10/88/1139001088.db2.gz QIHYIBAPHVLHBN-UHFFFAOYSA-N 2 1 300.491 2.317 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482849 1140346393 /nfs/dbraw/zinc/34/63/93/1140346393.db2.gz MTBXCASRINKQSO-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001318635693 1140377187 /nfs/dbraw/zinc/37/71/87/1140377187.db2.gz CXQKGMHSTGNOLH-UHFFFAOYSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001319027213 1140493285 /nfs/dbraw/zinc/49/32/85/1140493285.db2.gz LKOYOXJUVCBUGZ-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889347 1140537295 /nfs/dbraw/zinc/53/72/95/1140537295.db2.gz NWGUNBCDOFBIHJ-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001319659892 1140648046 /nfs/dbraw/zinc/64/80/46/1140648046.db2.gz OPABEXYZHWIJSF-NVXWUHKLSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001320451643 1140867471 /nfs/dbraw/zinc/86/74/71/1140867471.db2.gz ZATDQKYFGYNLBG-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001320451643 1140867472 /nfs/dbraw/zinc/86/74/72/1140867472.db2.gz ZATDQKYFGYNLBG-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC001246235962 1140876216 /nfs/dbraw/zinc/87/62/16/1140876216.db2.gz DIZRIIMJRVKZKA-UUCFBXCCSA-N 2 1 309.454 2.498 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278438811 1140877476 /nfs/dbraw/zinc/87/74/76/1140877476.db2.gz XRAXVTPZBYTNII-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246527369 1140935065 /nfs/dbraw/zinc/93/50/65/1140935065.db2.gz TUOBRGWLENVIRQ-MRXNPFEDSA-N 2 1 321.465 2.239 20 30 DEEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC001246527369 1140935080 /nfs/dbraw/zinc/93/50/80/1140935080.db2.gz TUOBRGWLENVIRQ-MRXNPFEDSA-N 2 1 321.465 2.239 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001323520166 1141861523 /nfs/dbraw/zinc/86/15/23/1141861523.db2.gz SFSXWSRORZMTII-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324285815 1142048097 /nfs/dbraw/zinc/04/80/97/1142048097.db2.gz LUDMFCLCDDKPOI-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324620141 1142157054 /nfs/dbraw/zinc/15/70/54/1142157054.db2.gz PYOPYHIPYXXDTB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324620141 1142157062 /nfs/dbraw/zinc/15/70/62/1142157062.db2.gz PYOPYHIPYXXDTB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324620141 1142157075 /nfs/dbraw/zinc/15/70/75/1142157075.db2.gz PYOPYHIPYXXDTB-SJLPKXTDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001278627296 1142374965 /nfs/dbraw/zinc/37/49/65/1142374965.db2.gz OGEJPJVLMLPNDH-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001252886046 1142827583 /nfs/dbraw/zinc/82/75/83/1142827583.db2.gz QCLYTKLOCKTHNL-UHFFFAOYSA-N 2 1 303.425 2.471 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278685530 1142827737 /nfs/dbraw/zinc/82/77/37/1142827737.db2.gz AEYGEHCOSLVGPU-SJLPKXTDSA-N 2 1 309.498 2.367 20 30 DEEDMP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001253395836 1142868286 /nfs/dbraw/zinc/86/82/86/1142868286.db2.gz NBMUXYJRXBGIFY-GOSISDBHSA-N 2 1 315.461 2.487 20 30 DEEDMP C=C[C@@H](O)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001253578133 1142882073 /nfs/dbraw/zinc/88/20/73/1142882073.db2.gz WDISGYMNFSYDOT-GOSISDBHSA-N 2 1 315.461 2.305 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254522563 1143201055 /nfs/dbraw/zinc/20/10/55/1143201055.db2.gz ORXHYADGVPGDBK-FGTMMUONSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254522563 1143201094 /nfs/dbraw/zinc/20/10/94/1143201094.db2.gz ORXHYADGVPGDBK-FGTMMUONSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254522563 1143201121 /nfs/dbraw/zinc/20/11/21/1143201121.db2.gz ORXHYADGVPGDBK-FGTMMUONSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001340149031 1143279212 /nfs/dbraw/zinc/27/92/12/1143279212.db2.gz BLCRLLKWRTYSJM-GOSISDBHSA-N 2 1 315.461 2.057 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001265197552 1144664730 /nfs/dbraw/zinc/66/47/30/1144664730.db2.gz UMNLTNLAAYGWGC-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266070548 1144802701 /nfs/dbraw/zinc/80/27/01/1144802701.db2.gz CJFUPOBCGSKHNW-JKSUJKDBSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585847 1144825367 /nfs/dbraw/zinc/82/53/67/1144825367.db2.gz DJFDENMWNCQRLS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001280499386 1144842859 /nfs/dbraw/zinc/84/28/59/1144842859.db2.gz CVTWOXNHPNEOBH-QGZVFWFLSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001282295043 1145030599 /nfs/dbraw/zinc/03/05/99/1145030599.db2.gz MLCLKCRZADASMX-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001282616562 1145099092 /nfs/dbraw/zinc/09/90/92/1145099092.db2.gz XMGYCNYCZVNFAT-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001282960075 1145214503 /nfs/dbraw/zinc/21/45/03/1145214503.db2.gz XRXNJSNUNSHQAZ-KSZLIROESA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001283316727 1145359072 /nfs/dbraw/zinc/35/90/72/1145359072.db2.gz GPGLCKVTYKBWCA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001283316727 1145359080 /nfs/dbraw/zinc/35/90/80/1145359080.db2.gz GPGLCKVTYKBWCA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001283316727 1145359085 /nfs/dbraw/zinc/35/90/85/1145359085.db2.gz GPGLCKVTYKBWCA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001283332328 1145365938 /nfs/dbraw/zinc/36/59/38/1145365938.db2.gz XMJTTXCYCDNEOM-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001283332328 1145365943 /nfs/dbraw/zinc/36/59/43/1145365943.db2.gz XMJTTXCYCDNEOM-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001283332328 1145365947 /nfs/dbraw/zinc/36/59/47/1145365947.db2.gz XMJTTXCYCDNEOM-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001284620155 1145880431 /nfs/dbraw/zinc/88/04/31/1145880431.db2.gz XPTMOPXEDQKINP-DLBZAZTESA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001284654317 1145884657 /nfs/dbraw/zinc/88/46/57/1145884657.db2.gz XWNUUDFGSXSQQY-OAHLLOKOSA-N 2 1 306.454 2.278 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491857455 1146923013 /nfs/dbraw/zinc/92/30/13/1146923013.db2.gz SLMUPSGFIUPJEA-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491958425 1147019526 /nfs/dbraw/zinc/01/95/26/1147019526.db2.gz DCFYWTFVHSVJSP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001491958425 1147019533 /nfs/dbraw/zinc/01/95/33/1147019533.db2.gz DCFYWTFVHSVJSP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958425 1147019538 /nfs/dbraw/zinc/01/95/38/1147019538.db2.gz DCFYWTFVHSVJSP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001491958425 1147019544 /nfs/dbraw/zinc/01/95/44/1147019544.db2.gz DCFYWTFVHSVJSP-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492154732 1147101971 /nfs/dbraw/zinc/10/19/71/1147101971.db2.gz SKJHYUSSQKZYMJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001492154732 1147101977 /nfs/dbraw/zinc/10/19/77/1147101977.db2.gz SKJHYUSSQKZYMJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001492154732 1147101980 /nfs/dbraw/zinc/10/19/80/1147101980.db2.gz SKJHYUSSQKZYMJ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234748 1147144670 /nfs/dbraw/zinc/14/46/70/1147144670.db2.gz XTKKNNFQFBPWGC-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001366460800 1147294399 /nfs/dbraw/zinc/29/43/99/1147294399.db2.gz MSKRZOHCQLVIRX-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316707772 1147372786 /nfs/dbraw/zinc/37/27/86/1147372786.db2.gz GDCFAVSGZHMWNC-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001316937924 1147573910 /nfs/dbraw/zinc/57/39/10/1147573910.db2.gz ROGDMJQSDPJVCY-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317064510 1147655243 /nfs/dbraw/zinc/65/52/43/1147655243.db2.gz RWZXJIOGYSRMDM-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367227012 1147666324 /nfs/dbraw/zinc/66/63/24/1147666324.db2.gz FTDXBOQEKWDQJU-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317179863 1147672307 /nfs/dbraw/zinc/67/23/07/1147672307.db2.gz YFOOGKJUACAACZ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317179863 1147672309 /nfs/dbraw/zinc/67/23/09/1147672309.db2.gz YFOOGKJUACAACZ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317179863 1147672310 /nfs/dbraw/zinc/67/23/10/1147672310.db2.gz YFOOGKJUACAACZ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001317186989 1147673129 /nfs/dbraw/zinc/67/31/29/1147673129.db2.gz CHWMFAYSCVWPFT-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317342100 1147693292 /nfs/dbraw/zinc/69/32/92/1147693292.db2.gz FNXDNSGRYVBVDC-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001317513587 1147718432 /nfs/dbraw/zinc/71/84/32/1147718432.db2.gz MVBSMDCZPBXTRF-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317525985 1147720245 /nfs/dbraw/zinc/72/02/45/1147720245.db2.gz DGLRWDRPMXEPDZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317525985 1147720246 /nfs/dbraw/zinc/72/02/46/1147720246.db2.gz DGLRWDRPMXEPDZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001317525985 1147720247 /nfs/dbraw/zinc/72/02/47/1147720247.db2.gz DGLRWDRPMXEPDZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317771235 1147750975 /nfs/dbraw/zinc/75/09/75/1147750975.db2.gz XYBQOOBBOVXZBD-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317771235 1147750977 /nfs/dbraw/zinc/75/09/77/1147750977.db2.gz XYBQOOBBOVXZBD-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001325778778 1147998900 /nfs/dbraw/zinc/99/89/00/1147998900.db2.gz LYWQMIVHZWGQAD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325778778 1147998903 /nfs/dbraw/zinc/99/89/03/1147998903.db2.gz LYWQMIVHZWGQAD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001325778778 1147998906 /nfs/dbraw/zinc/99/89/06/1147998906.db2.gz LYWQMIVHZWGQAD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326603292 1148159215 /nfs/dbraw/zinc/15/92/15/1148159215.db2.gz KEHFCAGTSZTIPL-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001368123394 1148254162 /nfs/dbraw/zinc/25/41/62/1148254162.db2.gz OJSZWLGDZVJWEU-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189978291 186257713 /nfs/dbraw/zinc/25/77/13/186257713.db2.gz OXVVRPOXYOWSSB-MRXNPFEDSA-N 2 1 300.450 2.189 20 30 DEEDMP CCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000104155162 283309353 /nfs/dbraw/zinc/30/93/53/283309353.db2.gz XREWHDGLPAWDEL-HNNXBMFYSA-N 2 1 304.438 2.146 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000602595871 360449069 /nfs/dbraw/zinc/44/90/69/360449069.db2.gz FKKASSPWPJQINC-MAUKXSAKSA-N 2 1 301.434 2.283 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289384997 285251053 /nfs/dbraw/zinc/25/10/53/285251053.db2.gz CZUICOKHMSCZEO-LJQANCHMSA-N 2 1 314.477 2.406 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000152383037 402093756 /nfs/dbraw/zinc/09/37/56/402093756.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP C[NH+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000152383037 402093758 /nfs/dbraw/zinc/09/37/58/402093758.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP C[NH+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000152383037 402093761 /nfs/dbraw/zinc/09/37/61/402093761.db2.gz DBPDAAUMCRSEBI-ZDUSSCGKSA-N 2 1 320.462 2.222 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1C[C@H]1C ZINC000103911931 402194185 /nfs/dbraw/zinc/19/41/85/402194185.db2.gz NSGWWZGYTHWODS-MCIONIFRSA-N 2 1 306.479 2.458 20 30 DEEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104181278 402199395 /nfs/dbraw/zinc/19/93/95/402199395.db2.gz GZOYUVXKFJNKLQ-UHFFFAOYSA-N 2 1 304.316 2.264 20 30 DEEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104181278 402199398 /nfs/dbraw/zinc/19/93/98/402199398.db2.gz GZOYUVXKFJNKLQ-UHFFFAOYSA-N 2 1 304.316 2.264 20 30 DEEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160696512 402357238 /nfs/dbraw/zinc/35/72/38/402357238.db2.gz AWRYZTYYNFTXQE-UHFFFAOYSA-N 2 1 304.316 2.264 20 30 DEEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160696512 402357239 /nfs/dbraw/zinc/35/72/39/402357239.db2.gz AWRYZTYYNFTXQE-UHFFFAOYSA-N 2 1 304.316 2.264 20 30 DEEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000178421912 402496681 /nfs/dbraw/zinc/49/66/81/402496681.db2.gz KBYGOWYAAMKUEZ-UHFFFAOYSA-N 2 1 318.465 2.260 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000170912041 402540698 /nfs/dbraw/zinc/54/06/98/402540698.db2.gz VAPNWWNXKXDCHK-HNNXBMFYSA-N 2 1 318.465 2.220 20 30 DEEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000273347892 402996451 /nfs/dbraw/zinc/99/64/51/402996451.db2.gz PEVSJFDCYHNDBU-CYBMUJFWSA-N 2 1 306.479 2.369 20 30 DEEDMP COc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)cc1 ZINC000273390100 403000288 /nfs/dbraw/zinc/00/02/88/403000288.db2.gz ZUXIQFMRXIOMSV-QGZVFWFLSA-N 2 1 316.449 2.241 20 30 DEEDMP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274686684 403078319 /nfs/dbraw/zinc/07/83/19/403078319.db2.gz YQUMHPMEXSQIDY-QGZVFWFLSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000274686684 403078322 /nfs/dbraw/zinc/07/83/22/403078322.db2.gz YQUMHPMEXSQIDY-QGZVFWFLSA-N 2 1 301.434 2.056 20 30 DEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657986 403103702 /nfs/dbraw/zinc/10/37/02/403103702.db2.gz HSXQNKHSZIPBJS-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657986 403103704 /nfs/dbraw/zinc/10/37/04/403103704.db2.gz HSXQNKHSZIPBJS-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657986 403103707 /nfs/dbraw/zinc/10/37/07/403103707.db2.gz HSXQNKHSZIPBJS-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657986 403103709 /nfs/dbraw/zinc/10/37/09/403103709.db2.gz HSXQNKHSZIPBJS-AEFFLSMTSA-N 2 1 301.434 2.255 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000269476992 403142320 /nfs/dbraw/zinc/14/23/20/403142320.db2.gz VTGMMZBJAYLDOX-OAHLLOKOSA-N 2 1 306.454 2.313 20 30 DEEDMP C[C@@H](CCC#N)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000298636811 403429348 /nfs/dbraw/zinc/42/93/48/403429348.db2.gz WKIJFJMYRWMPTA-SFHVURJKSA-N 2 1 314.477 2.428 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078366 403822999 /nfs/dbraw/zinc/82/29/99/403822999.db2.gz LRPZBYHYRRFFKB-JZXOWHBKSA-N 2 1 310.482 2.135 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351850885 403960437 /nfs/dbraw/zinc/96/04/37/403960437.db2.gz KFBDEGSEDWEKRO-QLFBSQMISA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351850885 403960442 /nfs/dbraw/zinc/96/04/42/403960442.db2.gz KFBDEGSEDWEKRO-QLFBSQMISA-N 2 1 321.490 2.320 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000328097031 404105573 /nfs/dbraw/zinc/10/55/73/404105573.db2.gz JYPVPVFXVDSZMR-INIZCTEOSA-N 2 1 323.481 2.321 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000328097031 404105578 /nfs/dbraw/zinc/10/55/78/404105578.db2.gz JYPVPVFXVDSZMR-INIZCTEOSA-N 2 1 323.481 2.321 20 30 DEEDMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@@H](C)Cn1ccnc1)CC2 ZINC000329780887 404451572 /nfs/dbraw/zinc/45/15/72/404451572.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 1 319.453 2.133 20 30 DEEDMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C([O-])=[NH+][C@@H](C)Cn1ccnc1)CC2 ZINC000329780887 404451576 /nfs/dbraw/zinc/45/15/76/404451576.db2.gz SEKBGKORIGJFHQ-XHSDSOJGSA-N 2 1 319.453 2.133 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000375886584 404765901 /nfs/dbraw/zinc/76/59/01/404765901.db2.gz AEXOHVNNGXTVDE-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000375886584 404765906 /nfs/dbraw/zinc/76/59/06/404765906.db2.gz AEXOHVNNGXTVDE-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414690584 404709452 /nfs/dbraw/zinc/70/94/52/404709452.db2.gz HTYBDFTZQDRQLN-KRWDZBQOSA-N 2 1 307.482 2.252 20 30 DEEDMP CN(C)C(=[NH+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000366821880 404852717 /nfs/dbraw/zinc/85/27/17/404852717.db2.gz PXLTXGHJDSBDGQ-GOSISDBHSA-N 2 1 302.466 2.378 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451525048 405010403 /nfs/dbraw/zinc/01/04/03/405010403.db2.gz FGPZKUIGYHGISN-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525048 405010406 /nfs/dbraw/zinc/01/04/06/405010406.db2.gz FGPZKUIGYHGISN-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525048 405010412 /nfs/dbraw/zinc/01/04/12/405010412.db2.gz FGPZKUIGYHGISN-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525048 405010416 /nfs/dbraw/zinc/01/04/16/405010416.db2.gz FGPZKUIGYHGISN-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525048 405010419 /nfs/dbraw/zinc/01/04/19/405010419.db2.gz FGPZKUIGYHGISN-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000641767388 406887604 /nfs/dbraw/zinc/88/76/04/406887604.db2.gz JWMGUXSJAFFUBX-LJQANCHMSA-N 2 1 300.446 2.057 20 30 DEEDMP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245698594 225221436 /nfs/dbraw/zinc/22/14/36/225221436.db2.gz MYSJQDHVHILSFD-BXUZGUMPSA-N 2 1 312.820 2.348 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680330 225281720 /nfs/dbraw/zinc/28/17/20/225281720.db2.gz VTJHDCQHYCIUJY-IXPVHAAZSA-N 2 1 324.831 2.409 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)N1 ZINC000262676297 225281944 /nfs/dbraw/zinc/28/19/44/225281944.db2.gz UAIUIAVTSIDESI-HLLBOEOZSA-N 2 1 300.450 2.224 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663003 425706766 /nfs/dbraw/zinc/70/67/66/425706766.db2.gz BPPSARUQZOLWKT-IEBWSBKVSA-N 2 1 313.445 2.075 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001424302751 1173749028 /nfs/dbraw/zinc/74/90/28/1173749028.db2.gz DOJOXPOOASFILN-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001424302751 1173749029 /nfs/dbraw/zinc/74/90/29/1173749029.db2.gz DOJOXPOOASFILN-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001424302751 1173749032 /nfs/dbraw/zinc/74/90/32/1173749032.db2.gz DOJOXPOOASFILN-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001424302751 1173749036 /nfs/dbraw/zinc/74/90/36/1173749036.db2.gz DOJOXPOOASFILN-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970997 782090385 /nfs/dbraw/zinc/09/03/85/782090385.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970997 782090393 /nfs/dbraw/zinc/09/03/93/782090393.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970997 782090404 /nfs/dbraw/zinc/09/04/04/782090404.db2.gz XGRGLPDFNHOJDX-FGTMMUONSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001357363126 1152292761 /nfs/dbraw/zinc/29/27/61/1152292761.db2.gz WKVDNPTVIQMNKE-ZWKOTPCHSA-N 2 1 315.461 2.451 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001401078326 1161868214 /nfs/dbraw/zinc/86/82/14/1161868214.db2.gz GECHIPGRQOXPHM-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001402064261 1162233945 /nfs/dbraw/zinc/23/39/45/1162233945.db2.gz ZGPGNYPXLQZBJY-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sccc1C#N ZINC000337219318 522744530 /nfs/dbraw/zinc/74/45/30/522744530.db2.gz CKWPLGMNJYNPJU-UHFFFAOYSA-N 2 1 320.462 2.366 20 30 DEEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264118719 527955567 /nfs/dbraw/zinc/95/55/67/527955567.db2.gz UHEHLWKSCCCYNT-KRWDZBQOSA-N 2 1 302.466 2.111 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114840 529101354 /nfs/dbraw/zinc/10/13/54/529101354.db2.gz SBYHWBQKBNKDOQ-NSHDSACASA-N 2 1 314.886 2.333 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000371331562 535202319 /nfs/dbraw/zinc/20/23/19/535202319.db2.gz IYKNASJFAKVXMV-HNNXBMFYSA-N 2 1 318.490 2.220 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000371331562 535202325 /nfs/dbraw/zinc/20/23/25/535202325.db2.gz IYKNASJFAKVXMV-HNNXBMFYSA-N 2 1 318.490 2.220 20 30 DEEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001327528612 1148580856 /nfs/dbraw/zinc/58/08/56/1148580856.db2.gz BOVKDVINOIJAPU-MJGOQNOKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489416 625294331 /nfs/dbraw/zinc/29/43/31/625294331.db2.gz BPAAWLXHZHQKEF-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559545 625326829 /nfs/dbraw/zinc/32/68/29/625326829.db2.gz ATTZINPGIDADOQ-OAHLLOKOSA-N 2 1 319.449 2.359 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023762225 625428217 /nfs/dbraw/zinc/42/82/17/625428217.db2.gz UQWOFJDKJKQSNF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023762225 625428219 /nfs/dbraw/zinc/42/82/19/625428219.db2.gz UQWOFJDKJKQSNF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947311117 625447174 /nfs/dbraw/zinc/44/71/74/625447174.db2.gz YGFKSEPNIGYPNI-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470508 625465322 /nfs/dbraw/zinc/46/53/22/625465322.db2.gz YKINQCMEEIICOZ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000170907946 625472212 /nfs/dbraw/zinc/47/22/12/625472212.db2.gz BADOWBYHKCMMFH-KRWDZBQOSA-N 2 1 318.465 2.387 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026507138 625488234 /nfs/dbraw/zinc/48/82/34/625488234.db2.gz NSAHXAZMKJRPCT-OFLPRAFFSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118529 622573422 /nfs/dbraw/zinc/57/34/22/622573422.db2.gz RAMKSIFDTBIUNH-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156497 622596701 /nfs/dbraw/zinc/59/67/01/622596701.db2.gz UJJGIYJZRGQLNY-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833091 622942413 /nfs/dbraw/zinc/94/24/13/622942413.db2.gz LPNGSHFCIHHWDU-QAPCUYQASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025602197 625625046 /nfs/dbraw/zinc/62/50/46/625625046.db2.gz ZFZVLHVBJGUNJG-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970717638 623640102 /nfs/dbraw/zinc/64/01/02/623640102.db2.gz FNWSVJZCIFJBIS-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021602440 623814854 /nfs/dbraw/zinc/81/48/54/623814854.db2.gz HMTMOASPBIFVQR-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645753 623894385 /nfs/dbraw/zinc/89/43/85/623894385.db2.gz MNKCULDOYYGCKS-DLBZAZTESA-N 2 1 316.449 2.162 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698881 623981310 /nfs/dbraw/zinc/98/13/10/623981310.db2.gz FEJQXGZLYZKJKF-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022351274 624612049 /nfs/dbraw/zinc/61/20/49/624612049.db2.gz VRXNNJLBZZRGKB-QLFBSQMISA-N 2 1 313.873 2.096 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024737667 625025732 /nfs/dbraw/zinc/02/57/32/625025732.db2.gz LIAAQKIGBSXPMO-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551480 625231990 /nfs/dbraw/zinc/23/19/90/625231990.db2.gz LBMNIVIYTRLIHV-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023363888 625239036 /nfs/dbraw/zinc/23/90/36/625239036.db2.gz DXENGVNAERORBV-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023363888 625239039 /nfs/dbraw/zinc/23/90/39/625239039.db2.gz DXENGVNAERORBV-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818562 625784927 /nfs/dbraw/zinc/78/49/27/625784927.db2.gz ORZYARZXYADDEM-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818562 625784934 /nfs/dbraw/zinc/78/49/34/625784934.db2.gz ORZYARZXYADDEM-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818562 625784945 /nfs/dbraw/zinc/78/49/45/625784945.db2.gz ORZYARZXYADDEM-SFFUCWETSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001024513907 625831140 /nfs/dbraw/zinc/83/11/40/625831140.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001024513907 625831142 /nfs/dbraw/zinc/83/11/42/625831142.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001024513907 625831144 /nfs/dbraw/zinc/83/11/44/625831144.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513907 625831146 /nfs/dbraw/zinc/83/11/46/625831146.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001024513907 625831148 /nfs/dbraw/zinc/83/11/48/625831148.db2.gz ULMXRHZWULUEIO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524247 625837751 /nfs/dbraw/zinc/83/77/51/625837751.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524247 625837756 /nfs/dbraw/zinc/83/77/56/625837756.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524247 625837761 /nfs/dbraw/zinc/83/77/61/625837761.db2.gz UNLKRZBCRDQYQL-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531568 625848858 /nfs/dbraw/zinc/84/88/58/625848858.db2.gz TUIVKNMXWPIGIN-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619887 625937282 /nfs/dbraw/zinc/93/72/82/625937282.db2.gz HDNIYLXISJWUFY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619887 625937284 /nfs/dbraw/zinc/93/72/84/625937284.db2.gz HDNIYLXISJWUFY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619887 625937291 /nfs/dbraw/zinc/93/72/91/625937291.db2.gz HDNIYLXISJWUFY-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000999490493 634619377 /nfs/dbraw/zinc/61/93/77/634619377.db2.gz KBJQXHNNZYLLPR-UHFFFAOYSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995791510 633122628 /nfs/dbraw/zinc/12/26/28/633122628.db2.gz HXKQNYHWPRFBRR-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378069 633250565 /nfs/dbraw/zinc/25/05/65/633250565.db2.gz DFRKXCYJXMIYDW-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP CCOCCC[N@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000735226799 633487247 /nfs/dbraw/zinc/48/72/47/633487247.db2.gz ARRPIIHFFRORAE-QGZVFWFLSA-N 2 1 324.513 2.186 20 30 DEEDMP CCOCCC[N@H+]1CCC(=NNCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000735226798 633487298 /nfs/dbraw/zinc/48/72/98/633487298.db2.gz ARRPIIHFFRORAE-KRWDZBQOSA-N 2 1 324.513 2.186 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997096824 633574185 /nfs/dbraw/zinc/57/41/85/633574185.db2.gz CPLHIGVNJJPPLX-BFYDXBDKSA-N 2 1 307.482 2.119 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000921585314 633736537 /nfs/dbraw/zinc/73/65/37/633736537.db2.gz CKZQGBPGOXARFK-UHFFFAOYSA-N 2 1 301.434 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997420372 633760045 /nfs/dbraw/zinc/76/00/45/633760045.db2.gz HYLGEGWOAKWMNU-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442154 633796311 /nfs/dbraw/zinc/79/63/11/633796311.db2.gz BRQODCFYGLBELI-HUUCEWRRSA-N 2 1 313.873 2.002 20 30 DEEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCSCC1 ZINC000104162946 633796914 /nfs/dbraw/zinc/79/69/14/633796914.db2.gz CWJFHWCDKRDKCB-UHFFFAOYSA-N 2 1 320.506 2.390 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997508515 633817053 /nfs/dbraw/zinc/81/70/53/633817053.db2.gz KIPWFDFJEBJUCB-DZGCQCFKSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997508515 633817063 /nfs/dbraw/zinc/81/70/63/633817063.db2.gz KIPWFDFJEBJUCB-DZGCQCFKSA-N 2 1 313.873 2.050 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214456 633880970 /nfs/dbraw/zinc/88/09/70/633880970.db2.gz DLTKTHFPGOWULY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214456 633880977 /nfs/dbraw/zinc/88/09/77/633880977.db2.gz DLTKTHFPGOWULY-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217250 633882689 /nfs/dbraw/zinc/88/26/89/633882689.db2.gz RIMFOTZLIPBBRQ-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977653273 634081985 /nfs/dbraw/zinc/08/19/85/634081985.db2.gz IIABYVNAMXTZDM-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccc3nccn32)CC1 ZINC000998064381 634129226 /nfs/dbraw/zinc/12/92/26/634129226.db2.gz RXCOBTHRJZFVJS-INIZCTEOSA-N 2 1 324.428 2.284 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602065 634255625 /nfs/dbraw/zinc/25/56/25/634255625.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602065 634255628 /nfs/dbraw/zinc/25/56/28/634255628.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602065 634255632 /nfs/dbraw/zinc/25/56/32/634255632.db2.gz KQGKXKMRRMCICJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602067 634255852 /nfs/dbraw/zinc/25/58/52/634255852.db2.gz KRCCBLYJKWBQCF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978473556 634331630 /nfs/dbraw/zinc/33/16/30/634331630.db2.gz UVYDPMFEBLILEK-NNZMDNLPSA-N 2 1 324.428 2.208 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001000374648 635162861 /nfs/dbraw/zinc/16/28/61/635162861.db2.gz WEKWFGJAIYVKNE-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981147567 635332731 /nfs/dbraw/zinc/33/27/31/635332731.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147567 635332741 /nfs/dbraw/zinc/33/27/41/635332741.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981147567 635332745 /nfs/dbraw/zinc/33/27/45/635332745.db2.gz VFIYEYWOXOHAOM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981330338 635437788 /nfs/dbraw/zinc/43/77/88/635437788.db2.gz DPXQBFPXXGSZHO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000981338790 635443979 /nfs/dbraw/zinc/44/39/79/635443979.db2.gz ZSGUADPYIKIHHB-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001001352799 635471927 /nfs/dbraw/zinc/47/19/27/635471927.db2.gz BCNJCIJZDJQWQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001352799 635471931 /nfs/dbraw/zinc/47/19/31/635471931.db2.gz BCNJCIJZDJQWQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001001352799 635471936 /nfs/dbraw/zinc/47/19/36/635471936.db2.gz BCNJCIJZDJQWQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001426796 635496427 /nfs/dbraw/zinc/49/64/27/635496427.db2.gz XGVDDWKSKQKNER-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001003054820 635894546 /nfs/dbraw/zinc/89/45/46/635894546.db2.gz ATHHEJIFMXDKSQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)(C)C)CC1 ZINC001003054820 635894550 /nfs/dbraw/zinc/89/45/50/635894550.db2.gz ATHHEJIFMXDKSQ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028252129 635960933 /nfs/dbraw/zinc/96/09/33/635960933.db2.gz QWAHIEWPCJRSDC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252129 635960935 /nfs/dbraw/zinc/96/09/35/635960935.db2.gz QWAHIEWPCJRSDC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252129 635960937 /nfs/dbraw/zinc/96/09/37/635960937.db2.gz QWAHIEWPCJRSDC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001028579552 636372083 /nfs/dbraw/zinc/37/20/83/636372083.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579552 636372087 /nfs/dbraw/zinc/37/20/87/636372087.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001028579552 636372091 /nfs/dbraw/zinc/37/20/91/636372091.db2.gz GVXBKDKFHHTEJT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1ccccc1Cl ZINC000073762887 636459713 /nfs/dbraw/zinc/45/97/13/636459713.db2.gz KGHWTCKDCGKEKK-ZDUSSCGKSA-N 2 1 308.857 2.299 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004460731 636460418 /nfs/dbraw/zinc/46/04/18/636460418.db2.gz WEOUVSAKOZEXMF-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594512 636464502 /nfs/dbraw/zinc/46/45/02/636464502.db2.gz HQLPNQVCWCLSNM-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594512 636464508 /nfs/dbraw/zinc/46/45/08/636464508.db2.gz HQLPNQVCWCLSNM-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594512 636464510 /nfs/dbraw/zinc/46/45/10/636464510.db2.gz HQLPNQVCWCLSNM-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594510 636464595 /nfs/dbraw/zinc/46/45/95/636464595.db2.gz HQLPNQVCWCLSNM-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594510 636464596 /nfs/dbraw/zinc/46/45/96/636464596.db2.gz HQLPNQVCWCLSNM-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594510 636464599 /nfs/dbraw/zinc/46/45/99/636464599.db2.gz HQLPNQVCWCLSNM-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004547142 636484844 /nfs/dbraw/zinc/48/48/44/636484844.db2.gz LSZMOAVABCFNAI-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)CC[C@@H]2C1 ZINC000946703555 636571945 /nfs/dbraw/zinc/57/19/45/636571945.db2.gz ADJBZCCGYVSMSW-CALCHBBNSA-N 2 1 316.449 2.020 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005388720 636729739 /nfs/dbraw/zinc/72/97/39/636729739.db2.gz AXDWKZOUZLDJAB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711904 636801972 /nfs/dbraw/zinc/80/19/72/636801972.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711904 636801976 /nfs/dbraw/zinc/80/19/76/636801976.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711904 636801980 /nfs/dbraw/zinc/80/19/80/636801980.db2.gz WTIGNUBTDSGAOM-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358472 637133069 /nfs/dbraw/zinc/13/30/69/637133069.db2.gz HMELWKOEDXBJNZ-GBESFXJTSA-N 2 1 313.445 2.303 20 30 DEEDMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC#Cc3ccccc3)cc2)C1 ZINC000895336493 637941108 /nfs/dbraw/zinc/94/11/08/637941108.db2.gz GSWWPYWSPYBZBN-NRFANRHFSA-N 2 1 320.436 2.395 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC000985696330 639589524 /nfs/dbraw/zinc/58/95/24/639589524.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000985696330 639589528 /nfs/dbraw/zinc/58/95/28/639589528.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC000985696330 639589532 /nfs/dbraw/zinc/58/95/32/639589532.db2.gz JBLGGLPOEBUVJW-AWEZNQCLSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985754309 639617397 /nfs/dbraw/zinc/61/73/97/639617397.db2.gz AXWGLQICSFGOJS-UHFFFAOYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767729 641985574 /nfs/dbraw/zinc/98/55/74/641985574.db2.gz YOKTUTODHXFHPN-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767729 641985576 /nfs/dbraw/zinc/98/55/76/641985576.db2.gz YOKTUTODHXFHPN-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767729 641985581 /nfs/dbraw/zinc/98/55/81/641985581.db2.gz YOKTUTODHXFHPN-ZMMAXQRCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792885 642095440 /nfs/dbraw/zinc/09/54/40/642095440.db2.gz WHIGLMIQJDRRAO-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792885 642095443 /nfs/dbraw/zinc/09/54/43/642095443.db2.gz WHIGLMIQJDRRAO-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792885 642095447 /nfs/dbraw/zinc/09/54/47/642095447.db2.gz WHIGLMIQJDRRAO-KONPQCLYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000900867664 642507682 /nfs/dbraw/zinc/50/76/82/642507682.db2.gz BBXBIFSARPUPFD-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C[C@@H]1CNC(NN=C2CCCC[C@@H]2[N@@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797181 642540099 /nfs/dbraw/zinc/54/00/99/642540099.db2.gz BJUCOIRDHKEEBI-CTASWTNQSA-N 2 1 305.470 2.200 20 30 DEEDMP COCC[NH2+]C1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000903461607 643352887 /nfs/dbraw/zinc/35/28/87/643352887.db2.gz VOYHIBOPMRPBFM-UHFFFAOYSA-N 2 1 301.434 2.376 20 30 DEEDMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988827 643541074 /nfs/dbraw/zinc/54/10/74/643541074.db2.gz XYNQMFUSZCMNDQ-VYDXJSESSA-N 2 1 313.449 2.218 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991858793 646671486 /nfs/dbraw/zinc/67/14/86/646671486.db2.gz HLCXMXOVENSFOW-AEFFLSMTSA-N 2 1 310.401 2.247 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136592 646867901 /nfs/dbraw/zinc/86/79/01/646867901.db2.gz KNWUSUUZGMDAEX-LISAXSMJSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136592 646867902 /nfs/dbraw/zinc/86/79/02/646867902.db2.gz KNWUSUUZGMDAEX-LISAXSMJSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992136592 646867903 /nfs/dbraw/zinc/86/79/03/646867903.db2.gz KNWUSUUZGMDAEX-LISAXSMJSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992288780 646930139 /nfs/dbraw/zinc/93/01/39/646930139.db2.gz SNECTZFVZKUSHO-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC(F)(F)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000815206145 646986620 /nfs/dbraw/zinc/98/66/20/646986620.db2.gz IJHSWZULEBEELN-CQSZACIVSA-N 2 1 317.424 2.072 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000815652325 647038226 /nfs/dbraw/zinc/03/82/26/647038226.db2.gz YLBPGOFWOPOKGI-UHFFFAOYSA-N 2 1 315.461 2.209 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000815652325 647038229 /nfs/dbraw/zinc/03/82/29/647038229.db2.gz YLBPGOFWOPOKGI-UHFFFAOYSA-N 2 1 315.461 2.209 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993532566 647691296 /nfs/dbraw/zinc/69/12/96/647691296.db2.gz VBLRRZPMZAUXSG-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029643 648988426 /nfs/dbraw/zinc/98/84/26/648988426.db2.gz YIOCAKLMUIYIIP-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029643 648988429 /nfs/dbraw/zinc/98/84/29/648988429.db2.gz YIOCAKLMUIYIIP-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029643 648988433 /nfs/dbraw/zinc/98/84/33/648988433.db2.gz YIOCAKLMUIYIIP-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941076278 648994796 /nfs/dbraw/zinc/99/47/96/648994796.db2.gz VIOWICYQXCATQZ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076278 648994800 /nfs/dbraw/zinc/99/48/00/648994800.db2.gz VIOWICYQXCATQZ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076278 648994802 /nfs/dbraw/zinc/99/48/02/648994802.db2.gz VIOWICYQXCATQZ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203332 649183096 /nfs/dbraw/zinc/18/30/96/649183096.db2.gz GXUCUBSYSZOGKB-KSSFIOAISA-N 2 1 324.428 2.106 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582075 649253809 /nfs/dbraw/zinc/25/38/09/649253809.db2.gz ROXXCCVDEHITSN-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169362 649490253 /nfs/dbraw/zinc/49/02/53/649490253.db2.gz ONWMQONNUUPALT-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169362 649490254 /nfs/dbraw/zinc/49/02/54/649490254.db2.gz ONWMQONNUUPALT-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP CCCCCCCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000849000020 651577638 /nfs/dbraw/zinc/57/76/38/651577638.db2.gz HCDKTTNDZJFDHT-CVEARBPZSA-N 2 1 310.486 2.324 20 30 DEEDMP CC(C)(C)[C@@]1(CN=NC(N)=[NH2+])CC[N@@H+](Cc2ccccc2)C1 ZINC000857206758 652078162 /nfs/dbraw/zinc/07/81/62/652078162.db2.gz GFTXCWMYIYWUBW-QGZVFWFLSA-N 2 1 301.438 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001392197065 1156888281 /nfs/dbraw/zinc/88/82/81/1156888281.db2.gz VDZGLTXMCWDRLP-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP CCC(CC)c1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)on1 ZINC000304804849 685262176 /nfs/dbraw/zinc/26/21/76/685262176.db2.gz QUVNLIGKAGNZEE-AWEZNQCLSA-N 2 1 321.469 2.467 20 30 DEEDMP CCNC(NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000395901901 685460854 /nfs/dbraw/zinc/46/08/54/685460854.db2.gz LPVAWRMDWVIISB-GOSISDBHSA-N 2 1 302.466 2.474 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791417 684192665 /nfs/dbraw/zinc/19/26/65/684192665.db2.gz SGRASHLTIMNKII-ZDUSSCGKSA-N 2 1 324.856 2.107 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133626 693857950 /nfs/dbraw/zinc/85/79/50/693857950.db2.gz HJAPJJKROILPGD-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133626 693857954 /nfs/dbraw/zinc/85/79/54/693857954.db2.gz HJAPJJKROILPGD-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133626 693857957 /nfs/dbraw/zinc/85/79/57/693857957.db2.gz HJAPJJKROILPGD-YQVWRLOYSA-N 2 1 319.493 2.217 20 30 DEEDMP COc1ccc([C@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)cc1 ZINC000303698516 685232942 /nfs/dbraw/zinc/23/29/42/685232942.db2.gz GJRQUCXCGKTRFC-KRWDZBQOSA-N 2 1 318.465 2.392 20 30 DEEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)C1 ZINC000303892645 685238969 /nfs/dbraw/zinc/23/89/69/685238969.db2.gz NUNBRBSZRFVNRE-LLVKDONJSA-N 2 1 310.829 2.417 20 30 DEEDMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865437522 687210558 /nfs/dbraw/zinc/21/05/58/687210558.db2.gz OZAJPTYWYRYFKY-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865437522 687210560 /nfs/dbraw/zinc/21/05/60/687210560.db2.gz OZAJPTYWYRYFKY-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(CNC(C)=O)CC2)CC1 ZINC000865453930 687217779 /nfs/dbraw/zinc/21/77/79/687217779.db2.gz MCOPSMFGTYEVAK-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000865600108 687272785 /nfs/dbraw/zinc/27/27/85/687272785.db2.gz DKOBFJVQUXVKSY-HNNXBMFYSA-N 2 1 300.450 2.446 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016652741 687674733 /nfs/dbraw/zinc/67/47/33/687674733.db2.gz WILUTYIDUQTKMD-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654254 687675640 /nfs/dbraw/zinc/67/56/40/687675640.db2.gz FHHSEYDLCFXSOH-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001017942187 688006457 /nfs/dbraw/zinc/00/64/57/688006457.db2.gz OCRWQLQHCIGYDT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001017942187 688006463 /nfs/dbraw/zinc/00/64/63/688006463.db2.gz OCRWQLQHCIGYDT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001017942187 688006464 /nfs/dbraw/zinc/00/64/64/688006464.db2.gz OCRWQLQHCIGYDT-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052973 688039371 /nfs/dbraw/zinc/03/93/71/688039371.db2.gz UQZBYPQELNLPOK-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018052973 688039377 /nfs/dbraw/zinc/03/93/77/688039377.db2.gz UQZBYPQELNLPOK-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018052973 688039384 /nfs/dbraw/zinc/03/93/84/688039384.db2.gz UQZBYPQELNLPOK-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018052973 688039390 /nfs/dbraw/zinc/03/93/90/688039390.db2.gz UQZBYPQELNLPOK-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018309155 688106386 /nfs/dbraw/zinc/10/63/86/688106386.db2.gz VFAWYVDAODCUMS-CALCHBBNSA-N 2 1 313.445 2.223 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018309155 688106389 /nfs/dbraw/zinc/10/63/89/688106389.db2.gz VFAWYVDAODCUMS-CALCHBBNSA-N 2 1 313.445 2.223 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918912 689020251 /nfs/dbraw/zinc/02/02/51/689020251.db2.gz WBKSEMPNHOJYFS-SFHVURJKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001032802671 689264409 /nfs/dbraw/zinc/26/44/09/689264409.db2.gz JENGQGVQLMUQRH-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001032802671 689264412 /nfs/dbraw/zinc/26/44/12/689264412.db2.gz JENGQGVQLMUQRH-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001032802671 689264416 /nfs/dbraw/zinc/26/44/16/689264416.db2.gz JENGQGVQLMUQRH-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507093 689524631 /nfs/dbraw/zinc/52/46/31/689524631.db2.gz BRWYHJQFYRHOAB-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571225 689547873 /nfs/dbraw/zinc/54/78/73/689547873.db2.gz MOXFTSYIWHBAEQ-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033926545 689663214 /nfs/dbraw/zinc/66/32/14/689663214.db2.gz FBUNTECWOOHXKV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033926545 689663217 /nfs/dbraw/zinc/66/32/17/689663217.db2.gz FBUNTECWOOHXKV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033926545 689663218 /nfs/dbraw/zinc/66/32/18/689663218.db2.gz FBUNTECWOOHXKV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214394 689765735 /nfs/dbraw/zinc/76/57/35/689765735.db2.gz LLJHXROZOVTEOP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214394 689765736 /nfs/dbraw/zinc/76/57/36/689765736.db2.gz LLJHXROZOVTEOP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214394 689765739 /nfs/dbraw/zinc/76/57/39/689765739.db2.gz LLJHXROZOVTEOP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291099 689797848 /nfs/dbraw/zinc/79/78/48/689797848.db2.gz PIKWOTMFWSZZKX-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034309996 689805471 /nfs/dbraw/zinc/80/54/71/689805471.db2.gz RHRFIWYZJBTZJC-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034309996 689805476 /nfs/dbraw/zinc/80/54/76/689805476.db2.gz RHRFIWYZJBTZJC-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363478 689822809 /nfs/dbraw/zinc/82/28/09/689822809.db2.gz BGALITVXSHKOTQ-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034363478 689822811 /nfs/dbraw/zinc/82/28/11/689822811.db2.gz BGALITVXSHKOTQ-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479201 689866095 /nfs/dbraw/zinc/86/60/95/689866095.db2.gz UPTZFOZEGAVTPP-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196238 690055954 /nfs/dbraw/zinc/05/59/54/690055954.db2.gz ZACRELXAGMHSFC-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196238 690055956 /nfs/dbraw/zinc/05/59/56/690055956.db2.gz ZACRELXAGMHSFC-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196238 690055958 /nfs/dbraw/zinc/05/59/58/690055958.db2.gz ZACRELXAGMHSFC-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254514 690074782 /nfs/dbraw/zinc/07/47/82/690074782.db2.gz KCYFOYFCDWTPQI-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254514 690074786 /nfs/dbraw/zinc/07/47/86/690074786.db2.gz KCYFOYFCDWTPQI-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773320 690469356 /nfs/dbraw/zinc/46/93/56/690469356.db2.gz LEFTZPRAMGNXAK-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896812 690519953 /nfs/dbraw/zinc/51/99/53/690519953.db2.gz UTXZJRGSQGEGFD-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896812 690519956 /nfs/dbraw/zinc/51/99/56/690519956.db2.gz UTXZJRGSQGEGFD-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039423690 691103037 /nfs/dbraw/zinc/10/30/37/691103037.db2.gz HILBGPDVDAOCCS-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423690 691103038 /nfs/dbraw/zinc/10/30/38/691103038.db2.gz HILBGPDVDAOCCS-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039423690 691103039 /nfs/dbraw/zinc/10/30/39/691103039.db2.gz HILBGPDVDAOCCS-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039437119 691105794 /nfs/dbraw/zinc/10/57/94/691105794.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437119 691105796 /nfs/dbraw/zinc/10/57/96/691105796.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437119 691105799 /nfs/dbraw/zinc/10/57/99/691105799.db2.gz BIUOTVCREGIIHG-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040261323 691222112 /nfs/dbraw/zinc/22/21/12/691222112.db2.gz MLUBHCCNODACKX-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040914232 691298344 /nfs/dbraw/zinc/29/83/44/691298344.db2.gz MOFNPUDIHJGEGV-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357416 691367236 /nfs/dbraw/zinc/36/72/36/691367236.db2.gz HFDWKKIHFVWQBV-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408138 691372544 /nfs/dbraw/zinc/37/25/44/691372544.db2.gz KWZMMPBEFSQZPR-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408138 691372546 /nfs/dbraw/zinc/37/25/46/691372546.db2.gz KWZMMPBEFSQZPR-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408138 691372547 /nfs/dbraw/zinc/37/25/47/691372547.db2.gz KWZMMPBEFSQZPR-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000883131926 691436513 /nfs/dbraw/zinc/43/65/13/691436513.db2.gz ZDRWMHFUQMOSPF-IBGZPJMESA-N 2 1 316.445 2.289 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000883131926 691436514 /nfs/dbraw/zinc/43/65/14/691436514.db2.gz ZDRWMHFUQMOSPF-IBGZPJMESA-N 2 1 316.445 2.289 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000883131464 691436541 /nfs/dbraw/zinc/43/65/41/691436541.db2.gz CIIXNCUPDYWSDB-UHFFFAOYSA-N 2 1 312.360 2.341 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000883131464 691436544 /nfs/dbraw/zinc/43/65/44/691436544.db2.gz CIIXNCUPDYWSDB-UHFFFAOYSA-N 2 1 312.360 2.341 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188266 691532898 /nfs/dbraw/zinc/53/28/98/691532898.db2.gz RGCKWYPQNSEWBJ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001043183460 691687089 /nfs/dbraw/zinc/68/70/89/691687089.db2.gz MYPKYYYYJFWCMF-UHFFFAOYSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044002415 691757086 /nfs/dbraw/zinc/75/70/86/691757086.db2.gz BPUSHZIAYXWQKQ-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045544560 691995467 /nfs/dbraw/zinc/99/54/67/691995467.db2.gz INLNWEQZSBFCPT-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045557293 691996784 /nfs/dbraw/zinc/99/67/84/691996784.db2.gz FYYODVFSDVGOJA-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886719869 692172543 /nfs/dbraw/zinc/17/25/43/692172543.db2.gz KASGNNWBTHCYRG-MRXNPFEDSA-N 2 1 305.466 2.382 20 30 DEEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561659 692223992 /nfs/dbraw/zinc/22/39/92/692223992.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561659 692223997 /nfs/dbraw/zinc/22/39/97/692223997.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561659 692224000 /nfs/dbraw/zinc/22/40/00/692224000.db2.gz JAOBVZDQFAIFNJ-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048539821 692642836 /nfs/dbraw/zinc/64/28/36/692642836.db2.gz MGIAVCRBCRTYFY-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048539821 692642837 /nfs/dbraw/zinc/64/28/37/692642837.db2.gz MGIAVCRBCRTYFY-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048539821 692642838 /nfs/dbraw/zinc/64/28/38/692642838.db2.gz MGIAVCRBCRTYFY-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048912073 692721483 /nfs/dbraw/zinc/72/14/83/692721483.db2.gz XSYHNLJIHCJVHF-IYBDPMFKSA-N 2 1 324.428 2.223 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095227 692762338 /nfs/dbraw/zinc/76/23/38/692762338.db2.gz VGUQHCZPXVPSLG-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235655 692796814 /nfs/dbraw/zinc/79/68/14/692796814.db2.gz QJSLNHBZYDVEIY-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535934 692915104 /nfs/dbraw/zinc/91/51/04/692915104.db2.gz LEUQRJONYWFYRV-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535934 692915105 /nfs/dbraw/zinc/91/51/05/692915105.db2.gz LEUQRJONYWFYRV-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535934 692915109 /nfs/dbraw/zinc/91/51/09/692915109.db2.gz LEUQRJONYWFYRV-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571575 692926415 /nfs/dbraw/zinc/92/64/15/692926415.db2.gz DVXXROQQUIWTCS-SJORKVTESA-N 2 1 310.401 2.199 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049663289 692958184 /nfs/dbraw/zinc/95/81/84/692958184.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663289 692958187 /nfs/dbraw/zinc/95/81/87/692958187.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663289 692958190 /nfs/dbraw/zinc/95/81/90/692958190.db2.gz LUDMUOARTMAGIH-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049663294 692958212 /nfs/dbraw/zinc/95/82/12/692958212.db2.gz LUDMUOARTMAGIH-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663294 692958215 /nfs/dbraw/zinc/95/82/15/692958215.db2.gz LUDMUOARTMAGIH-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663294 692958218 /nfs/dbraw/zinc/95/82/18/692958218.db2.gz LUDMUOARTMAGIH-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763777 692992434 /nfs/dbraw/zinc/99/24/34/692992434.db2.gz YOSAUIULJFYFFY-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051379 693093279 /nfs/dbraw/zinc/09/32/79/693093279.db2.gz RMGCIURCTRSKFU-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051379 693093283 /nfs/dbraw/zinc/09/32/83/693093283.db2.gz RMGCIURCTRSKFU-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050051379 693093286 /nfs/dbraw/zinc/09/32/86/693093286.db2.gz RMGCIURCTRSKFU-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157392 693124446 /nfs/dbraw/zinc/12/44/46/693124446.db2.gz DDCNVOVAIQVMSD-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536862 693202663 /nfs/dbraw/zinc/20/26/63/693202663.db2.gz OZSFBCHJPSOPJG-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439355 693535429 /nfs/dbraw/zinc/53/54/29/693535429.db2.gz LLCPTYRWNWIBQT-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439355 693535432 /nfs/dbraw/zinc/53/54/32/693535432.db2.gz LLCPTYRWNWIBQT-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717523 693602723 /nfs/dbraw/zinc/60/27/23/693602723.db2.gz WJFNHCOJPNVRDX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717523 693602725 /nfs/dbraw/zinc/60/27/25/693602725.db2.gz WJFNHCOJPNVRDX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717523 693602727 /nfs/dbraw/zinc/60/27/27/693602727.db2.gz WJFNHCOJPNVRDX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)CN1CCC[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001402220535 1162295622 /nfs/dbraw/zinc/29/56/22/1162295622.db2.gz GFBDULGHFUJPEU-MRXNPFEDSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402220535 1162295626 /nfs/dbraw/zinc/29/56/26/1162295626.db2.gz GFBDULGHFUJPEU-MRXNPFEDSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001402220535 1162295630 /nfs/dbraw/zinc/29/56/30/1162295630.db2.gz GFBDULGHFUJPEU-MRXNPFEDSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001402220535 1162295638 /nfs/dbraw/zinc/29/56/38/1162295638.db2.gz GFBDULGHFUJPEU-MRXNPFEDSA-N 2 1 315.889 2.297 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001332218713 1149836797 /nfs/dbraw/zinc/83/67/97/1149836797.db2.gz LRTHLIYYKBKGLY-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)CC[NH+](C)C)CC1 ZINC001479995981 1151307192 /nfs/dbraw/zinc/30/71/92/1151307192.db2.gz ZKXYBOVCOJESTQ-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302804 1152997976 /nfs/dbraw/zinc/99/79/76/1152997976.db2.gz YFMSQPYPVYQTEW-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001381302804 1152997981 /nfs/dbraw/zinc/99/79/81/1152997981.db2.gz YFMSQPYPVYQTEW-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001382354118 1153432924 /nfs/dbraw/zinc/43/29/24/1153432924.db2.gz ZRSITZOPVFCMJL-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001382354118 1153432929 /nfs/dbraw/zinc/43/29/29/1153432929.db2.gz ZRSITZOPVFCMJL-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001382354118 1153432930 /nfs/dbraw/zinc/43/29/30/1153432930.db2.gz ZRSITZOPVFCMJL-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001382354118 1153432934 /nfs/dbraw/zinc/43/29/34/1153432934.db2.gz ZRSITZOPVFCMJL-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001390607990 1155813370 /nfs/dbraw/zinc/81/33/70/1155813370.db2.gz HNMBJEHLJZNVGE-KGLIPLIRSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001371691271 1155927670 /nfs/dbraw/zinc/92/76/70/1155927670.db2.gz OVBVZYZSSQVAQN-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001371691271 1155927675 /nfs/dbraw/zinc/92/76/75/1155927675.db2.gz OVBVZYZSSQVAQN-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001371691271 1155927691 /nfs/dbraw/zinc/92/76/91/1155927691.db2.gz OVBVZYZSSQVAQN-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001371691271 1155927697 /nfs/dbraw/zinc/92/76/97/1155927697.db2.gz OVBVZYZSSQVAQN-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764923 1157396593 /nfs/dbraw/zinc/39/65/93/1157396593.db2.gz MZNYLMYZUDGPBT-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001404501483 1163685193 /nfs/dbraw/zinc/68/51/93/1163685193.db2.gz QUVYBWUMMPUPAY-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001404501483 1163685195 /nfs/dbraw/zinc/68/51/95/1163685195.db2.gz QUVYBWUMMPUPAY-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001404501483 1163685198 /nfs/dbraw/zinc/68/51/98/1163685198.db2.gz QUVYBWUMMPUPAY-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001439766103 1181226985 /nfs/dbraw/zinc/22/69/85/1181226985.db2.gz UHTXKUYGODVMMG-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001440406519 1181491491 /nfs/dbraw/zinc/49/14/91/1181491491.db2.gz UMFKYMHQXPHPKN-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001440406519 1181491498 /nfs/dbraw/zinc/49/14/98/1181491498.db2.gz UMFKYMHQXPHPKN-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001440406519 1181491502 /nfs/dbraw/zinc/49/15/02/1181491502.db2.gz UMFKYMHQXPHPKN-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210785 782520526 /nfs/dbraw/zinc/52/05/26/782520526.db2.gz FHEWIEPBJGAYJA-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211048 782522869 /nfs/dbraw/zinc/52/28/69/782522869.db2.gz OPTMIVWDTNGSEW-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208603551 776597342 /nfs/dbraw/zinc/59/73/42/776597342.db2.gz DIEDNIOYGDSKRY-MRXNPFEDSA-N 2 1 321.465 2.049 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288046 776899785 /nfs/dbraw/zinc/89/97/85/776899785.db2.gz RRSSPWUFJXUMIV-KURKYZTESA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362681 777133115 /nfs/dbraw/zinc/13/31/15/777133115.db2.gz DGOFQLNQULBKHY-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104421356 777362342 /nfs/dbraw/zinc/36/23/42/777362342.db2.gz OYWFDOFKBCOZPE-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606672 777415882 /nfs/dbraw/zinc/41/58/82/777415882.db2.gz QTILPBVTKGRKJV-SOEBMCCKSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569536 779357357 /nfs/dbraw/zinc/35/73/57/779357357.db2.gz ARTXXHQUKLQBSP-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569536 779357364 /nfs/dbraw/zinc/35/73/64/779357364.db2.gz ARTXXHQUKLQBSP-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569536 779357365 /nfs/dbraw/zinc/35/73/65/779357365.db2.gz ARTXXHQUKLQBSP-GVDBMIGSSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602322 779374018 /nfs/dbraw/zinc/37/40/18/779374018.db2.gz KJGMTLHDLCUQPW-FGTMMUONSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602322 779374022 /nfs/dbraw/zinc/37/40/22/779374022.db2.gz KJGMTLHDLCUQPW-FGTMMUONSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602322 779374028 /nfs/dbraw/zinc/37/40/28/779374028.db2.gz KJGMTLHDLCUQPW-FGTMMUONSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746003 779434814 /nfs/dbraw/zinc/43/48/14/779434814.db2.gz AEAFOLHSPDBPNB-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746003 779434815 /nfs/dbraw/zinc/43/48/15/779434815.db2.gz AEAFOLHSPDBPNB-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749368 779435800 /nfs/dbraw/zinc/43/58/00/779435800.db2.gz HTBCUGOMTISIMZ-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749368 779435803 /nfs/dbraw/zinc/43/58/03/779435803.db2.gz HTBCUGOMTISIMZ-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749368 779435806 /nfs/dbraw/zinc/43/58/06/779435806.db2.gz HTBCUGOMTISIMZ-BBWFWOEESA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495797 779866509 /nfs/dbraw/zinc/86/65/09/779866509.db2.gz KNYPOJQVNRUCDV-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985495797 779866519 /nfs/dbraw/zinc/86/65/19/779866519.db2.gz KNYPOJQVNRUCDV-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985495797 779866526 /nfs/dbraw/zinc/86/65/26/779866526.db2.gz KNYPOJQVNRUCDV-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615111 779971801 /nfs/dbraw/zinc/97/18/01/779971801.db2.gz URTKRAMVHZTQEX-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518094 780731546 /nfs/dbraw/zinc/73/15/46/780731546.db2.gz QMFHMVUTAVVLGU-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810068 781021252 /nfs/dbraw/zinc/02/12/52/781021252.db2.gz CMFNNSLAHGPRME-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810068 781021261 /nfs/dbraw/zinc/02/12/61/781021261.db2.gz CMFNNSLAHGPRME-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810068 781021271 /nfs/dbraw/zinc/02/12/71/781021271.db2.gz CMFNNSLAHGPRME-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948388428 783448836 /nfs/dbraw/zinc/44/88/36/783448836.db2.gz GAMNICUKLUWQTH-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388428 783448843 /nfs/dbraw/zinc/44/88/43/783448843.db2.gz GAMNICUKLUWQTH-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948388428 783448851 /nfs/dbraw/zinc/44/88/51/783448851.db2.gz GAMNICUKLUWQTH-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001085432081 783680336 /nfs/dbraw/zinc/68/03/36/783680336.db2.gz HJVLMQQPTGWGHF-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085688590 783967259 /nfs/dbraw/zinc/96/72/59/783967259.db2.gz NQCXXYIYUUVTER-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688590 783967264 /nfs/dbraw/zinc/96/72/64/783967264.db2.gz NQCXXYIYUUVTER-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085688590 783967271 /nfs/dbraw/zinc/96/72/71/783967271.db2.gz NQCXXYIYUUVTER-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901513 784193938 /nfs/dbraw/zinc/19/39/38/784193938.db2.gz HDSQEJDXMGEQEY-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192304 784247419 /nfs/dbraw/zinc/24/74/19/784247419.db2.gz QJBBYXZZDRYZGS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378445 784337988 /nfs/dbraw/zinc/33/79/88/784337988.db2.gz PXVDAUNBTCPXBM-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378445 784337992 /nfs/dbraw/zinc/33/79/92/784337992.db2.gz PXVDAUNBTCPXBM-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086102038 784410933 /nfs/dbraw/zinc/41/09/33/784410933.db2.gz GNZSADUMJSMAIX-QLFBSQMISA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887276 784638369 /nfs/dbraw/zinc/63/83/69/784638369.db2.gz ADHWJNFXCKFTIZ-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887276 784638375 /nfs/dbraw/zinc/63/83/75/784638375.db2.gz ADHWJNFXCKFTIZ-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387195 784640357 /nfs/dbraw/zinc/64/03/57/784640357.db2.gz VBYMGKVYFTTXSV-ZOBUZTSGSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001086400100 784672165 /nfs/dbraw/zinc/67/21/65/784672165.db2.gz VZFDREUMDXKIFS-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751404 784992025 /nfs/dbraw/zinc/99/20/25/784992025.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751404 784992029 /nfs/dbraw/zinc/99/20/29/784992029.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751404 784992032 /nfs/dbraw/zinc/99/20/32/784992032.db2.gz ZHGBGKNCLDFXOX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797425 785361241 /nfs/dbraw/zinc/36/12/41/785361241.db2.gz FTLHGQALVREOLU-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614542 785493499 /nfs/dbraw/zinc/49/34/99/785493499.db2.gz XOPBTVYAVHJKSU-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794073 785540788 /nfs/dbraw/zinc/54/07/88/785540788.db2.gz NRGWHBJMQRRCDE-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430821 786583371 /nfs/dbraw/zinc/58/33/71/786583371.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430821 786583380 /nfs/dbraw/zinc/58/33/80/786583380.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430821 786583388 /nfs/dbraw/zinc/58/33/88/786583388.db2.gz HHTJCLNQHXQKMR-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623654 787143626 /nfs/dbraw/zinc/14/36/26/787143626.db2.gz ZOILMZDWWUQGHY-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015623654 787143635 /nfs/dbraw/zinc/14/36/35/787143635.db2.gz ZOILMZDWWUQGHY-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549751 788126840 /nfs/dbraw/zinc/12/68/40/788126840.db2.gz ZCJPWSCMCJPNBY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132889241 788219610 /nfs/dbraw/zinc/21/96/10/788219610.db2.gz YPAUFWRQDFNDRQ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004726 788249839 /nfs/dbraw/zinc/24/98/39/788249839.db2.gz IORBKJYSYJFVEY-MRXNPFEDSA-N 2 1 318.465 2.206 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097853825 788252926 /nfs/dbraw/zinc/25/29/26/788252926.db2.gz PILBTYBPDSCVOM-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097853825 788252931 /nfs/dbraw/zinc/25/29/31/788252931.db2.gz PILBTYBPDSCVOM-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097853825 788252939 /nfs/dbraw/zinc/25/29/39/788252939.db2.gz PILBTYBPDSCVOM-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001170750737 788915894 /nfs/dbraw/zinc/91/58/94/788915894.db2.gz MOVNILMHMPVJAJ-IAGOWNOFSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608682 789004467 /nfs/dbraw/zinc/00/44/67/789004467.db2.gz YZJVZLQLCMQWBL-STQMWFEESA-N 2 1 301.862 2.096 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135019805 789167296 /nfs/dbraw/zinc/16/72/96/789167296.db2.gz CRUKNCGUGQDTOQ-LSDHHAIUSA-N 2 1 318.465 2.211 20 30 DEEDMP C=CCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170869047 789562884 /nfs/dbraw/zinc/56/28/84/789562884.db2.gz ZWROGLYRLBNVLB-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071794780 789922234 /nfs/dbraw/zinc/92/22/34/789922234.db2.gz FNIWJIAQYGFBFR-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071930572 789976667 /nfs/dbraw/zinc/97/66/67/789976667.db2.gz HCCVLSLNVYMMHO-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811806 790255864 /nfs/dbraw/zinc/25/58/64/790255864.db2.gz HMSWNAPVLGFVHX-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811806 790255867 /nfs/dbraw/zinc/25/58/67/790255867.db2.gz HMSWNAPVLGFVHX-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811806 790255871 /nfs/dbraw/zinc/25/58/71/790255871.db2.gz HMSWNAPVLGFVHX-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813562 790256350 /nfs/dbraw/zinc/25/63/50/790256350.db2.gz WNZLKEAQXBQPNZ-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813562 790256355 /nfs/dbraw/zinc/25/63/55/790256355.db2.gz WNZLKEAQXBQPNZ-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813562 790256361 /nfs/dbraw/zinc/25/63/61/790256361.db2.gz WNZLKEAQXBQPNZ-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731380 /nfs/dbraw/zinc/73/13/80/791731380.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731383 /nfs/dbraw/zinc/73/13/83/791731383.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292900 791731384 /nfs/dbraw/zinc/73/13/84/791731384.db2.gz ZKOOVXIHTYKSTF-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148481000 791753147 /nfs/dbraw/zinc/75/31/47/791753147.db2.gz OEZZVBFPSVZYIO-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605945 791774825 /nfs/dbraw/zinc/77/48/25/791774825.db2.gz YLNCMVPPMQRLGB-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605945 791774828 /nfs/dbraw/zinc/77/48/28/791774828.db2.gz YLNCMVPPMQRLGB-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148605945 791774832 /nfs/dbraw/zinc/77/48/32/791774832.db2.gz YLNCMVPPMQRLGB-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754327 791814630 /nfs/dbraw/zinc/81/46/30/791814630.db2.gz OATDAXWEYLSKOS-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754327 791814633 /nfs/dbraw/zinc/81/46/33/791814633.db2.gz OATDAXWEYLSKOS-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754327 791814637 /nfs/dbraw/zinc/81/46/37/791814637.db2.gz OATDAXWEYLSKOS-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953345 791911881 /nfs/dbraw/zinc/91/18/81/791911881.db2.gz IIJQQMBNOACPHO-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953345 791911883 /nfs/dbraw/zinc/91/18/83/791911883.db2.gz IIJQQMBNOACPHO-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953345 791911886 /nfs/dbraw/zinc/91/18/86/791911886.db2.gz IIJQQMBNOACPHO-BMFAXAFESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676386 792109461 /nfs/dbraw/zinc/10/94/61/792109461.db2.gz WBYWDAURZJWOKQ-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676386 792109464 /nfs/dbraw/zinc/10/94/64/792109464.db2.gz WBYWDAURZJWOKQ-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092830076 792144745 /nfs/dbraw/zinc/14/47/45/792144745.db2.gz VTOTZYJLTSHGPN-GDBMZVCRSA-N 2 1 312.417 2.208 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548302 792238368 /nfs/dbraw/zinc/23/83/68/792238368.db2.gz SRLFQNSAKPCLQL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548302 792238373 /nfs/dbraw/zinc/23/83/73/792238373.db2.gz SRLFQNSAKPCLQL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548302 792238381 /nfs/dbraw/zinc/23/83/81/792238381.db2.gz SRLFQNSAKPCLQL-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405567 792632392 /nfs/dbraw/zinc/63/23/92/792632392.db2.gz BTWNRGMEXXKOSO-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101036709 792977684 /nfs/dbraw/zinc/97/76/84/792977684.db2.gz ZAVLNLDQWSCVPL-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171634698 793171628 /nfs/dbraw/zinc/17/16/28/793171628.db2.gz WXHDTUATPWPDFB-DLBZAZTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171812426 793222881 /nfs/dbraw/zinc/22/28/81/793222881.db2.gz PPGRJTXTVYRQRV-CYBMUJFWSA-N 2 1 312.845 2.209 20 30 DEEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594471 793258412 /nfs/dbraw/zinc/25/84/12/793258412.db2.gz DKMFUUWQGQISNR-MRXNPFEDSA-N 2 1 321.509 2.369 20 30 DEEDMP COCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001172255611 793390794 /nfs/dbraw/zinc/39/07/94/793390794.db2.gz XPMZVEFGBQPMMA-UHFFFAOYSA-N 2 1 301.434 2.491 20 30 DEEDMP COCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001172255611 793390802 /nfs/dbraw/zinc/39/08/02/793390802.db2.gz XPMZVEFGBQPMMA-UHFFFAOYSA-N 2 1 301.434 2.491 20 30 DEEDMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496733 793437582 /nfs/dbraw/zinc/43/75/82/793437582.db2.gz PMVFWWWMFNMBBW-ROUUACIJSA-N 2 1 323.481 2.130 20 30 DEEDMP COCCN1CCOC[C@]2(CCC[N@H+]([C@@H](C)CCCC#N)C2)C1 ZINC001172496734 793437594 /nfs/dbraw/zinc/43/75/94/793437594.db2.gz PMVFWWWMFNMBBW-ZWKOTPCHSA-N 2 1 323.481 2.130 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103007234 793879305 /nfs/dbraw/zinc/87/93/05/793879305.db2.gz GQEBFXXHBSRELR-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103007234 793879310 /nfs/dbraw/zinc/87/93/10/793879310.db2.gz GQEBFXXHBSRELR-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103007234 793879317 /nfs/dbraw/zinc/87/93/17/793879317.db2.gz GQEBFXXHBSRELR-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087616 793934480 /nfs/dbraw/zinc/93/44/80/793934480.db2.gz JWSQDBVVXUNFFI-KBAYOESNSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140347 793955179 /nfs/dbraw/zinc/95/51/79/793955179.db2.gz ZQKNSAIWVVBUPN-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550587 794141077 /nfs/dbraw/zinc/14/10/77/794141077.db2.gz XUSRFSQHTWEPRL-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647186 794176357 /nfs/dbraw/zinc/17/63/57/794176357.db2.gz YLPVFRFHXLAFJN-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176164319 794375215 /nfs/dbraw/zinc/37/52/15/794375215.db2.gz AJNNXBGJODDVCJ-CABCVRRESA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899889 794519398 /nfs/dbraw/zinc/51/93/98/794519398.db2.gz XFRINJJYGGFZEK-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001111899889 794519402 /nfs/dbraw/zinc/51/94/02/794519402.db2.gz XFRINJJYGGFZEK-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001111899889 794519407 /nfs/dbraw/zinc/51/94/07/794519407.db2.gz XFRINJJYGGFZEK-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001111899611 794519618 /nfs/dbraw/zinc/51/96/18/794519618.db2.gz QTKSUDICDOORQY-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001111899611 794519627 /nfs/dbraw/zinc/51/96/27/794519627.db2.gz QTKSUDICDOORQY-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001111899611 794519634 /nfs/dbraw/zinc/51/96/34/794519634.db2.gz QTKSUDICDOORQY-VKJFTORMSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926708 794528279 /nfs/dbraw/zinc/52/82/79/794528279.db2.gz DXHBSOKTZYRNMI-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926708 794528285 /nfs/dbraw/zinc/52/82/85/794528285.db2.gz DXHBSOKTZYRNMI-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926708 794528291 /nfs/dbraw/zinc/52/82/91/794528291.db2.gz DXHBSOKTZYRNMI-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926708 794528296 /nfs/dbraw/zinc/52/82/96/794528296.db2.gz DXHBSOKTZYRNMI-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950854 794532804 /nfs/dbraw/zinc/53/28/04/794532804.db2.gz FCZUJDYDTPHHMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950854 794532810 /nfs/dbraw/zinc/53/28/10/794532810.db2.gz FCZUJDYDTPHHMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950854 794532814 /nfs/dbraw/zinc/53/28/14/794532814.db2.gz FCZUJDYDTPHHMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177466904 794673117 /nfs/dbraw/zinc/67/31/17/794673117.db2.gz JTJVYZMPQSUPJB-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115303226 794728036 /nfs/dbraw/zinc/72/80/36/794728036.db2.gz ZHJLXNYMQNWMPQ-VSZNYVQBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045041 794803776 /nfs/dbraw/zinc/80/37/76/794803776.db2.gz AYSUTLBDZJWJLA-CQSZACIVSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579410 794828192 /nfs/dbraw/zinc/82/81/92/794828192.db2.gz MQKMNWHGPOSKOM-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001178468631 794931785 /nfs/dbraw/zinc/93/17/85/794931785.db2.gz VMGCYNOFTZVHPV-QGZVFWFLSA-N 2 1 307.482 2.149 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001178920680 795031649 /nfs/dbraw/zinc/03/16/49/795031649.db2.gz DROGGDDAZJPXHF-GOSISDBHSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179590917 795138867 /nfs/dbraw/zinc/13/88/67/795138867.db2.gz LZIZCZCGSXFTGI-MRXNPFEDSA-N 2 1 318.465 2.206 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580318 795145417 /nfs/dbraw/zinc/14/54/17/795145417.db2.gz DNCUDTKSAFIGFA-HNNXBMFYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001120074458 795402261 /nfs/dbraw/zinc/40/22/61/795402261.db2.gz HKAROCIYDAPERD-SFHVURJKSA-N 2 1 319.493 2.457 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193998 795601629 /nfs/dbraw/zinc/60/16/29/795601629.db2.gz MKLRTTZLMHHGMS-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121774100 795686047 /nfs/dbraw/zinc/68/60/47/795686047.db2.gz YKXVVMUKAQYEHY-FIXVGMIGSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183354291 795853439 /nfs/dbraw/zinc/85/34/39/795853439.db2.gz ZUZGLJPBVDRQFE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001183354291 795853441 /nfs/dbraw/zinc/85/34/41/795853441.db2.gz ZUZGLJPBVDRQFE-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2ccnc2)C1 ZINC001183497296 795881259 /nfs/dbraw/zinc/88/12/59/795881259.db2.gz VWRZUEKVYNPZRD-CABCVRRESA-N 2 1 324.856 2.413 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184575106 796086353 /nfs/dbraw/zinc/08/63/53/796086353.db2.gz BJSMCHMJPMJVEO-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034250 796481792 /nfs/dbraw/zinc/48/17/92/796481792.db2.gz BHSFELSPUKOUDG-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111270 796765074 /nfs/dbraw/zinc/76/50/74/796765074.db2.gz XWKRXMWCKJTESK-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530049 796846728 /nfs/dbraw/zinc/84/67/28/796846728.db2.gz DHJWWWPCNFKEPD-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178023 796955705 /nfs/dbraw/zinc/95/57/05/796955705.db2.gz UXVBZIDLBIKCNY-BHYGNILZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178023 796955708 /nfs/dbraw/zinc/95/57/08/796955708.db2.gz UXVBZIDLBIKCNY-BHYGNILZSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653543 797050284 /nfs/dbraw/zinc/05/02/84/797050284.db2.gz DIESDHJGBCVYEC-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653543 797050290 /nfs/dbraw/zinc/05/02/90/797050290.db2.gz DIESDHJGBCVYEC-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653543 797050297 /nfs/dbraw/zinc/05/02/97/797050297.db2.gz DIESDHJGBCVYEC-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163258 797148851 /nfs/dbraw/zinc/14/88/51/797148851.db2.gz UYGNJHOTWLLKHZ-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152529492 797199078 /nfs/dbraw/zinc/19/90/78/797199078.db2.gz PZFSADGBBJUGNH-DOTOQJQBSA-N 2 1 303.450 2.350 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552137 797224746 /nfs/dbraw/zinc/22/47/46/797224746.db2.gz SWUCMCKOUIXTOW-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923259 797285863 /nfs/dbraw/zinc/28/58/63/797285863.db2.gz RUXLIRQIBHGJLT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923259 797285865 /nfs/dbraw/zinc/28/58/65/797285865.db2.gz RUXLIRQIBHGJLT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923259 797285872 /nfs/dbraw/zinc/28/58/72/797285872.db2.gz RUXLIRQIBHGJLT-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192670999 797429266 /nfs/dbraw/zinc/42/92/66/797429266.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192670999 797429268 /nfs/dbraw/zinc/42/92/68/797429268.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192670999 797429271 /nfs/dbraw/zinc/42/92/71/797429271.db2.gz DKKGWACKFKGWBQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001154083024 797458124 /nfs/dbraw/zinc/45/81/24/797458124.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 1 318.465 2.226 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001154083024 797458127 /nfs/dbraw/zinc/45/81/27/797458127.db2.gz CRWCMYZMAVLLSJ-UKRRQHHQSA-N 2 1 318.465 2.226 20 30 DEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011594 797662592 /nfs/dbraw/zinc/66/25/92/797662592.db2.gz VGQFSGCZTFULQP-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011594 797662593 /nfs/dbraw/zinc/66/25/93/797662593.db2.gz VGQFSGCZTFULQP-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011594 797662598 /nfs/dbraw/zinc/66/25/98/797662598.db2.gz VGQFSGCZTFULQP-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001807 797667345 /nfs/dbraw/zinc/66/73/45/797667345.db2.gz KVEICPVOYAHQOG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001807 797667348 /nfs/dbraw/zinc/66/73/48/797667348.db2.gz KVEICPVOYAHQOG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001807 797667351 /nfs/dbraw/zinc/66/73/51/797667351.db2.gz KVEICPVOYAHQOG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156305705 797970953 /nfs/dbraw/zinc/97/09/53/797970953.db2.gz FORCRVRFMFIZHC-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305705 797970958 /nfs/dbraw/zinc/97/09/58/797970958.db2.gz FORCRVRFMFIZHC-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305705 797970961 /nfs/dbraw/zinc/97/09/61/797970961.db2.gz FORCRVRFMFIZHC-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203178029 798469913 /nfs/dbraw/zinc/46/99/13/798469913.db2.gz NDFURHQOKIEDIP-CVEARBPZSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159926060 798627061 /nfs/dbraw/zinc/62/70/61/798627061.db2.gz ZGRLEFAOZNEZMW-CABCVRRESA-N 2 1 304.438 2.211 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353802 798678790 /nfs/dbraw/zinc/67/87/90/798678790.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353802 798678793 /nfs/dbraw/zinc/67/87/93/798678793.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353802 798678797 /nfs/dbraw/zinc/67/87/97/798678797.db2.gz YXJHNHZFPIUFIU-GOSISDBHSA-N 2 1 319.493 2.289 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378998 798748399 /nfs/dbraw/zinc/74/83/99/798748399.db2.gz UCSADKDZGIGRHV-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008945 798778687 /nfs/dbraw/zinc/77/86/87/798778687.db2.gz XVWZWSCRPBPUKL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008945 798778688 /nfs/dbraw/zinc/77/86/88/798778688.db2.gz XVWZWSCRPBPUKL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008945 798778689 /nfs/dbraw/zinc/77/86/89/798778689.db2.gz XVWZWSCRPBPUKL-WMZOPIPTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084120 798793548 /nfs/dbraw/zinc/79/35/48/798793548.db2.gz HARPUROJPRAZOO-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818308 798800364 /nfs/dbraw/zinc/80/03/64/798800364.db2.gz LRQLPFXXKQDBOV-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000103337609 799470392 /nfs/dbraw/zinc/47/03/92/799470392.db2.gz JORPHJGBKYOGRI-INIZCTEOSA-N 2 1 314.433 2.118 20 30 DEEDMP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1CC#N ZINC001164213314 799540965 /nfs/dbraw/zinc/54/09/65/799540965.db2.gz SEHCMMTUFBAOGV-UHFFFAOYSA-N 2 1 300.450 2.499 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164575803 799625324 /nfs/dbraw/zinc/62/53/24/799625324.db2.gz ICSKSKHUMXPCMU-HZPDHXFCSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095625071 799676034 /nfs/dbraw/zinc/67/60/34/799676034.db2.gz XWFGYXBQPUWAFH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001095625071 799676040 /nfs/dbraw/zinc/67/60/40/799676040.db2.gz XWFGYXBQPUWAFH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095625071 799676045 /nfs/dbraw/zinc/67/60/45/799676045.db2.gz XWFGYXBQPUWAFH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001095625071 799676050 /nfs/dbraw/zinc/67/60/50/799676050.db2.gz XWFGYXBQPUWAFH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954019 799794575 /nfs/dbraw/zinc/79/45/75/799794575.db2.gz KDGGKPYPFPOIJP-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976506 799805739 /nfs/dbraw/zinc/80/57/39/799805739.db2.gz OYUVINNGQVOQIH-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633573 800095929 /nfs/dbraw/zinc/09/59/29/800095929.db2.gz ZFHZBQIWRJILKA-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461280 800360413 /nfs/dbraw/zinc/36/04/13/800360413.db2.gz GTWBPEGJMVPDPA-MRXNPFEDSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952279 800640564 /nfs/dbraw/zinc/64/05/64/800640564.db2.gz HTRLKMAIYAULST-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331600 800956624 /nfs/dbraw/zinc/95/66/24/800956624.db2.gz UWUOBZQSNDYRSR-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208409669 800977611 /nfs/dbraw/zinc/97/76/11/800977611.db2.gz MRHBCGIKXMFXRO-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208409669 800977616 /nfs/dbraw/zinc/97/76/16/800977616.db2.gz MRHBCGIKXMFXRO-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208409669 800977621 /nfs/dbraw/zinc/97/76/21/800977621.db2.gz MRHBCGIKXMFXRO-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230627056 801440615 /nfs/dbraw/zinc/44/06/15/801440615.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230627056 801440619 /nfs/dbraw/zinc/44/06/19/801440619.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230627056 801440624 /nfs/dbraw/zinc/44/06/24/801440624.db2.gz AISWUHRNCJDARJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301435 801545007 /nfs/dbraw/zinc/54/50/07/801545007.db2.gz WWEMHKQELPQJMY-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447710 801566791 /nfs/dbraw/zinc/56/67/91/801566791.db2.gz CWGYAOQNISONQB-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447710 801566799 /nfs/dbraw/zinc/56/67/99/801566799.db2.gz CWGYAOQNISONQB-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447710 801566805 /nfs/dbraw/zinc/56/68/05/801566805.db2.gz CWGYAOQNISONQB-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447710 801566807 /nfs/dbraw/zinc/56/68/07/801566807.db2.gz CWGYAOQNISONQB-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715165 802605361 /nfs/dbraw/zinc/60/53/61/802605361.db2.gz DZUBNVZHJPWSSZ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876885 802623103 /nfs/dbraw/zinc/62/31/03/802623103.db2.gz ZSHLTRRUPCLTDH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876885 802623106 /nfs/dbraw/zinc/62/31/06/802623106.db2.gz ZSHLTRRUPCLTDH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876885 802623109 /nfs/dbraw/zinc/62/31/09/802623109.db2.gz ZSHLTRRUPCLTDH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001222929812 802750239 /nfs/dbraw/zinc/75/02/39/802750239.db2.gz OHCAWKDICPILQT-SQNIBIBYSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001330668321 1149246307 /nfs/dbraw/zinc/24/63/07/1149246307.db2.gz UDJLVVOXPFUKPU-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331075616 1149375624 /nfs/dbraw/zinc/37/56/24/1149375624.db2.gz ZEZUXJLLLFWUFA-OAHLLOKOSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331075616 1149375633 /nfs/dbraw/zinc/37/56/33/1149375633.db2.gz ZEZUXJLLLFWUFA-OAHLLOKOSA-N 2 1 318.465 2.469 20 30 DEEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001331297435 1149414042 /nfs/dbraw/zinc/41/40/42/1149414042.db2.gz RLALZYQQSDDUBI-QGZVFWFLSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328782208 1148834221 /nfs/dbraw/zinc/83/42/21/1148834221.db2.gz XTDSRQFTHODWSO-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616954 1058195547 /nfs/dbraw/zinc/19/55/47/1058195547.db2.gz WEZPFVFJIJEKJC-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616954 1058195554 /nfs/dbraw/zinc/19/55/54/1058195554.db2.gz WEZPFVFJIJEKJC-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616954 1058195561 /nfs/dbraw/zinc/19/55/61/1058195561.db2.gz WEZPFVFJIJEKJC-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C[C@H]1C ZINC001459616954 1058195567 /nfs/dbraw/zinc/19/55/67/1058195567.db2.gz WEZPFVFJIJEKJC-FHLIZLRMSA-N 2 1 301.434 2.396 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001501166206 1059344820 /nfs/dbraw/zinc/34/48/20/1059344820.db2.gz KJVGFMQPTHFTCN-MUJYYYPQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001501427629 1059504265 /nfs/dbraw/zinc/50/42/65/1059504265.db2.gz VDMSCMSFYHPCHJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001501427629 1059504286 /nfs/dbraw/zinc/50/42/86/1059504286.db2.gz VDMSCMSFYHPCHJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001501427629 1059504305 /nfs/dbraw/zinc/50/43/05/1059504305.db2.gz VDMSCMSFYHPCHJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCC)CC1 ZINC001502496548 1060152858 /nfs/dbraw/zinc/15/28/58/1060152858.db2.gz YITPYSPQPYKHOO-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCCC)CC1 ZINC001502496548 1060152868 /nfs/dbraw/zinc/15/28/68/1060152868.db2.gz YITPYSPQPYKHOO-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408298 /nfs/dbraw/zinc/40/82/98/1060408298.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408314 /nfs/dbraw/zinc/40/83/14/1060408314.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001502953283 1060408324 /nfs/dbraw/zinc/40/83/24/1060408324.db2.gz VLYDHACQSGWOIW-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)C ZINC001503677691 1060456489 /nfs/dbraw/zinc/45/64/89/1060456489.db2.gz JBMGRDUFJZJVQM-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001505473849 1060642695 /nfs/dbraw/zinc/64/26/95/1060642695.db2.gz ZCTIIOKUJIDGSX-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473849 1060642708 /nfs/dbraw/zinc/64/27/08/1060642708.db2.gz ZCTIIOKUJIDGSX-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473849 1060642724 /nfs/dbraw/zinc/64/27/24/1060642724.db2.gz ZCTIIOKUJIDGSX-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001505513920 1060670889 /nfs/dbraw/zinc/67/08/89/1060670889.db2.gz URWMABOXCZKIAJ-LEOMRAHMSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001479294760 1061370817 /nfs/dbraw/zinc/37/08/17/1061370817.db2.gz ICKBTNRHLGLZRC-OAGGEKHMSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518248 /nfs/dbraw/zinc/51/82/48/1061518248.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518263 /nfs/dbraw/zinc/51/82/63/1061518263.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001479613553 1061518281 /nfs/dbraw/zinc/51/82/81/1061518281.db2.gz NEZDYSPEIZNUAH-OIISXLGYSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001479778305 1061740254 /nfs/dbraw/zinc/74/02/54/1061740254.db2.gz SAXNIWMMRWPIJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001479778305 1061740273 /nfs/dbraw/zinc/74/02/73/1061740273.db2.gz SAXNIWMMRWPIJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001479778305 1061740292 /nfs/dbraw/zinc/74/02/92/1061740292.db2.gz SAXNIWMMRWPIJY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480089058 1062305986 /nfs/dbraw/zinc/30/59/86/1062305986.db2.gz HLNBNOONMYYWIT-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001480161537 1062408426 /nfs/dbraw/zinc/40/84/26/1062408426.db2.gz GDBXZRQWECQBAT-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001506885959 1062471968 /nfs/dbraw/zinc/47/19/68/1062471968.db2.gz XVQCAGATZLQHTD-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480267874 1062569821 /nfs/dbraw/zinc/56/98/21/1062569821.db2.gz STARFOSSLCVIBV-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480267874 1062569844 /nfs/dbraw/zinc/56/98/44/1062569844.db2.gz STARFOSSLCVIBV-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480267874 1062569865 /nfs/dbraw/zinc/56/98/65/1062569865.db2.gz STARFOSSLCVIBV-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001507145124 1062913047 /nfs/dbraw/zinc/91/30/47/1062913047.db2.gz WZDZTIWZJAYYKC-FUHWJXTLSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001507861590 1063441450 /nfs/dbraw/zinc/44/14/50/1063441450.db2.gz CXYIYNVHEJDZCG-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001493850110 1063991235 /nfs/dbraw/zinc/99/12/35/1063991235.db2.gz OPXBFUULXRQLFK-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001567701700 1064358131 /nfs/dbraw/zinc/35/81/31/1064358131.db2.gz NDZAKJFWYNXUNX-AWEZNQCLSA-N 2 1 321.490 2.438 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567774624 1064416020 /nfs/dbraw/zinc/41/60/20/1064416020.db2.gz GCYAENVLGRVWOB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567774624 1064416010 /nfs/dbraw/zinc/41/60/10/1064416010.db2.gz GCYAENVLGRVWOB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567774624 1064416035 /nfs/dbraw/zinc/41/60/35/1064416035.db2.gz GCYAENVLGRVWOB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567924692 1064521808 /nfs/dbraw/zinc/52/18/08/1064521808.db2.gz RYDKNIKYDFOMGK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567924692 1064521821 /nfs/dbraw/zinc/52/18/21/1064521821.db2.gz RYDKNIKYDFOMGK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001568106238 1064649148 /nfs/dbraw/zinc/64/91/48/1064649148.db2.gz PEEOSHNIDFCBLO-BRSBDYLESA-N 2 1 317.477 2.044 20 30 DEEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568669855 1065037031 /nfs/dbraw/zinc/03/70/31/1065037031.db2.gz XMWDZISCJMAMNT-SJLPKXTDSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001495949004 1065190173 /nfs/dbraw/zinc/19/01/73/1065190173.db2.gz MTYCIODJTHZLPH-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001569813455 1065734693 /nfs/dbraw/zinc/73/46/93/1065734693.db2.gz HVGMZGPNBPTHOW-HZPDHXFCSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001496862570 1065761676 /nfs/dbraw/zinc/76/16/76/1065761676.db2.gz KGEUWMFWPGSZHB-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001569866769 1065777220 /nfs/dbraw/zinc/77/72/20/1065777220.db2.gz FRFIWAFQZGDKCZ-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001570255045 1065993367 /nfs/dbraw/zinc/99/33/67/1065993367.db2.gz NRBCTJGIDPCZTN-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570373138 1066038587 /nfs/dbraw/zinc/03/85/87/1066038587.db2.gz KWTSBPLPMDDKCR-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300010 1148517969 /nfs/dbraw/zinc/51/79/69/1148517969.db2.gz RZSLQBXHDWPWDW-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC001576809231 1066694527 /nfs/dbraw/zinc/69/45/27/1066694527.db2.gz QOGGAFSNTQJCFT-RHSMWYFYSA-N 2 1 323.444 2.375 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001499130752 1067110748 /nfs/dbraw/zinc/11/07/48/1067110748.db2.gz BXYOWLBVCFWTFC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@H](C)C1 ZINC001499834827 1067354001 /nfs/dbraw/zinc/35/40/01/1067354001.db2.gz KFDXUAXYTNYZHU-HUUCEWRRSA-N 2 1 304.438 2.278 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001483406010 1078514091 /nfs/dbraw/zinc/51/40/91/1078514091.db2.gz PAGODQKUHZTIMX-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001483406010 1078514095 /nfs/dbraw/zinc/51/40/95/1078514095.db2.gz PAGODQKUHZTIMX-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001483406010 1078514096 /nfs/dbraw/zinc/51/40/96/1078514096.db2.gz PAGODQKUHZTIMX-WMZOPIPTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001483565000 1078600680 /nfs/dbraw/zinc/60/06/80/1078600680.db2.gz ANHKYHFSJJEADQ-QZTJIDSGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736016 1068103177 /nfs/dbraw/zinc/10/31/77/1068103177.db2.gz OXQFABPLAXAQHQ-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736016 1068103180 /nfs/dbraw/zinc/10/31/80/1068103180.db2.gz OXQFABPLAXAQHQ-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001570909987 1068157522 /nfs/dbraw/zinc/15/75/22/1068157522.db2.gz VBCYKUGGVXAPLX-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267200502 1078660606 /nfs/dbraw/zinc/66/06/06/1078660606.db2.gz CSAOXTRZSYYHCD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250068 1078697764 /nfs/dbraw/zinc/69/77/64/1078697764.db2.gz DOPBNAFSSFJKTK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250068 1078697768 /nfs/dbraw/zinc/69/77/68/1078697768.db2.gz DOPBNAFSSFJKTK-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503714 1068364006 /nfs/dbraw/zinc/36/40/06/1068364006.db2.gz UXFUKRSIHRYVHQ-QAPCUYQASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503714 1068364022 /nfs/dbraw/zinc/36/40/22/1068364022.db2.gz UXFUKRSIHRYVHQ-QAPCUYQASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001571503714 1068364037 /nfs/dbraw/zinc/36/40/37/1068364037.db2.gz UXFUKRSIHRYVHQ-QAPCUYQASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503713 1068364882 /nfs/dbraw/zinc/36/48/82/1068364882.db2.gz UXFUKRSIHRYVHQ-MAUKXSAKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503713 1068364892 /nfs/dbraw/zinc/36/48/92/1068364892.db2.gz UXFUKRSIHRYVHQ-MAUKXSAKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001571503713 1068364900 /nfs/dbraw/zinc/36/49/00/1068364900.db2.gz UXFUKRSIHRYVHQ-MAUKXSAKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001571513488 1068372239 /nfs/dbraw/zinc/37/22/39/1068372239.db2.gz SNOKRALEGRDRBR-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001571518469 1068381433 /nfs/dbraw/zinc/38/14/33/1068381433.db2.gz FVUZYVQCDNMMSD-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001571518469 1068381448 /nfs/dbraw/zinc/38/14/48/1068381448.db2.gz FVUZYVQCDNMMSD-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001571518469 1068381468 /nfs/dbraw/zinc/38/14/68/1068381468.db2.gz FVUZYVQCDNMMSD-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001267382114 1078815686 /nfs/dbraw/zinc/81/56/86/1078815686.db2.gz MAGWCFDIOZTQOP-KRWDZBQOSA-N 2 1 312.417 2.215 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001272440338 1078877681 /nfs/dbraw/zinc/87/76/81/1078877681.db2.gz LDEJCSCCUWBAIC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267482394 1078905734 /nfs/dbraw/zinc/90/57/34/1078905734.db2.gz SEZPTENJOLWHSC-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267482394 1078905740 /nfs/dbraw/zinc/90/57/40/1078905740.db2.gz SEZPTENJOLWHSC-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267482394 1078905746 /nfs/dbraw/zinc/90/57/46/1078905746.db2.gz SEZPTENJOLWHSC-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001483882442 1079169779 /nfs/dbraw/zinc/16/97/79/1079169779.db2.gz BERQQEQULZUYRP-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001483882442 1079169775 /nfs/dbraw/zinc/16/97/75/1079169775.db2.gz BERQQEQULZUYRP-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001484000888 1079237151 /nfs/dbraw/zinc/23/71/51/1079237151.db2.gz KJZRYOGZPRQDJL-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484163437 1079337662 /nfs/dbraw/zinc/33/76/62/1079337662.db2.gz JZZHEAVKZOULMA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484163437 1079337666 /nfs/dbraw/zinc/33/76/66/1079337666.db2.gz JZZHEAVKZOULMA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484163437 1079337670 /nfs/dbraw/zinc/33/76/70/1079337670.db2.gz JZZHEAVKZOULMA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222124 /nfs/dbraw/zinc/22/21/24/1075222124.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222125 /nfs/dbraw/zinc/22/21/25/1075222125.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001566055489 1075222127 /nfs/dbraw/zinc/22/21/27/1075222127.db2.gz XIZMQUMGSNIHAH-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566805600 1075349720 /nfs/dbraw/zinc/34/97/20/1075349720.db2.gz RHQYZGXODZICBT-SHTZXODSSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566906060 1075380273 /nfs/dbraw/zinc/38/02/73/1075380273.db2.gz IBUYSGLDMWGDAE-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566914183 1075383281 /nfs/dbraw/zinc/38/32/81/1075383281.db2.gz YSADBOVELJRFBR-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412723 1079598846 /nfs/dbraw/zinc/59/88/46/1079598846.db2.gz UGNOPIXBKBZGDC-CALCHBBNSA-N 2 1 309.498 2.299 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267971246 1079651449 /nfs/dbraw/zinc/65/14/49/1079651449.db2.gz RIUYWDYBOQVAQF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268001151 1079683609 /nfs/dbraw/zinc/68/36/09/1079683609.db2.gz WVHIJTHRCXYTGO-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001484725506 1079749275 /nfs/dbraw/zinc/74/92/75/1079749275.db2.gz BIEIEQCCVSAJQC-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001484725506 1079749278 /nfs/dbraw/zinc/74/92/78/1079749278.db2.gz BIEIEQCCVSAJQC-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001484725506 1079749288 /nfs/dbraw/zinc/74/92/88/1079749288.db2.gz BIEIEQCCVSAJQC-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001484927722 1079859240 /nfs/dbraw/zinc/85/92/40/1079859240.db2.gz ZFRBEAYTVKLGPW-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481449284 1079869218 /nfs/dbraw/zinc/86/92/18/1079869218.db2.gz BQIJRPWUNKQOQW-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001268042042 1079911754 /nfs/dbraw/zinc/91/17/54/1079911754.db2.gz JZNPUSVYBFPJFO-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073015 1079957560 /nfs/dbraw/zinc/95/75/60/1079957560.db2.gz NEOBTPBDTKHFNW-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268084449 1080039751 /nfs/dbraw/zinc/03/97/51/1080039751.db2.gz FVNSMNBMIZZDFQ-YOEHRIQHSA-N 2 1 313.461 2.212 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCC)CC1 ZINC001656108947 1080048328 /nfs/dbraw/zinc/04/83/28/1080048328.db2.gz ARTYAJVEBZJYQN-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001268138020 1080105411 /nfs/dbraw/zinc/10/54/11/1080105411.db2.gz OSHZCOLPMIBYPA-QZTJIDSGSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001657044327 1080149820 /nfs/dbraw/zinc/14/98/20/1080149820.db2.gz SCDOGBXESSEHSS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982011649 1080182708 /nfs/dbraw/zinc/18/27/08/1080182708.db2.gz HGLNJYMOFNBGQB-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011649 1080182718 /nfs/dbraw/zinc/18/27/18/1080182718.db2.gz HGLNJYMOFNBGQB-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011649 1080182725 /nfs/dbraw/zinc/18/27/25/1080182725.db2.gz HGLNJYMOFNBGQB-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568571 1080301293 /nfs/dbraw/zinc/30/12/93/1080301293.db2.gz CUIHIPOLHQFUQW-HUUCEWRRSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568571 1080301298 /nfs/dbraw/zinc/30/12/98/1080301298.db2.gz CUIHIPOLHQFUQW-HUUCEWRRSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585255 1080315432 /nfs/dbraw/zinc/31/54/32/1080315432.db2.gz KSBJQQHSYUQUPV-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481708164 1080335747 /nfs/dbraw/zinc/33/57/47/1080335747.db2.gz IXNWWOIGAFKSEY-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481708164 1080335754 /nfs/dbraw/zinc/33/57/54/1080335754.db2.gz IXNWWOIGAFKSEY-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481708164 1080335764 /nfs/dbraw/zinc/33/57/64/1080335764.db2.gz IXNWWOIGAFKSEY-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001485628811 1080340872 /nfs/dbraw/zinc/34/08/72/1080340872.db2.gz MYECVVULCCJCGW-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001485628811 1080340878 /nfs/dbraw/zinc/34/08/78/1080340878.db2.gz MYECVVULCCJCGW-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001485628811 1080340881 /nfs/dbraw/zinc/34/08/81/1080340881.db2.gz MYECVVULCCJCGW-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001485658361 1080350099 /nfs/dbraw/zinc/35/00/99/1080350099.db2.gz SFDJAPGYLUMQDQ-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001660719301 1080385305 /nfs/dbraw/zinc/38/53/05/1080385305.db2.gz LTWGRSTZHFWONY-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001661236038 1080461547 /nfs/dbraw/zinc/46/15/47/1080461547.db2.gz SCLYJKFRMZSWSP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661236038 1080461553 /nfs/dbraw/zinc/46/15/53/1080461553.db2.gz SCLYJKFRMZSWSP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001661236038 1080461557 /nfs/dbraw/zinc/46/15/57/1080461557.db2.gz SCLYJKFRMZSWSP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661740383 1080517047 /nfs/dbraw/zinc/51/70/47/1080517047.db2.gz ZGILHHAUDJMUOB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661740383 1080517050 /nfs/dbraw/zinc/51/70/50/1080517050.db2.gz ZGILHHAUDJMUOB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661740383 1080517052 /nfs/dbraw/zinc/51/70/52/1080517052.db2.gz ZGILHHAUDJMUOB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099553885 1080524736 /nfs/dbraw/zinc/52/47/36/1080524736.db2.gz WLSLEGYJGVLOKE-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099553885 1080524742 /nfs/dbraw/zinc/52/47/42/1080524742.db2.gz WLSLEGYJGVLOKE-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099553885 1080524746 /nfs/dbraw/zinc/52/47/46/1080524746.db2.gz WLSLEGYJGVLOKE-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001662863823 1080669208 /nfs/dbraw/zinc/66/92/08/1080669208.db2.gz ZPNCXFDUEWYPDD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001662863823 1080669214 /nfs/dbraw/zinc/66/92/14/1080669214.db2.gz ZPNCXFDUEWYPDD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001662863823 1080669221 /nfs/dbraw/zinc/66/92/21/1080669221.db2.gz ZPNCXFDUEWYPDD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862248 1080669370 /nfs/dbraw/zinc/66/93/70/1080669370.db2.gz KGMODMHRKVFGPI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662862248 1080669377 /nfs/dbraw/zinc/66/93/77/1080669377.db2.gz KGMODMHRKVFGPI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662862248 1080669384 /nfs/dbraw/zinc/66/93/84/1080669384.db2.gz KGMODMHRKVFGPI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001481992112 1080675460 /nfs/dbraw/zinc/67/54/60/1080675460.db2.gz UYFWQYDEWVIGNB-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482022926 1080693480 /nfs/dbraw/zinc/69/34/80/1080693480.db2.gz SSIVCGDJLWZLLF-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742189 1080963253 /nfs/dbraw/zinc/96/32/53/1080963253.db2.gz FGVYIGZCGDHQTM-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742189 1080963256 /nfs/dbraw/zinc/96/32/56/1080963256.db2.gz FGVYIGZCGDHQTM-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268742413 1080963526 /nfs/dbraw/zinc/96/35/26/1080963526.db2.gz HOUFMRNCOGONQJ-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268742413 1080963531 /nfs/dbraw/zinc/96/35/31/1080963531.db2.gz HOUFMRNCOGONQJ-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268742413 1080963536 /nfs/dbraw/zinc/96/35/36/1080963536.db2.gz HOUFMRNCOGONQJ-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268746504 1080966638 /nfs/dbraw/zinc/96/66/38/1080966638.db2.gz KOYYNKNTKQVDLY-MRXNPFEDSA-N 2 1 317.477 2.417 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001665078300 1080989320 /nfs/dbraw/zinc/98/93/20/1080989320.db2.gz WABFHXKUWZYDEP-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268978915 1081072672 /nfs/dbraw/zinc/07/26/72/1081072672.db2.gz OVDMXGVJWMGBMN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001268978915 1081072676 /nfs/dbraw/zinc/07/26/76/1081072676.db2.gz OVDMXGVJWMGBMN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001268978915 1081072683 /nfs/dbraw/zinc/07/26/83/1081072683.db2.gz OVDMXGVJWMGBMN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001268979195 1081073280 /nfs/dbraw/zinc/07/32/80/1081073280.db2.gz ZKGMXBSPTKOCDB-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCC1 ZINC001665952288 1081101383 /nfs/dbraw/zinc/10/13/83/1081101383.db2.gz VIDBKCFURASYFF-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001666214769 1081134320 /nfs/dbraw/zinc/13/43/20/1081134320.db2.gz PKNZHJXDYBHLCU-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001269356560 1081225817 /nfs/dbraw/zinc/22/58/17/1081225817.db2.gz RMBNTEDCUWDEEA-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001667738620 1081283111 /nfs/dbraw/zinc/28/31/11/1081283111.db2.gz OANMMDBMCOPWSU-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744370 1081353370 /nfs/dbraw/zinc/35/33/70/1081353370.db2.gz CHMOYOFPTAHPPQ-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H](C)C1 ZINC001269971357 1081413150 /nfs/dbraw/zinc/41/31/50/1081413150.db2.gz GNQOZNMPLDVGEL-ZWKOTPCHSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001270728391 1081617352 /nfs/dbraw/zinc/61/73/52/1081617352.db2.gz VKSBYEUVJZTIAK-QAPCUYQASA-N 2 1 318.465 2.411 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001672814991 1081629388 /nfs/dbraw/zinc/62/93/88/1081629388.db2.gz CLAVMUCAIOUAGJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673933293 1081814863 /nfs/dbraw/zinc/81/48/63/1081814863.db2.gz HAHPTDZDCQLPPU-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673933293 1081814872 /nfs/dbraw/zinc/81/48/72/1081814872.db2.gz HAHPTDZDCQLPPU-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001674348694 1081863667 /nfs/dbraw/zinc/86/36/67/1081863667.db2.gz ZSMSNJBBWCDZAR-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001674348694 1081863669 /nfs/dbraw/zinc/86/36/69/1081863669.db2.gz ZSMSNJBBWCDZAR-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001674348694 1081863671 /nfs/dbraw/zinc/86/36/71/1081863671.db2.gz ZSMSNJBBWCDZAR-UHFFFAOYSA-N 2 1 321.509 2.158 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674463900 1081874963 /nfs/dbraw/zinc/87/49/63/1081874963.db2.gz VNSZKPUKYIGJCT-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001674462990 1081875113 /nfs/dbraw/zinc/87/51/13/1081875113.db2.gz CTRMDVYNCGJSPN-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001674462990 1081875118 /nfs/dbraw/zinc/87/51/18/1081875118.db2.gz CTRMDVYNCGJSPN-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001674462990 1081875125 /nfs/dbraw/zinc/87/51/25/1081875125.db2.gz CTRMDVYNCGJSPN-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505504 1081883919 /nfs/dbraw/zinc/88/39/19/1081883919.db2.gz OLEAHAATSHSXIC-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362035 1081999476 /nfs/dbraw/zinc/99/94/76/1081999476.db2.gz XCGRPYGABYJSQL-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362035 1081999483 /nfs/dbraw/zinc/99/94/83/1081999483.db2.gz XCGRPYGABYJSQL-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266466395 1082055497 /nfs/dbraw/zinc/05/54/97/1082055497.db2.gz NYMUGPZSJHDMCH-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266486214 1082069632 /nfs/dbraw/zinc/06/96/32/1082069632.db2.gz MNYZOQRCZSQDGY-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001266599805 1082185822 /nfs/dbraw/zinc/18/58/22/1082185822.db2.gz XOTJLNLTAGPZGJ-ULQDDVLXSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001266599805 1082185825 /nfs/dbraw/zinc/18/58/25/1082185825.db2.gz XOTJLNLTAGPZGJ-ULQDDVLXSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564604 1082201072 /nfs/dbraw/zinc/20/10/72/1082201072.db2.gz SXMIJNXNUBGUAR-RDJZCZTQSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024564 1082291672 /nfs/dbraw/zinc/29/16/72/1082291672.db2.gz QBFOZODDWXTGHR-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024564 1082291678 /nfs/dbraw/zinc/29/16/78/1082291678.db2.gz QBFOZODDWXTGHR-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459215 1082302373 /nfs/dbraw/zinc/30/23/73/1082302373.db2.gz XFOKLDKRNUIRBX-UHFFFAOYSA-N 2 1 318.465 2.424 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266749904 1082318572 /nfs/dbraw/zinc/31/85/72/1082318572.db2.gz OGRYLSXILWSQHE-AEFFLSMTSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266852958 1082396238 /nfs/dbraw/zinc/39/62/38/1082396238.db2.gz BXZHPVSOLLEPSR-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001482841698 1082526967 /nfs/dbraw/zinc/52/69/67/1082526967.db2.gz LXLIJHKLPVUVQL-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001482841698 1082526969 /nfs/dbraw/zinc/52/69/69/1082526969.db2.gz LXLIJHKLPVUVQL-IRXDYDNUSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438947 1083396570 /nfs/dbraw/zinc/39/65/70/1083396570.db2.gz NPLIKROISLASOI-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438947 1083396579 /nfs/dbraw/zinc/39/65/79/1083396579.db2.gz NPLIKROISLASOI-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438947 1083396592 /nfs/dbraw/zinc/39/65/92/1083396592.db2.gz NPLIKROISLASOI-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cnn3ccc(C#N)cc13)CC2 ZINC001277415833 1083957576 /nfs/dbraw/zinc/95/75/76/1083957576.db2.gz AWJKZCDHMQDULI-UHFFFAOYSA-N 2 1 309.417 2.124 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001491026528 1084021787 /nfs/dbraw/zinc/02/17/87/1084021787.db2.gz ONAVZNWPQIBXFV-GELVUNECSA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001491026528 1084021795 /nfs/dbraw/zinc/02/17/95/1084021795.db2.gz ONAVZNWPQIBXFV-GELVUNECSA-N 2 1 317.477 2.067 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302833 1084222950 /nfs/dbraw/zinc/22/29/50/1084222950.db2.gz ZDWDOZKUOQVPHL-ZBFHGGJFSA-N 2 1 318.465 2.444 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888408 1084427793 /nfs/dbraw/zinc/42/77/93/1084427793.db2.gz XZOQVANBIDMWPS-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235511800 1084451465 /nfs/dbraw/zinc/45/14/65/1084451465.db2.gz HABIOQMGSMSZOJ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235511800 1084451473 /nfs/dbraw/zinc/45/14/73/1084451473.db2.gz HABIOQMGSMSZOJ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235511800 1084451478 /nfs/dbraw/zinc/45/14/78/1084451478.db2.gz HABIOQMGSMSZOJ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485960620 1085022337 /nfs/dbraw/zinc/02/23/37/1085022337.db2.gz JGDLGTSKPVDXAO-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001486403249 1085289747 /nfs/dbraw/zinc/28/97/47/1085289747.db2.gz AZUCBMZCFDGRGB-OAHLLOKOSA-N 2 1 306.454 2.278 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000963825491 1086568944 /nfs/dbraw/zinc/56/89/44/1086568944.db2.gz PHNSCUGKJAMFAQ-AOCRQIFASA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144803 1086812898 /nfs/dbraw/zinc/81/28/98/1086812898.db2.gz SQNFUSDRULYZOJ-SJORKVTESA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080329903 1088806411 /nfs/dbraw/zinc/80/64/11/1088806411.db2.gz WKRAZHSWVFCYIH-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001080329903 1088806434 /nfs/dbraw/zinc/80/64/34/1088806434.db2.gz WKRAZHSWVFCYIH-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001080329903 1088806443 /nfs/dbraw/zinc/80/64/43/1088806443.db2.gz WKRAZHSWVFCYIH-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114832000 1088919420 /nfs/dbraw/zinc/91/94/20/1088919420.db2.gz JOLQFOAQZPRITJ-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832000 1088919437 /nfs/dbraw/zinc/91/94/37/1088919437.db2.gz JOLQFOAQZPRITJ-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832000 1088919448 /nfs/dbraw/zinc/91/94/48/1088919448.db2.gz JOLQFOAQZPRITJ-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572021 1090331972 /nfs/dbraw/zinc/33/19/72/1090331972.db2.gz QRDLSQLNULETFB-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964563 1090550056 /nfs/dbraw/zinc/55/00/56/1090550056.db2.gz GOMXVLLZNAIQOM-SQNIBIBYSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCN1CC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274267312 1091158684 /nfs/dbraw/zinc/15/86/84/1091158684.db2.gz DBUPGWQEERWHAE-SFHVURJKSA-N 2 1 310.401 2.173 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001274950708 1091487205 /nfs/dbraw/zinc/48/72/05/1091487205.db2.gz UFYNLVSPOITEFK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001274950708 1091487216 /nfs/dbraw/zinc/48/72/16/1091487216.db2.gz UFYNLVSPOITEFK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001274950708 1091487223 /nfs/dbraw/zinc/48/72/23/1091487223.db2.gz UFYNLVSPOITEFK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001275573693 1091878421 /nfs/dbraw/zinc/87/84/21/1091878421.db2.gz GITXHRWITILZIJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001275573693 1091878428 /nfs/dbraw/zinc/87/84/28/1091878428.db2.gz GITXHRWITILZIJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCCC1 ZINC001275573693 1091878433 /nfs/dbraw/zinc/87/84/33/1091878433.db2.gz GITXHRWITILZIJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCCC1 ZINC001275573693 1091878439 /nfs/dbraw/zinc/87/84/39/1091878439.db2.gz GITXHRWITILZIJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001280744644 1092107299 /nfs/dbraw/zinc/10/72/99/1092107299.db2.gz NOBDOKXMIWRWED-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCCC[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275975425 1092415272 /nfs/dbraw/zinc/41/52/72/1092415272.db2.gz CFKAJTOEEMWPRK-IBGZPJMESA-N 2 1 314.477 2.475 20 30 DEEDMP C#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275975425 1092415281 /nfs/dbraw/zinc/41/52/81/1092415281.db2.gz CFKAJTOEEMWPRK-IBGZPJMESA-N 2 1 314.477 2.475 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001276011054 1092505619 /nfs/dbraw/zinc/50/56/19/1092505619.db2.gz KZYHYBVHJFXQDG-IRXDYDNUSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001489282599 1093016001 /nfs/dbraw/zinc/01/60/01/1093016001.db2.gz LNOOWTBJYNWAPU-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001489282599 1093016006 /nfs/dbraw/zinc/01/60/06/1093016006.db2.gz LNOOWTBJYNWAPU-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001489282599 1093016011 /nfs/dbraw/zinc/01/60/11/1093016011.db2.gz LNOOWTBJYNWAPU-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001490372574 1093328662 /nfs/dbraw/zinc/32/86/62/1093328662.db2.gz SSHHASYZQHCKOP-UHFFFAOYSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490586579 1093432114 /nfs/dbraw/zinc/43/21/14/1093432114.db2.gz HUNYVQRIUKCMLN-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001274124939 1093809208 /nfs/dbraw/zinc/80/92/08/1093809208.db2.gz LIZRWVXJCRUKOM-XLYSIVADSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318446182 1140334021 /nfs/dbraw/zinc/33/40/21/1140334021.db2.gz TYUMLAXDFMLKAI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318446182 1140334030 /nfs/dbraw/zinc/33/40/30/1140334030.db2.gz TYUMLAXDFMLKAI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318446182 1140334036 /nfs/dbraw/zinc/33/40/36/1140334036.db2.gz TYUMLAXDFMLKAI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001318916554 1140467000 /nfs/dbraw/zinc/46/70/00/1140467000.db2.gz BJXKHMASBWOPFH-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001319823675 1140744982 /nfs/dbraw/zinc/74/49/82/1140744982.db2.gz CUFUSAMOEOPHDF-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001319876086 1140793968 /nfs/dbraw/zinc/79/39/68/1140793968.db2.gz GRWACKQGYBTSBF-GOSISDBHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001246304140 1140883067 /nfs/dbraw/zinc/88/30/67/1140883067.db2.gz JKYUDEGPVUXLIW-PMPSAXMXSA-N 2 1 314.470 2.397 20 30 DEEDMP N#Cc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246441878 1140899254 /nfs/dbraw/zinc/89/92/54/1140899254.db2.gz KSSCMASITIQJCO-FHWLQOOXSA-N 3 1 312.461 2.382 20 30 DEEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001246441878 1140899255 /nfs/dbraw/zinc/89/92/55/1140899255.db2.gz KSSCMASITIQJCO-FHWLQOOXSA-N 3 1 312.461 2.382 20 30 DEEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246527357 1140936308 /nfs/dbraw/zinc/93/63/08/1140936308.db2.gz TUOBRGWLENVIRQ-INIZCTEOSA-N 2 1 321.465 2.239 20 30 DEEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC001246527357 1140936319 /nfs/dbraw/zinc/93/63/19/1140936319.db2.gz TUOBRGWLENVIRQ-INIZCTEOSA-N 2 1 321.465 2.239 20 30 DEEDMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001248194648 1141723507 /nfs/dbraw/zinc/72/35/07/1141723507.db2.gz MJYJUURRVDHBBR-AWEZNQCLSA-N 2 1 317.368 2.479 20 30 DEEDMP N#Cc1cc(F)cc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248895199 1141831828 /nfs/dbraw/zinc/83/18/28/1141831828.db2.gz BHMNHPZDRSIWQB-CQSZACIVSA-N 2 1 315.352 2.137 20 30 DEEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001323735861 1141881704 /nfs/dbraw/zinc/88/17/04/1141881704.db2.gz FGAPLTFKYWJWJV-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001323735861 1141881705 /nfs/dbraw/zinc/88/17/05/1141881705.db2.gz FGAPLTFKYWJWJV-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001323735861 1141881706 /nfs/dbraw/zinc/88/17/06/1141881706.db2.gz FGAPLTFKYWJWJV-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001329624742 1148946318 /nfs/dbraw/zinc/94/63/18/1148946318.db2.gz STRNJBALAHKQMW-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001329624742 1148946344 /nfs/dbraw/zinc/94/63/44/1148946344.db2.gz STRNJBALAHKQMW-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001329624742 1148946361 /nfs/dbraw/zinc/94/63/61/1148946361.db2.gz STRNJBALAHKQMW-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC001336782033 1142569730 /nfs/dbraw/zinc/56/97/30/1142569730.db2.gz WVQSYBFYGIEDTM-IBGZPJMESA-N 2 1 300.446 2.057 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001278662477 1142693968 /nfs/dbraw/zinc/69/39/68/1142693968.db2.gz CGZYRANESALAND-DOTOQJQBSA-N 2 1 313.461 2.071 20 30 DEEDMP C=CCOC[C@@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001252496720 1142735677 /nfs/dbraw/zinc/73/56/77/1142735677.db2.gz DFWYTKQTUBBRTG-SFHVURJKSA-N 2 1 318.461 2.194 20 30 DEEDMP C=C[C@H](O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587579 1142883051 /nfs/dbraw/zinc/88/30/51/1142883051.db2.gz DLVRIWQQYDNKFJ-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587579 1142883052 /nfs/dbraw/zinc/88/30/52/1142883052.db2.gz DLVRIWQQYDNKFJ-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@H](O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001253587579 1142883053 /nfs/dbraw/zinc/88/30/53/1142883053.db2.gz DLVRIWQQYDNKFJ-OTWHNJEPSA-N 2 1 300.446 2.377 20 30 DEEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001341497890 1143616706 /nfs/dbraw/zinc/61/67/06/1143616706.db2.gz SERYBCMOXMUEPE-OAHLLOKOSA-N 2 1 315.421 2.422 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)C)C1 ZINC001263863724 1144415612 /nfs/dbraw/zinc/41/56/12/1144415612.db2.gz BJNSKVTWSKKDRE-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)C)C1 ZINC001263863724 1144415608 /nfs/dbraw/zinc/41/56/08/1144415608.db2.gz BJNSKVTWSKKDRE-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264030608 1144444929 /nfs/dbraw/zinc/44/49/29/1144444929.db2.gz UEDXTOUHUQRWHE-PVAVHDDUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264194833 1144503709 /nfs/dbraw/zinc/50/37/09/1144503709.db2.gz GMESRFBAFVUERZ-JKSUJKDBSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001264424398 1144536644 /nfs/dbraw/zinc/53/66/44/1144536644.db2.gz GWBIWXAXSMWGLG-QBPKDAKJSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264479037 1144545720 /nfs/dbraw/zinc/54/57/20/1144545720.db2.gz ZENXCDWSDBUNAU-IXDOHACOSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658131 1144586772 /nfs/dbraw/zinc/58/67/72/1144586772.db2.gz CQNSSBHNCDJPKG-KSZLIROESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658131 1144586774 /nfs/dbraw/zinc/58/67/74/1144586774.db2.gz CQNSSBHNCDJPKG-KSZLIROESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658131 1144586777 /nfs/dbraw/zinc/58/67/77/1144586777.db2.gz CQNSSBHNCDJPKG-KSZLIROESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264682130 1144592552 /nfs/dbraw/zinc/59/25/52/1144592552.db2.gz QNWUVMIFKGNHTM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001265397257 1144702009 /nfs/dbraw/zinc/70/20/09/1144702009.db2.gz VCLMPGHBSVJTOW-OAHLLOKOSA-N 2 1 304.438 2.089 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265626104 1144719159 /nfs/dbraw/zinc/71/91/59/1144719159.db2.gz OCGXEQNDYXOKNT-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266067098 1144802163 /nfs/dbraw/zinc/80/21/63/1144802163.db2.gz IOZFQCLNDIAIJO-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266099370 1144805155 /nfs/dbraw/zinc/80/51/55/1144805155.db2.gz FDIXOXALSNPMJP-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001280864499 1144860294 /nfs/dbraw/zinc/86/02/94/1144860294.db2.gz PRQTWWGVUZZRSP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001280864499 1144860296 /nfs/dbraw/zinc/86/02/96/1144860296.db2.gz PRQTWWGVUZZRSP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001280864499 1144860297 /nfs/dbraw/zinc/86/02/97/1144860297.db2.gz PRQTWWGVUZZRSP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281459138 1144891122 /nfs/dbraw/zinc/89/11/22/1144891122.db2.gz XHCDJWFULCGOBK-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316614071 1144913175 /nfs/dbraw/zinc/91/31/75/1144913175.db2.gz CVTBXSKQSPSXBO-OVYGPGRDSA-N 2 1 307.482 2.166 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001282260152 1145025477 /nfs/dbraw/zinc/02/54/77/1145025477.db2.gz BJIKYGRCANDRCJ-ADKAHSJRSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC/C=C/CC)CC1 ZINC001282497411 1145080154 /nfs/dbraw/zinc/08/01/54/1145080154.db2.gz OFSORSUHFUMLFH-IWAYRVGRSA-N 2 1 319.493 2.124 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001282640281 1145106805 /nfs/dbraw/zinc/10/68/05/1145106805.db2.gz WCPYMXAIGWUREV-IXDOHACOSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282996259 1145229030 /nfs/dbraw/zinc/22/90/30/1145229030.db2.gz LUJONXOCZOXDBN-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282996259 1145229037 /nfs/dbraw/zinc/22/90/37/1145229037.db2.gz LUJONXOCZOXDBN-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282996259 1145229044 /nfs/dbraw/zinc/22/90/44/1145229044.db2.gz LUJONXOCZOXDBN-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001283101134 1145266975 /nfs/dbraw/zinc/26/69/75/1145266975.db2.gz DKLMUPRFWOTUMA-QBPKDAKJSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001283650226 1145561553 /nfs/dbraw/zinc/56/15/53/1145561553.db2.gz ULWWCAXIPLWDTG-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501856 1147535788 /nfs/dbraw/zinc/53/57/88/1147535788.db2.gz MHCVNLCDBNWMFZ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317501856 1147535794 /nfs/dbraw/zinc/53/57/94/1147535794.db2.gz MHCVNLCDBNWMFZ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317501856 1147535805 /nfs/dbraw/zinc/53/58/05/1147535805.db2.gz MHCVNLCDBNWMFZ-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316902871 1147627639 /nfs/dbraw/zinc/62/76/39/1147627639.db2.gz LSCVQRHGJPQHJY-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001316902871 1147627640 /nfs/dbraw/zinc/62/76/40/1147627640.db2.gz LSCVQRHGJPQHJY-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH+](CC)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001316902871 1147627642 /nfs/dbraw/zinc/62/76/42/1147627642.db2.gz LSCVQRHGJPQHJY-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994391 1147645851 /nfs/dbraw/zinc/64/58/51/1147645851.db2.gz HXZBBHKOQPIFEO-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316998231 1147646822 /nfs/dbraw/zinc/64/68/22/1147646822.db2.gz KLINSAUDLNSJFL-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001317045801 1147652640 /nfs/dbraw/zinc/65/26/40/1147652640.db2.gz WXLLVHRKNKTUOD-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001367215931 1147665251 /nfs/dbraw/zinc/66/52/51/1147665251.db2.gz QPARFNCLBMLSCF-MRXNPFEDSA-N 2 1 321.852 2.097 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203861 1147676262 /nfs/dbraw/zinc/67/62/62/1147676262.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001317203861 1147676264 /nfs/dbraw/zinc/67/62/64/1147676264.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001317203861 1147676265 /nfs/dbraw/zinc/67/62/65/1147676265.db2.gz APIQINQMPZNLOM-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001317222158 1147679295 /nfs/dbraw/zinc/67/92/95/1147679295.db2.gz XCULYGRFLLDFRM-UHFFFAOYSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324656252 1147826273 /nfs/dbraw/zinc/82/62/73/1147826273.db2.gz LXOIQEDGAJYOKJ-DOTOQJQBSA-N 2 1 304.438 2.381 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324752222 1147840019 /nfs/dbraw/zinc/84/00/19/1147840019.db2.gz PWVMZHIKXRZFMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001325656016 1147977773 /nfs/dbraw/zinc/97/77/73/1147977773.db2.gz JRYIFWYMPWBUDA-WKILWMFISA-N 2 1 307.482 2.169 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC1CC1 ZINC000262670282 530039217 /nfs/dbraw/zinc/03/92/17/530039217.db2.gz PDRZXJXBTOOJPM-WFASDCNBSA-N 2 1 306.479 2.458 20 30 DEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000329412916 539919960 /nfs/dbraw/zinc/91/99/60/539919960.db2.gz CEQLYRJTRCQPFK-OKILXGFUSA-N 2 1 324.469 2.114 20 30 DEEDMP C[NH+]1CCC[C@H]1C(=O)NCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000329412916 539919953 /nfs/dbraw/zinc/91/99/53/539919953.db2.gz CEQLYRJTRCQPFK-OKILXGFUSA-N 2 1 324.469 2.114 20 30 DEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000329412916 539919956 /nfs/dbraw/zinc/91/99/56/539919956.db2.gz CEQLYRJTRCQPFK-OKILXGFUSA-N 2 1 324.469 2.114 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000066242689 354705409 /nfs/dbraw/zinc/70/54/09/354705409.db2.gz PSJDZUJDQIVLDM-INIZCTEOSA-N 2 1 304.438 2.168 20 30 DEEDMP CN(CC[N@@H+](C)CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000595391704 358438784 /nfs/dbraw/zinc/43/87/84/358438784.db2.gz NLFKLPYOCOZJAK-UHFFFAOYSA-N 2 1 314.477 2.059 20 30 DEEDMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592310 359253970 /nfs/dbraw/zinc/25/39/70/359253970.db2.gz JHYXMVXCPHTTCA-CVEARBPZSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592310 359253972 /nfs/dbraw/zinc/25/39/72/359253972.db2.gz JHYXMVXCPHTTCA-CVEARBPZSA-N 2 1 316.449 2.425 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000442795909 238078593 /nfs/dbraw/zinc/07/85/93/238078593.db2.gz SJOANCDHSCENJO-AKHDSKFASA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000442795909 238078594 /nfs/dbraw/zinc/07/85/94/238078594.db2.gz SJOANCDHSCENJO-AKHDSKFASA-N 2 1 313.445 2.151 20 30 DEEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110627 360704251 /nfs/dbraw/zinc/70/42/51/360704251.db2.gz NGCROGOUOODXKQ-KRWDZBQOSA-N 2 1 322.497 2.192 20 30 DEEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000120034394 195084256 /nfs/dbraw/zinc/08/42/56/195084256.db2.gz ZSFPBPBRTAPPSP-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000120034394 195084257 /nfs/dbraw/zinc/08/42/57/195084257.db2.gz ZSFPBPBRTAPPSP-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000121652317 195324086 /nfs/dbraw/zinc/32/40/86/195324086.db2.gz AVMFIXIZKXMGSW-UHFFFAOYSA-N 2 1 314.433 2.160 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659094 145188561 /nfs/dbraw/zinc/18/85/61/145188561.db2.gz VRKIPKLVRNXTHP-MAUKXSAKSA-N 2 1 318.465 2.123 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@@H](C)C1 ZINC000249659094 145188563 /nfs/dbraw/zinc/18/85/63/145188563.db2.gz VRKIPKLVRNXTHP-MAUKXSAKSA-N 2 1 318.465 2.123 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000136084905 401959961 /nfs/dbraw/zinc/95/99/61/401959961.db2.gz ISHVTHMPQVPYPD-HZPDHXFCSA-N 2 1 304.438 2.191 20 30 DEEDMP C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000136084905 401959965 /nfs/dbraw/zinc/95/99/65/401959965.db2.gz ISHVTHMPQVPYPD-HZPDHXFCSA-N 2 1 304.438 2.191 20 30 DEEDMP CCSc1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)ccn1 ZINC000186883096 402469327 /nfs/dbraw/zinc/46/93/27/402469327.db2.gz WRTVHWDDWXZQEB-CQSZACIVSA-N 2 1 321.494 2.082 20 30 DEEDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCC#N)cc1 ZINC000181560765 402649822 /nfs/dbraw/zinc/64/98/22/402649822.db2.gz HSIKOPLLPDBCGE-HNNXBMFYSA-N 2 1 317.433 2.086 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)C(C)C ZINC000195129298 402833022 /nfs/dbraw/zinc/83/30/22/402833022.db2.gz QOBUOGSECGHOQA-SJORKVTESA-N 2 1 322.497 2.078 20 30 DEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266941502 403001562 /nfs/dbraw/zinc/00/15/62/403001562.db2.gz RKYOPCNBAGXERL-ZFWWWQNUSA-N 2 1 323.400 2.488 20 30 DEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266941502 403001563 /nfs/dbraw/zinc/00/15/63/403001563.db2.gz RKYOPCNBAGXERL-ZFWWWQNUSA-N 2 1 323.400 2.488 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645539 403102581 /nfs/dbraw/zinc/10/25/81/403102581.db2.gz FKPIMCWYOVHUOO-IEBWSBKVSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645539 403102583 /nfs/dbraw/zinc/10/25/83/403102583.db2.gz FKPIMCWYOVHUOO-IEBWSBKVSA-N 2 1 313.445 2.399 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000285899881 403406264 /nfs/dbraw/zinc/40/62/64/403406264.db2.gz CPVXGKLIRLUWSG-HNNXBMFYSA-N 2 1 305.422 2.041 20 30 DEEDMP CC(C)c1[nH+]ccn1CCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000345107301 404552847 /nfs/dbraw/zinc/55/28/47/404552847.db2.gz CRNNNOSFBYGEST-UHFFFAOYSA-N 2 1 319.453 2.091 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000358387671 404761023 /nfs/dbraw/zinc/76/10/23/404761023.db2.gz UHOPPBPRRVGDTG-UHFFFAOYSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420344761 405327159 /nfs/dbraw/zinc/32/71/59/405327159.db2.gz UROYNOAJNBZOPU-CALCHBBNSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CCOCCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976519 405418722 /nfs/dbraw/zinc/41/87/22/405418722.db2.gz HDXQNTFPZUERFN-UHFFFAOYSA-N 2 1 309.498 2.071 20 30 DEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560525510 405841001 /nfs/dbraw/zinc/84/10/01/405841001.db2.gz PKAOPKWTDKPBDZ-QGZVFWFLSA-N 2 1 312.461 2.458 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000569803958 406304949 /nfs/dbraw/zinc/30/49/49/406304949.db2.gz GTCPLBAIUWYVEC-BPQIPLTHSA-N 2 1 318.461 2.227 20 30 DEEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000490924180 406507836 /nfs/dbraw/zinc/50/78/36/406507836.db2.gz OERYGLOCNGBVKB-KRWDZBQOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(F)cc1 ZINC000491523829 406610496 /nfs/dbraw/zinc/61/04/96/406610496.db2.gz HNQYFCLTPQPZKP-JKSUJKDBSA-N 2 1 302.397 2.098 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805092 406896691 /nfs/dbraw/zinc/89/66/91/406896691.db2.gz MOTMSIYQZMJMSO-QEJZJMRPSA-N 2 1 321.490 2.367 20 30 DEEDMP C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310744 227211836 /nfs/dbraw/zinc/21/18/36/227211836.db2.gz CXDNWILBERIMGZ-IAGOWNOFSA-N 2 1 306.498 2.274 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655425 425193836 /nfs/dbraw/zinc/19/38/36/425193836.db2.gz MIQMHQHJTCYEHZ-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000654981948 425478068 /nfs/dbraw/zinc/47/80/68/425478068.db2.gz DYJXWQHNQFGGSD-UHFFFAOYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663002 425705854 /nfs/dbraw/zinc/70/58/54/425705854.db2.gz BPPSARUQZOLWKT-HKUYNNGSSA-N 2 1 313.445 2.075 20 30 DEEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000662749698 425728921 /nfs/dbraw/zinc/72/89/21/425728921.db2.gz OEQKXLUYZNMPFK-SFHVURJKSA-N 2 1 319.424 2.072 20 30 DEEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348323798 279134462 /nfs/dbraw/zinc/13/44/62/279134462.db2.gz SPLLCICPCZLJBN-IAGOWNOFSA-N 2 1 322.497 2.239 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](CC)CC1)C(C)C ZINC000079440501 517328135 /nfs/dbraw/zinc/32/81/35/517328135.db2.gz WRYVJFPRBQFPEM-QGZVFWFLSA-N 2 1 322.497 2.032 20 30 DEEDMP C=C(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387421 /nfs/dbraw/zinc/38/74/21/534387421.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387426 /nfs/dbraw/zinc/38/74/26/534387426.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387432 /nfs/dbraw/zinc/38/74/32/534387432.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(CC)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526643 534387439 /nfs/dbraw/zinc/38/74/39/534387439.db2.gz INMXUCIDWNMBMZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC[C@H]1CCc2ccccc21 ZINC000262501012 526367994 /nfs/dbraw/zinc/36/79/94/526367994.db2.gz KPOFEEPZECUJEP-MRXNPFEDSA-N 2 1 311.433 2.087 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCS[C@H](C(C)C)C1 ZINC000261762529 526371343 /nfs/dbraw/zinc/37/13/43/526371343.db2.gz NEMMHPAJDAMXMA-HOCLYGCPSA-N 2 1 324.538 2.120 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)NC[C@@H]1CCCS1 ZINC000262002217 526374922 /nfs/dbraw/zinc/37/49/22/526374922.db2.gz UTCGFXUJSUVHNU-KKUMJFAQSA-N 2 1 312.527 2.167 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccccc1OC)[NH+]1CCCC1)NC1CC1 ZINC000264033041 526414682 /nfs/dbraw/zinc/41/46/82/526414682.db2.gz FIKOIKXYVUGYAN-MRXNPFEDSA-N 2 1 316.449 2.160 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000264050873 526415310 /nfs/dbraw/zinc/41/53/10/526415310.db2.gz MHIRRZMTGYFSQN-OAHLLOKOSA-N 2 1 316.405 2.375 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000294865197 526827515 /nfs/dbraw/zinc/82/75/15/526827515.db2.gz CGFIMWWLSZVCRR-HNNXBMFYSA-N 2 1 318.461 2.488 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000294865197 526827518 /nfs/dbraw/zinc/82/75/18/526827518.db2.gz CGFIMWWLSZVCRR-HNNXBMFYSA-N 2 1 318.461 2.488 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077917 529074390 /nfs/dbraw/zinc/07/43/90/529074390.db2.gz GGUNNFLJBULYHU-MRXNPFEDSA-N 2 1 311.433 2.123 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001327541013 1148581058 /nfs/dbraw/zinc/58/10/58/1148581058.db2.gz LVPXDCGCSYBWQB-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001327541013 1148581068 /nfs/dbraw/zinc/58/10/68/1148581068.db2.gz LVPXDCGCSYBWQB-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001327541013 1148581084 /nfs/dbraw/zinc/58/10/84/1148581084.db2.gz LVPXDCGCSYBWQB-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185595 /nfs/dbraw/zinc/18/55/95/1149185595.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185635 /nfs/dbraw/zinc/18/56/35/1149185635.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001330538517 1149185660 /nfs/dbraw/zinc/18/56/60/1149185660.db2.gz QVLRAROQMWAHIH-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027648522 634383129 /nfs/dbraw/zinc/38/31/29/634383129.db2.gz XAWNKAWIMHHPRT-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027648522 634383135 /nfs/dbraw/zinc/38/31/35/634383135.db2.gz XAWNKAWIMHHPRT-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027648522 634383139 /nfs/dbraw/zinc/38/31/39/634383139.db2.gz XAWNKAWIMHHPRT-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001330599361 1149207634 /nfs/dbraw/zinc/20/76/34/1149207634.db2.gz KUKACALXAQRVOJ-BZUAXINKSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467706 625461873 /nfs/dbraw/zinc/46/18/73/625461873.db2.gz CIXNRMFBLGKDIT-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000969170463 622602922 /nfs/dbraw/zinc/60/29/22/622602922.db2.gz QVWZGBYJQSEEQL-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025903 623065646 /nfs/dbraw/zinc/06/56/46/623065646.db2.gz ALNHCBUOAMLDTR-DOTOQJQBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)CN1CC([C@@H](C)NC(=O)c2ccn3cncc3c2)C1 ZINC000970065101 623089002 /nfs/dbraw/zinc/08/90/02/623089002.db2.gz QLXIBDSYTILXEX-GFCCVEGCSA-N 2 1 318.808 2.137 20 30 DEEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970717637 623639849 /nfs/dbraw/zinc/63/98/49/623639849.db2.gz FNWSVJZCIFJBIS-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2ncc[nH]2)C1 ZINC001021575935 623779899 /nfs/dbraw/zinc/77/98/99/623779899.db2.gz PFRCHBKHHFQJIA-HZPDHXFCSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735423 624018024 /nfs/dbraw/zinc/01/80/24/624018024.db2.gz FDLDOTFXVVNMIA-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735423 624018026 /nfs/dbraw/zinc/01/80/26/624018026.db2.gz FDLDOTFXVVNMIA-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736116 624019087 /nfs/dbraw/zinc/01/90/87/624019087.db2.gz KSDXQXVUIWUHKT-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000891611275 624492912 /nfs/dbraw/zinc/49/29/12/624492912.db2.gz HVJLCEMNZKXJSC-UHFFFAOYSA-N 2 1 305.447 2.164 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001022351275 624612036 /nfs/dbraw/zinc/61/20/36/624612036.db2.gz VRXNNJLBZZRGKB-ZNMIVQPWSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446192 625271763 /nfs/dbraw/zinc/27/17/63/625271763.db2.gz LNGQNPKYYAPYKS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001023446192 625271766 /nfs/dbraw/zinc/27/17/66/625271766.db2.gz LNGQNPKYYAPYKS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446192 625271772 /nfs/dbraw/zinc/27/17/72/625271772.db2.gz LNGQNPKYYAPYKS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001023446192 625271776 /nfs/dbraw/zinc/27/17/76/625271776.db2.gz LNGQNPKYYAPYKS-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455925 625277794 /nfs/dbraw/zinc/27/77/94/625277794.db2.gz UGHSWEDUIWCLEW-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455925 625277797 /nfs/dbraw/zinc/27/77/97/625277797.db2.gz UGHSWEDUIWCLEW-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455925 625277799 /nfs/dbraw/zinc/27/77/99/625277799.db2.gz UGHSWEDUIWCLEW-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999669843 634655055 /nfs/dbraw/zinc/65/50/55/634655055.db2.gz BFNALFCWQQBEJC-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103351 634745924 /nfs/dbraw/zinc/74/59/24/634745924.db2.gz YNDYFRXEFFBZCS-KRWDZBQOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995888354 633138499 /nfs/dbraw/zinc/13/84/99/633138499.db2.gz XDAVLJHBIVDRPF-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231062 /nfs/dbraw/zinc/23/10/62/633231062.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231065 /nfs/dbraw/zinc/23/10/65/633231065.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679127 633231068 /nfs/dbraw/zinc/23/10/68/633231068.db2.gz GMGZTNQAZILJIH-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686890 633236360 /nfs/dbraw/zinc/23/63/60/633236360.db2.gz YJRKMNUVAXDHDJ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378072 633250548 /nfs/dbraw/zinc/25/05/48/633250548.db2.gz DFRKXCYJXMIYDW-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997079972 633568017 /nfs/dbraw/zinc/56/80/17/633568017.db2.gz URCXDKVPMMRKHL-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027442155 633795494 /nfs/dbraw/zinc/79/54/94/633795494.db2.gz BRQODCFYGLBELI-LSDHHAIUSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505111 633916281 /nfs/dbraw/zinc/91/62/81/633916281.db2.gz KEJYHKFTJONBBM-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977438002 633981525 /nfs/dbraw/zinc/98/15/25/633981525.db2.gz GGTGWVXBIUXKBI-QGZVFWFLSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997874085 634016641 /nfs/dbraw/zinc/01/66/41/634016641.db2.gz KBNCQIASZFLUCZ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000998018610 634115162 /nfs/dbraw/zinc/11/51/62/634115162.db2.gz VUJAZCLTFMSLDC-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101094 634141308 /nfs/dbraw/zinc/14/13/08/634141308.db2.gz GDLVKVYZUAPNNR-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998188295 634163731 /nfs/dbraw/zinc/16/37/31/634163731.db2.gz JDXRLRFROQKIPQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998188295 634163734 /nfs/dbraw/zinc/16/37/34/634163734.db2.gz JDXRLRFROQKIPQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998188295 634163735 /nfs/dbraw/zinc/16/37/35/634163735.db2.gz JDXRLRFROQKIPQ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603085 634266269 /nfs/dbraw/zinc/26/62/69/634266269.db2.gz DIBGYCSFJCDDBK-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027929285 634991181 /nfs/dbraw/zinc/99/11/81/634991181.db2.gz DCOXINGHTQFHJA-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929285 634991183 /nfs/dbraw/zinc/99/11/83/634991183.db2.gz DCOXINGHTQFHJA-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929285 634991189 /nfs/dbraw/zinc/99/11/89/634991189.db2.gz DCOXINGHTQFHJA-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000980479171 635017176 /nfs/dbraw/zinc/01/71/76/635017176.db2.gz UEMCYFKYOLXVPJ-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001000702542 635271227 /nfs/dbraw/zinc/27/12/27/635271227.db2.gz TYVFVBONGIGVKC-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000702542 635271232 /nfs/dbraw/zinc/27/12/32/635271232.db2.gz TYVFVBONGIGVKC-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001000702542 635271239 /nfs/dbraw/zinc/27/12/39/635271239.db2.gz TYVFVBONGIGVKC-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332211 635438305 /nfs/dbraw/zinc/43/83/05/635438305.db2.gz TWIKVLWZSPTOCR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332211 635438311 /nfs/dbraw/zinc/43/83/11/635438311.db2.gz TWIKVLWZSPTOCR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332211 635438316 /nfs/dbraw/zinc/43/83/16/635438316.db2.gz TWIKVLWZSPTOCR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001332925 635465415 /nfs/dbraw/zinc/46/54/15/635465415.db2.gz RQHZJYZRYYVGCQ-UHFFFAOYSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404630 635488219 /nfs/dbraw/zinc/48/82/19/635488219.db2.gz JKPPVJRFSMBVHG-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001523346 635521145 /nfs/dbraw/zinc/52/11/45/635521145.db2.gz RVMLGSWQVXVWQX-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163803 635890358 /nfs/dbraw/zinc/89/03/58/635890358.db2.gz SWOSPDYVIDUGLY-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003775968 636050971 /nfs/dbraw/zinc/05/09/71/636050971.db2.gz DCGZYHBFKRQVCG-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982520313 636216285 /nfs/dbraw/zinc/21/62/85/636216285.db2.gz QJBHMMHFQUPMMM-QRQLOZEOSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001004546099 636483458 /nfs/dbraw/zinc/48/34/58/636483458.db2.gz GONWTPYIQBQSEH-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546099 636483462 /nfs/dbraw/zinc/48/34/62/636483462.db2.gz GONWTPYIQBQSEH-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546099 636483469 /nfs/dbraw/zinc/48/34/69/636483469.db2.gz GONWTPYIQBQSEH-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647444 636544712 /nfs/dbraw/zinc/54/47/12/636544712.db2.gz IGQQAMNVSLVVLB-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647444 636544713 /nfs/dbraw/zinc/54/47/13/636544713.db2.gz IGQQAMNVSLVVLB-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647444 636544714 /nfs/dbraw/zinc/54/47/14/636544714.db2.gz IGQQAMNVSLVVLB-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658898 636568238 /nfs/dbraw/zinc/56/82/38/636568238.db2.gz JDLNMYMGFBBKEN-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644612 /nfs/dbraw/zinc/64/46/12/636644612.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644614 /nfs/dbraw/zinc/64/46/14/636644614.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776322 636644616 /nfs/dbraw/zinc/64/46/16/636644616.db2.gz LMYDOSXCRXRNCH-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005929593 636982545 /nfs/dbraw/zinc/98/25/45/636982545.db2.gz KAXAYHNGDCVXMM-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000894863287 637271936 /nfs/dbraw/zinc/27/19/36/637271936.db2.gz WMOAPKANOXKSBE-UHFFFAOYSA-N 2 1 302.418 2.376 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000894863287 637271942 /nfs/dbraw/zinc/27/19/42/637271942.db2.gz WMOAPKANOXKSBE-UHFFFAOYSA-N 2 1 302.418 2.376 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895098358 637554359 /nfs/dbraw/zinc/55/43/59/637554359.db2.gz JXDDMTDYRNSUMI-NZSAHSFTSA-N 2 1 300.446 2.261 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985750503 639614571 /nfs/dbraw/zinc/61/45/71/639614571.db2.gz GNHFEWVKEURRND-DOTOQJQBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767726 641985407 /nfs/dbraw/zinc/98/54/07/641985407.db2.gz YOKTUTODHXFHPN-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767726 641985413 /nfs/dbraw/zinc/98/54/13/641985413.db2.gz YOKTUTODHXFHPN-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767726 641985419 /nfs/dbraw/zinc/98/54/19/641985419.db2.gz YOKTUTODHXFHPN-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001329742365 1148986006 /nfs/dbraw/zinc/98/60/06/1148986006.db2.gz NCFQYDBEGQXDQH-INIZCTEOSA-N 2 1 306.454 2.230 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000900387359 642342653 /nfs/dbraw/zinc/34/26/53/642342653.db2.gz XBSPVOCKPKCZFW-UHFFFAOYSA-N 2 1 312.417 2.305 20 30 DEEDMP C=CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000905763920 644037598 /nfs/dbraw/zinc/03/75/98/644037598.db2.gz UTYLTVYEGQKFQM-INIZCTEOSA-N 2 1 303.406 2.005 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843813758 651034414 /nfs/dbraw/zinc/03/44/14/651034414.db2.gz FSOTUYBMKDEYLH-YJBOKZPZSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000911913801 645876780 /nfs/dbraw/zinc/87/67/80/645876780.db2.gz GSWSTNIIHFPJET-LJQANCHMSA-N 2 1 315.461 2.275 20 30 DEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@@H+]1CCc2ccccc2C1 ZINC000170906010 646675008 /nfs/dbraw/zinc/67/50/08/646675008.db2.gz TXPLRDVUSULFJN-AWEZNQCLSA-N 2 1 309.417 2.255 20 30 DEEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[N@H+]1CCc2ccccc2C1 ZINC000170906010 646675009 /nfs/dbraw/zinc/67/50/09/646675009.db2.gz TXPLRDVUSULFJN-AWEZNQCLSA-N 2 1 309.417 2.255 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121387 646860204 /nfs/dbraw/zinc/86/02/04/646860204.db2.gz DCHIGRZLRVUEBO-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121387 646860209 /nfs/dbraw/zinc/86/02/09/646860209.db2.gz DCHIGRZLRVUEBO-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992121387 646860214 /nfs/dbraw/zinc/86/02/14/646860214.db2.gz DCHIGRZLRVUEBO-DWRORGKVSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992435437 647000913 /nfs/dbraw/zinc/00/09/13/647000913.db2.gz UWEWBRRWLBJQOM-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435437 647000914 /nfs/dbraw/zinc/00/09/14/647000914.db2.gz UWEWBRRWLBJQOM-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992435437 647000919 /nfs/dbraw/zinc/00/09/19/647000919.db2.gz UWEWBRRWLBJQOM-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993922597 647767376 /nfs/dbraw/zinc/76/73/76/647767376.db2.gz BWQOOIBWXDEBGW-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994425337 647946585 /nfs/dbraw/zinc/94/65/85/647946585.db2.gz SBLDJNUWVKJUBN-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994425337 647946588 /nfs/dbraw/zinc/94/65/88/647946588.db2.gz SBLDJNUWVKJUBN-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624474 648908033 /nfs/dbraw/zinc/90/80/33/648908033.db2.gz HYSRXANWKCBPTO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624474 648908035 /nfs/dbraw/zinc/90/80/35/648908035.db2.gz HYSRXANWKCBPTO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624474 648908037 /nfs/dbraw/zinc/90/80/37/648908037.db2.gz HYSRXANWKCBPTO-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785076 648941458 /nfs/dbraw/zinc/94/14/58/648941458.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785076 648941460 /nfs/dbraw/zinc/94/14/60/648941460.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785076 648941462 /nfs/dbraw/zinc/94/14/62/648941462.db2.gz HBFGFMLNZGVSJO-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941076281 648995141 /nfs/dbraw/zinc/99/51/41/648995141.db2.gz VIOWICYQXCATQZ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076281 648995144 /nfs/dbraw/zinc/99/51/44/648995144.db2.gz VIOWICYQXCATQZ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076281 648995145 /nfs/dbraw/zinc/99/51/45/648995145.db2.gz VIOWICYQXCATQZ-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518564 649232834 /nfs/dbraw/zinc/23/28/34/649232834.db2.gz TZNTWQCYBZWCPT-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(Cl)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847510480 651399542 /nfs/dbraw/zinc/39/95/42/651399542.db2.gz WHJPBBBPZTVXFJ-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC#N)C2)ccn1 ZINC000856583359 651954369 /nfs/dbraw/zinc/95/43/69/651954369.db2.gz FVMJTDYZUCPFBQ-QGZVFWFLSA-N 2 1 302.422 2.290 20 30 DEEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC#N)C2)ccn1 ZINC000856583359 651954371 /nfs/dbraw/zinc/95/43/71/651954371.db2.gz FVMJTDYZUCPFBQ-QGZVFWFLSA-N 2 1 302.422 2.290 20 30 DEEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC#N)C2)ccn1 ZINC000856583359 651954373 /nfs/dbraw/zinc/95/43/73/651954373.db2.gz FVMJTDYZUCPFBQ-QGZVFWFLSA-N 2 1 302.422 2.290 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600903 651955119 /nfs/dbraw/zinc/95/51/19/651955119.db2.gz YTLCRPPGAIXMLV-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600903 651955123 /nfs/dbraw/zinc/95/51/23/651955123.db2.gz YTLCRPPGAIXMLV-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600903 651955133 /nfs/dbraw/zinc/95/51/33/651955133.db2.gz YTLCRPPGAIXMLV-GOSISDBHSA-N 2 1 301.434 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129744 693856167 /nfs/dbraw/zinc/85/61/67/693856167.db2.gz YOYJDFGCNZLUNY-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129744 693856171 /nfs/dbraw/zinc/85/61/71/693856171.db2.gz YOYJDFGCNZLUNY-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129744 693856174 /nfs/dbraw/zinc/85/61/74/693856174.db2.gz YOYJDFGCNZLUNY-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192306 693875700 /nfs/dbraw/zinc/87/57/00/693875700.db2.gz USJKRABTFOKSFJ-SJLPKXTDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197908 693880014 /nfs/dbraw/zinc/88/00/14/693880014.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197908 693880019 /nfs/dbraw/zinc/88/00/19/693880019.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197908 693880025 /nfs/dbraw/zinc/88/00/25/693880025.db2.gz LNUKSHSIIQTEKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000929779542 694026678 /nfs/dbraw/zinc/02/66/78/694026678.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000929779542 694026680 /nfs/dbraw/zinc/02/66/80/694026680.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000929779542 694026685 /nfs/dbraw/zinc/02/66/85/694026685.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000929779542 694026691 /nfs/dbraw/zinc/02/66/91/694026691.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 1 313.445 2.411 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000929779542 694026696 /nfs/dbraw/zinc/02/66/96/694026696.db2.gz BFCLDBUSKGWOMQ-QAPCUYQASA-N 2 1 313.445 2.411 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015972263 687487078 /nfs/dbraw/zinc/48/70/78/687487078.db2.gz IMNONKAADOKZCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015972263 687487081 /nfs/dbraw/zinc/48/70/81/687487081.db2.gz IMNONKAADOKZCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015972263 687487083 /nfs/dbraw/zinc/48/70/83/687487083.db2.gz IMNONKAADOKZCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016830421 687711724 /nfs/dbraw/zinc/71/17/24/687711724.db2.gz SCNNKNKXECMQNS-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155966 688940621 /nfs/dbraw/zinc/94/06/21/688940621.db2.gz BPKKXIQWZKDNHG-UXLLHSPISA-N 2 1 307.482 2.297 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000872250102 688964356 /nfs/dbraw/zinc/96/43/56/688964356.db2.gz CRZCFKGOYOZPOP-IHPCNDPISA-N 2 1 312.457 2.405 20 30 DEEDMP C#C[C@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000872250102 688964359 /nfs/dbraw/zinc/96/43/59/688964359.db2.gz CRZCFKGOYOZPOP-IHPCNDPISA-N 2 1 312.457 2.405 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119254 689066744 /nfs/dbraw/zinc/06/67/44/689066744.db2.gz JVJHKLGMHHDUPG-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405516 689141689 /nfs/dbraw/zinc/14/16/89/689141689.db2.gz GYJPHZOFBGXYBR-SZMVWBNQSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001032405516 689141690 /nfs/dbraw/zinc/14/16/90/689141690.db2.gz GYJPHZOFBGXYBR-SZMVWBNQSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405516 689141693 /nfs/dbraw/zinc/14/16/93/689141693.db2.gz GYJPHZOFBGXYBR-SZMVWBNQSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405516 689141695 /nfs/dbraw/zinc/14/16/95/689141695.db2.gz GYJPHZOFBGXYBR-SZMVWBNQSA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413609 689143639 /nfs/dbraw/zinc/14/36/39/689143639.db2.gz MACHNARJHQDHOR-PMPSAXMXSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413609 689143640 /nfs/dbraw/zinc/14/36/40/689143640.db2.gz MACHNARJHQDHOR-PMPSAXMXSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320984 689461236 /nfs/dbraw/zinc/46/12/36/689461236.db2.gz YSJGIEPJDIJPDK-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424528 689496201 /nfs/dbraw/zinc/49/62/01/689496201.db2.gz DDLGNHKAJINGRS-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033424528 689496203 /nfs/dbraw/zinc/49/62/03/689496203.db2.gz DDLGNHKAJINGRS-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033424528 689496204 /nfs/dbraw/zinc/49/62/04/689496204.db2.gz DDLGNHKAJINGRS-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238930 689776423 /nfs/dbraw/zinc/77/64/23/689776423.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238930 689776425 /nfs/dbraw/zinc/77/64/25/689776425.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238930 689776426 /nfs/dbraw/zinc/77/64/26/689776426.db2.gz OYCSMMFXJOQQBN-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCC)C2)CC1 ZINC001034538863 689891265 /nfs/dbraw/zinc/89/12/65/689891265.db2.gz SYCKJLFWRYTFJI-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035226376 690065839 /nfs/dbraw/zinc/06/58/39/690065839.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226376 690065841 /nfs/dbraw/zinc/06/58/41/690065841.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226376 690065844 /nfs/dbraw/zinc/06/58/44/690065844.db2.gz HLRUJVAQAGWORN-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227638 690066777 /nfs/dbraw/zinc/06/67/77/690066777.db2.gz TYMNALCQARWMDK-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227638 690066780 /nfs/dbraw/zinc/06/67/80/690066780.db2.gz TYMNALCQARWMDK-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227638 690066782 /nfs/dbraw/zinc/06/67/82/690066782.db2.gz TYMNALCQARWMDK-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857765 690194658 /nfs/dbraw/zinc/19/46/58/690194658.db2.gz DMNQLSABFXZXFE-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833445 690492060 /nfs/dbraw/zinc/49/20/60/690492060.db2.gz UFUQEUGKMTTZJU-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038700205 690901257 /nfs/dbraw/zinc/90/12/57/690901257.db2.gz PLXRGSJCJHVNBX-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000931479151 694408183 /nfs/dbraw/zinc/40/81/83/694408183.db2.gz LRJOSQLBMBAYJX-UHFFFAOYSA-N 2 1 307.825 2.100 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039158189 691035448 /nfs/dbraw/zinc/03/54/48/691035448.db2.gz NLVKRDLFMDQQTB-GOSISDBHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039410872 691101037 /nfs/dbraw/zinc/10/10/37/691101037.db2.gz CYDSHYFFOMLCLB-FGTMMUONSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040236204 691217425 /nfs/dbraw/zinc/21/74/25/691217425.db2.gz JUFXROZJWAHPSD-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380779 691239620 /nfs/dbraw/zinc/23/96/20/691239620.db2.gz UVFACTQTXHDQPI-MJGOQNOKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377354 691369067 /nfs/dbraw/zinc/36/90/67/691369067.db2.gz AZMTZZNESNNCAS-WMZOPIPTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402059 691371746 /nfs/dbraw/zinc/37/17/46/691371746.db2.gz FVEOWYSJPNNZQL-GDBMZVCRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402059 691371747 /nfs/dbraw/zinc/37/17/47/691371747.db2.gz FVEOWYSJPNNZQL-GDBMZVCRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041474822 691381408 /nfs/dbraw/zinc/38/14/08/691381408.db2.gz DCLWHAVHWFVFFR-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132274 691516618 /nfs/dbraw/zinc/51/66/18/691516618.db2.gz APOPJTAOKHFUBS-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133346 691517524 /nfs/dbraw/zinc/51/75/24/691517524.db2.gz JDTMHNAEVAVORS-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042202502 691535346 /nfs/dbraw/zinc/53/53/46/691535346.db2.gz DARQDOYKDCJEDQ-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042202502 691535349 /nfs/dbraw/zinc/53/53/49/691535349.db2.gz DARQDOYKDCJEDQ-GDBMZVCRSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042254195 691549624 /nfs/dbraw/zinc/54/96/24/691549624.db2.gz IXEXKPDMRKXDOL-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000886016743 691984528 /nfs/dbraw/zinc/98/45/28/691984528.db2.gz KRJKSTYFOIPLEU-DLBZAZTESA-N 2 1 305.466 2.382 20 30 DEEDMP C=C(Cl)CN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314244 692149302 /nfs/dbraw/zinc/14/93/02/692149302.db2.gz ABWKSMHAUQZLLB-GDBMZVCRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001048511256 692634732 /nfs/dbraw/zinc/63/47/32/692634732.db2.gz XYBFRDUDDBKTEC-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048511256 692634733 /nfs/dbraw/zinc/63/47/33/692634733.db2.gz XYBFRDUDDBKTEC-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048511256 692634735 /nfs/dbraw/zinc/63/47/35/692634735.db2.gz XYBFRDUDDBKTEC-YYIAUSFCSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049147211 692774321 /nfs/dbraw/zinc/77/43/21/692774321.db2.gz QEVLKWAVSBKFHR-HDICACEKSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001049370355 692857547 /nfs/dbraw/zinc/85/75/47/692857547.db2.gz UYKWBFRVRSPXIE-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049370355 692857552 /nfs/dbraw/zinc/85/75/52/692857552.db2.gz UYKWBFRVRSPXIE-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001049370355 692857558 /nfs/dbraw/zinc/85/75/58/692857558.db2.gz UYKWBFRVRSPXIE-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518113 692909367 /nfs/dbraw/zinc/90/93/67/692909367.db2.gz QFDXBJNLPGHJQN-HOTGVXAUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531983 692913923 /nfs/dbraw/zinc/91/39/23/692913923.db2.gz FXRWSOSMHHCCAJ-BBWFWOEESA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760883 692991230 /nfs/dbraw/zinc/99/12/30/692991230.db2.gz HBWQQHVSGQFAFF-HZPDHXFCSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760883 692991233 /nfs/dbraw/zinc/99/12/33/692991233.db2.gz HBWQQHVSGQFAFF-HZPDHXFCSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050728445 693239085 /nfs/dbraw/zinc/23/90/85/693239085.db2.gz SHUUQPOHKQTRFX-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619272 693580877 /nfs/dbraw/zinc/58/08/77/693580877.db2.gz FDNLFHFBIVAWSK-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052652034 693589032 /nfs/dbraw/zinc/58/90/32/693589032.db2.gz RLAGAKLKNZEJBU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652034 693589036 /nfs/dbraw/zinc/58/90/36/693589036.db2.gz RLAGAKLKNZEJBU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652034 693589040 /nfs/dbraw/zinc/58/90/40/693589040.db2.gz RLAGAKLKNZEJBU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657936 693590272 /nfs/dbraw/zinc/59/02/72/693590272.db2.gz ASHQDLVZVUXOAG-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657936 693590276 /nfs/dbraw/zinc/59/02/76/693590276.db2.gz ASHQDLVZVUXOAG-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657936 693590280 /nfs/dbraw/zinc/59/02/80/693590280.db2.gz ASHQDLVZVUXOAG-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001332143608 1149825372 /nfs/dbraw/zinc/82/53/72/1149825372.db2.gz BOGXPGOBWNLGNY-YESZJQIVSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001332149090 1149825725 /nfs/dbraw/zinc/82/57/25/1149825725.db2.gz SWKJAEDNUGUHIR-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332218718 1149836954 /nfs/dbraw/zinc/83/69/54/1149836954.db2.gz LRTHLIYYKBKGLY-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+](C[C@H](CC)OC)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC001349700844 1151273560 /nfs/dbraw/zinc/27/35/60/1151273560.db2.gz SUGJYLSQLXIHOO-ROUUACIJSA-N 2 1 310.482 2.236 20 30 DEEDMP C#CC[N@H+](C[C@H](CC)OC)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC001349700844 1151273562 /nfs/dbraw/zinc/27/35/62/1151273562.db2.gz SUGJYLSQLXIHOO-ROUUACIJSA-N 2 1 310.482 2.236 20 30 DEEDMP C=CCn1cnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759870 1151775704 /nfs/dbraw/zinc/77/57/04/1151775704.db2.gz HFIJXECKRRWCIF-ZNMIVQPWSA-N 2 1 321.494 2.220 20 30 DEEDMP C=CCn1cnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759870 1151775705 /nfs/dbraw/zinc/77/57/05/1151775705.db2.gz HFIJXECKRRWCIF-ZNMIVQPWSA-N 2 1 321.494 2.220 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CCC)CCC[C@@H]12 ZINC001382338473 1153428989 /nfs/dbraw/zinc/42/89/89/1153428989.db2.gz PCVBFOWYBFPRHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001382338473 1153428990 /nfs/dbraw/zinc/42/89/90/1153428990.db2.gz PCVBFOWYBFPRHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001382338473 1153428992 /nfs/dbraw/zinc/42/89/92/1153428992.db2.gz PCVBFOWYBFPRHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001382338473 1153428993 /nfs/dbraw/zinc/42/89/93/1153428993.db2.gz PCVBFOWYBFPRHJ-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001390166683 1155554190 /nfs/dbraw/zinc/55/41/90/1155554190.db2.gz ZDDJGZLNXYNLAX-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001373856411 1157411640 /nfs/dbraw/zinc/41/16/40/1157411640.db2.gz CQOLRSCFCJIQPQ-CYBMUJFWSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001375745491 1158860263 /nfs/dbraw/zinc/86/02/63/1158860263.db2.gz YPVXSBFTKGLCOT-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001376936401 1159850900 /nfs/dbraw/zinc/85/09/00/1159850900.db2.gz OUMDSZKRLNQUDU-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001401872345 1162161519 /nfs/dbraw/zinc/16/15/19/1162161519.db2.gz ODXULKNKBXBGKY-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001404105043 1163449071 /nfs/dbraw/zinc/44/90/71/1163449071.db2.gz ODFLBOYDWBOTLF-OAHLLOKOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001404105043 1163449072 /nfs/dbraw/zinc/44/90/72/1163449072.db2.gz ODFLBOYDWBOTLF-OAHLLOKOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001405862882 1164298295 /nfs/dbraw/zinc/29/82/95/1164298295.db2.gz JVASGBXUIUJGQN-ZDUSSCGKSA-N 2 1 303.878 2.153 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001407103642 1164976683 /nfs/dbraw/zinc/97/66/83/1164976683.db2.gz FTDXBOQEKWDQJU-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001422294926 1172462389 /nfs/dbraw/zinc/46/23/89/1172462389.db2.gz XLTWITRZKNSXTE-YMAMQOFZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001441613979 1182091281 /nfs/dbraw/zinc/09/12/81/1182091281.db2.gz HLJHJUAUFUYODR-HNNXBMFYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001441848644 1182213321 /nfs/dbraw/zinc/21/33/21/1182213321.db2.gz ZQGYAEXYHQYZKV-KGLIPLIRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001445353106 1183843981 /nfs/dbraw/zinc/84/39/81/1183843981.db2.gz CLJKGPNCXIHJMS-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001447541171 1184804997 /nfs/dbraw/zinc/80/49/97/1184804997.db2.gz OMEKBESDRLRYHT-WFASDCNBSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC001072857337 790275199 /nfs/dbraw/zinc/27/51/99/790275199.db2.gz URPYXINNUMJGRR-UHFFFAOYSA-N 2 1 310.401 2.287 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898197 790293183 /nfs/dbraw/zinc/29/31/83/790293183.db2.gz NKQZEWNVYNEOFJ-UHFFFAOYSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333167798 1150009986 /nfs/dbraw/zinc/00/99/86/1150009986.db2.gz RICKVUHMRPGRGN-KRWDZBQOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106323227 782651036 /nfs/dbraw/zinc/65/10/36/782651036.db2.gz ZKJBULUDINGCCR-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389787 783063604 /nfs/dbraw/zinc/06/36/04/783063604.db2.gz VXLZGBLECKYPNN-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389787 783063606 /nfs/dbraw/zinc/06/36/06/783063606.db2.gz VXLZGBLECKYPNN-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389787 783063609 /nfs/dbraw/zinc/06/36/09/783063609.db2.gz VXLZGBLECKYPNN-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419428 783088706 /nfs/dbraw/zinc/08/87/06/783088706.db2.gz GKZPSFAJCVEKQG-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419428 783088713 /nfs/dbraw/zinc/08/87/13/783088713.db2.gz GKZPSFAJCVEKQG-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419428 783088719 /nfs/dbraw/zinc/08/87/19/783088719.db2.gz GKZPSFAJCVEKQG-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125545 790473246 /nfs/dbraw/zinc/47/32/46/790473246.db2.gz AKMJLLPFGFKBTF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167352022 776941396 /nfs/dbraw/zinc/94/13/96/776941396.db2.gz XJZCGHOEHFCDNP-UHFFFAOYSA-N 2 1 304.438 2.069 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167627204 777406299 /nfs/dbraw/zinc/40/62/99/777406299.db2.gz LZUDKAJRYLEHFQ-AWEZNQCLSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301602 777750469 /nfs/dbraw/zinc/75/04/69/777750469.db2.gz FRUTUBRDSRFMKB-BRWVUGGUSA-N 2 1 319.493 2.119 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104802100 778188375 /nfs/dbraw/zinc/18/83/75/778188375.db2.gz AOYZJXVMYFXOSJ-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702738 778728273 /nfs/dbraw/zinc/72/82/73/778728273.db2.gz AWDMKJGGTXAMJN-ZWKOTPCHSA-N 2 1 315.461 2.098 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461828 790671960 /nfs/dbraw/zinc/67/19/60/790671960.db2.gz IBZXWVMQHHDTTG-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1CC ZINC001087625512 779383556 /nfs/dbraw/zinc/38/35/56/779383556.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625512 779383560 /nfs/dbraw/zinc/38/35/60/779383560.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1CC ZINC001087625512 779383563 /nfs/dbraw/zinc/38/35/63/779383563.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001087625512 779383565 /nfs/dbraw/zinc/38/35/65/779383565.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625512 779383569 /nfs/dbraw/zinc/38/35/69/779383569.db2.gz KRPYTLYUELTZGE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1CC ZINC001087624774 779383846 /nfs/dbraw/zinc/38/38/46/779383846.db2.gz YAWCNSIHQUMMHT-DOTOQJQBSA-N 2 1 310.401 2.169 20 30 DEEDMP CC#CCN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1CC ZINC001087624774 779383851 /nfs/dbraw/zinc/38/38/51/779383851.db2.gz YAWCNSIHQUMMHT-DOTOQJQBSA-N 2 1 310.401 2.169 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725862 779425370 /nfs/dbraw/zinc/42/53/70/779425370.db2.gz HMZZBMXBVQWXRL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725862 779425376 /nfs/dbraw/zinc/42/53/76/779425376.db2.gz HMZZBMXBVQWXRL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087725862 779425381 /nfs/dbraw/zinc/42/53/81/779425381.db2.gz HMZZBMXBVQWXRL-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985474563 779857652 /nfs/dbraw/zinc/85/76/52/779857652.db2.gz NYVXXVJAZNYHFU-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985474563 779857665 /nfs/dbraw/zinc/85/76/65/779857665.db2.gz NYVXXVJAZNYHFU-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985474563 779857668 /nfs/dbraw/zinc/85/76/68/779857668.db2.gz NYVXXVJAZNYHFU-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001088340979 779994102 /nfs/dbraw/zinc/99/41/02/779994102.db2.gz UAHZRMPSEMIAAR-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001088380910 780048130 /nfs/dbraw/zinc/04/81/30/780048130.db2.gz SDRKJBXKUBDKJX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622277 780662781 /nfs/dbraw/zinc/66/27/81/780662781.db2.gz OKMZMNATOSXVQD-HYVNUMGLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622277 780662786 /nfs/dbraw/zinc/66/27/86/780662786.db2.gz OKMZMNATOSXVQD-HYVNUMGLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622277 780662791 /nfs/dbraw/zinc/66/27/91/780662791.db2.gz OKMZMNATOSXVQD-HYVNUMGLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948045102 783301301 /nfs/dbraw/zinc/30/13/01/783301301.db2.gz WVFZKFXNDCXVHI-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948045102 783301311 /nfs/dbraw/zinc/30/13/11/783301311.db2.gz WVFZKFXNDCXVHI-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428433 783359902 /nfs/dbraw/zinc/35/99/02/783359902.db2.gz HSRXJMOFDVZDCN-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732155 783395641 /nfs/dbraw/zinc/39/56/41/783395641.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732155 783395652 /nfs/dbraw/zinc/39/56/52/783395652.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732155 783395663 /nfs/dbraw/zinc/39/56/63/783395663.db2.gz NQYJTLTYASZEDD-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085593386 783859261 /nfs/dbraw/zinc/85/92/61/783859261.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593386 783859266 /nfs/dbraw/zinc/85/92/66/783859266.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001085593386 783859272 /nfs/dbraw/zinc/85/92/72/783859272.db2.gz IKWNVQZULFXLIG-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876157 784165927 /nfs/dbraw/zinc/16/59/27/784165927.db2.gz SQNOWHPAWLVHRO-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052421 784214035 /nfs/dbraw/zinc/21/40/35/784214035.db2.gz BFGHFVOADFOYCJ-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052421 784214040 /nfs/dbraw/zinc/21/40/40/784214040.db2.gz BFGHFVOADFOYCJ-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986899 784284496 /nfs/dbraw/zinc/28/44/96/784284496.db2.gz PBPOYDBCSZSLIN-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106696 784414324 /nfs/dbraw/zinc/41/43/24/784414324.db2.gz VBYMGKVYFTTXSV-HLLBOEOZSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924880 784537551 /nfs/dbraw/zinc/53/75/51/784537551.db2.gz KHGKKSHVMFEWKQ-ITQYTPKQSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387851 784642311 /nfs/dbraw/zinc/64/23/11/784642311.db2.gz XQVBTNHAVUMSPL-JFIYKMOQSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990999 784683298 /nfs/dbraw/zinc/68/32/98/784683298.db2.gz SZDOUNVJFCBLIP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990999 784683305 /nfs/dbraw/zinc/68/33/05/784683305.db2.gz SZDOUNVJFCBLIP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001008162948 785124440 /nfs/dbraw/zinc/12/44/40/785124440.db2.gz NPWBBEZLCPAZLB-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237541 791088623 /nfs/dbraw/zinc/08/86/23/791088623.db2.gz QSQLXEVGUZNRKF-SJORKVTESA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008727933 785288308 /nfs/dbraw/zinc/28/83/08/785288308.db2.gz NYYQCTKSMQWFFL-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008727933 785288315 /nfs/dbraw/zinc/28/83/15/785288315.db2.gz NYYQCTKSMQWFFL-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169797424 785362237 /nfs/dbraw/zinc/36/22/37/785362237.db2.gz FTLHGQALVREOLU-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860106 786088502 /nfs/dbraw/zinc/08/85/02/786088502.db2.gz LMRWYKSIKNYYQM-OWSLCNJRSA-N 2 1 319.493 2.098 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170047886 786157539 /nfs/dbraw/zinc/15/75/39/786157539.db2.gz UMFVQHLSZZFGPN-ZWKOTPCHSA-N 2 1 301.434 2.410 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113352876 786546154 /nfs/dbraw/zinc/54/61/54/786546154.db2.gz AYPCPGHROJLEFW-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132107081 787934006 /nfs/dbraw/zinc/93/40/06/787934006.db2.gz XNFSWJSSKFLVIC-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212270 787967711 /nfs/dbraw/zinc/96/77/11/787967711.db2.gz VWGHEVVZGRFEFV-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085563 787972867 /nfs/dbraw/zinc/97/28/67/787972867.db2.gz IMBORPSUAPJCMQ-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210532 788021095 /nfs/dbraw/zinc/02/10/95/788021095.db2.gz WNXHEWLZSRATCD-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210532 788021103 /nfs/dbraw/zinc/02/11/03/788021103.db2.gz WNXHEWLZSRATCD-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210532 788021109 /nfs/dbraw/zinc/02/11/09/788021109.db2.gz WNXHEWLZSRATCD-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCn2ccnc2C)CC[C@@H]1C ZINC001132354737 788035919 /nfs/dbraw/zinc/03/59/19/788035919.db2.gz OYLSLXRKADYAFH-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132354737 788035935 /nfs/dbraw/zinc/03/59/35/788035935.db2.gz OYLSLXRKADYAFH-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121289 788287456 /nfs/dbraw/zinc/28/74/56/788287456.db2.gz GBHOMZNMPVSPTR-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133275141 788345874 /nfs/dbraw/zinc/34/58/74/788345874.db2.gz PYDFZMGELREGFD-HIFRSBDPSA-N 2 1 315.889 2.155 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691197 789451122 /nfs/dbraw/zinc/45/11/22/789451122.db2.gz PUZFIBALZDEGFP-SJORKVTESA-N 2 1 309.498 2.395 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071628175 789825885 /nfs/dbraw/zinc/82/58/85/789825885.db2.gz NWZAALUJDZITPI-ZBFHGGJFSA-N 2 1 324.428 2.249 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706535 791343927 /nfs/dbraw/zinc/34/39/27/791343927.db2.gz GKXRXGSVXJFETE-IRXDYDNUSA-N 2 1 315.461 2.015 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706535 791343937 /nfs/dbraw/zinc/34/39/37/791343937.db2.gz GKXRXGSVXJFETE-IRXDYDNUSA-N 2 1 315.461 2.015 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707709 791345781 /nfs/dbraw/zinc/34/57/81/791345781.db2.gz YKBZLGQZDDXVIM-JKSUJKDBSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707709 791345788 /nfs/dbraw/zinc/34/57/88/791345788.db2.gz YKBZLGQZDDXVIM-JKSUJKDBSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147787883 791624831 /nfs/dbraw/zinc/62/48/31/791624831.db2.gz LETWPZAMENNBKQ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147787883 791624840 /nfs/dbraw/zinc/62/48/40/791624840.db2.gz LETWPZAMENNBKQ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001147787883 791624845 /nfs/dbraw/zinc/62/48/45/791624845.db2.gz LETWPZAMENNBKQ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148547893 791769138 /nfs/dbraw/zinc/76/91/38/791769138.db2.gz HYJBBNXIRQGEFC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148547893 791769140 /nfs/dbraw/zinc/76/91/40/791769140.db2.gz HYJBBNXIRQGEFC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148547893 791769142 /nfs/dbraw/zinc/76/91/42/791769142.db2.gz HYJBBNXIRQGEFC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907740 791845108 /nfs/dbraw/zinc/84/51/08/791845108.db2.gz AGYIOXGLHBEFJO-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938420 791855882 /nfs/dbraw/zinc/85/58/82/791855882.db2.gz PWYOTCWWCGSYGN-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001171358342 791868782 /nfs/dbraw/zinc/86/87/82/791868782.db2.gz DCPXDJSYZIKBSM-RRFJBIMHSA-N 2 1 304.438 2.354 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943910 791909675 /nfs/dbraw/zinc/90/96/75/791909675.db2.gz JKPXQQVCLGFKFI-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943910 791909679 /nfs/dbraw/zinc/90/96/79/791909679.db2.gz JKPXQQVCLGFKFI-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943910 791909682 /nfs/dbraw/zinc/90/96/82/791909682.db2.gz JKPXQQVCLGFKFI-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110723 792100023 /nfs/dbraw/zinc/10/00/23/792100023.db2.gz HTXYPWIHTMDSAG-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099122450 792104388 /nfs/dbraw/zinc/10/43/88/792104388.db2.gz UFQKIKCYDMHCLR-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122450 792104396 /nfs/dbraw/zinc/10/43/96/792104396.db2.gz UFQKIKCYDMHCLR-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122450 792104404 /nfs/dbraw/zinc/10/44/04/792104404.db2.gz UFQKIKCYDMHCLR-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467574 792120487 /nfs/dbraw/zinc/12/04/87/792120487.db2.gz OVYLXZXWQFJYJD-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496805 792224020 /nfs/dbraw/zinc/22/40/20/792224020.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496805 792224027 /nfs/dbraw/zinc/22/40/27/792224027.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496805 792224034 /nfs/dbraw/zinc/22/40/34/792224034.db2.gz LSQFXHIRZBYPPA-HZMVEIRTSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405753 792632409 /nfs/dbraw/zinc/63/24/09/792632409.db2.gz LNSZGVUSPGSHCF-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503686 792950201 /nfs/dbraw/zinc/95/02/01/792950201.db2.gz OBNVHWIVIJEPSD-IEBWSBKVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348687 793130032 /nfs/dbraw/zinc/13/00/32/793130032.db2.gz DRYJFVLNCARGPG-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365626 793134059 /nfs/dbraw/zinc/13/40/59/793134059.db2.gz AXZGHODJFMCLGW-RYRKJORJSA-N 2 1 307.482 2.073 20 30 DEEDMP C[C@H](CCCC#N)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172482757 793428184 /nfs/dbraw/zinc/42/81/84/793428184.db2.gz JXPLZIRBOBOWPQ-CQSZACIVSA-N 2 1 324.469 2.387 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206182509 793524586 /nfs/dbraw/zinc/52/45/86/793524586.db2.gz ANWOYALABMCFRZ-IRXDYDNUSA-N 2 1 304.413 2.298 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206182509 793524590 /nfs/dbraw/zinc/52/45/90/793524590.db2.gz ANWOYALABMCFRZ-IRXDYDNUSA-N 2 1 304.413 2.298 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599851 793669030 /nfs/dbraw/zinc/66/90/30/793669030.db2.gz AUKGINYHLJDQCU-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268283 794012176 /nfs/dbraw/zinc/01/21/76/794012176.db2.gz VKLUPEDVOJLGRJ-NXHRZFHOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398541 794073759 /nfs/dbraw/zinc/07/37/59/794073759.db2.gz XOCVMNQIWGSXNO-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176583707 794450656 /nfs/dbraw/zinc/45/06/56/794450656.db2.gz TWWNULMIZXQJDC-ZDUSSCGKSA-N 2 1 312.845 2.209 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782554 794479308 /nfs/dbraw/zinc/47/93/08/794479308.db2.gz NTSKWGMVVRKMCP-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782554 794479311 /nfs/dbraw/zinc/47/93/11/794479311.db2.gz NTSKWGMVVRKMCP-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782554 794479314 /nfs/dbraw/zinc/47/93/14/794479314.db2.gz NTSKWGMVVRKMCP-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782553 794479907 /nfs/dbraw/zinc/47/99/07/794479907.db2.gz NTSKWGMVVRKMCP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782553 794479915 /nfs/dbraw/zinc/47/99/15/794479915.db2.gz NTSKWGMVVRKMCP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782553 794479919 /nfs/dbraw/zinc/47/99/19/794479919.db2.gz NTSKWGMVVRKMCP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855669 794502488 /nfs/dbraw/zinc/50/24/88/794502488.db2.gz HIXMVLLPFPADND-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111938344 794530819 /nfs/dbraw/zinc/53/08/19/794530819.db2.gz XGBHFOPHMLCIKC-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938344 794530822 /nfs/dbraw/zinc/53/08/22/794530822.db2.gz XGBHFOPHMLCIKC-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938344 794530829 /nfs/dbraw/zinc/53/08/29/794530829.db2.gz XGBHFOPHMLCIKC-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115293038 794724484 /nfs/dbraw/zinc/72/44/84/794724484.db2.gz ZSAAPBGWJSGVRF-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178360948 794908969 /nfs/dbraw/zinc/90/89/69/794908969.db2.gz SXWFLHYJAHCJCQ-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409280 795114769 /nfs/dbraw/zinc/11/47/69/795114769.db2.gz KJHORKOKIQYMRC-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133842 795593655 /nfs/dbraw/zinc/59/36/55/795593655.db2.gz INEMSJXIDPQJNZ-NYXDSXFPSA-N 2 1 319.493 2.310 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791566 795687525 /nfs/dbraw/zinc/68/75/25/795687525.db2.gz UIQRLALSYRWEDH-UHFFFAOYSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121973809 795711179 /nfs/dbraw/zinc/71/11/79/795711179.db2.gz BDUTUKMZYMVPNA-DLBZAZTESA-N 2 1 301.434 2.061 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122249848 795739253 /nfs/dbraw/zinc/73/92/53/795739253.db2.gz ZBLAJUXHKXEFGY-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001184533498 796076073 /nfs/dbraw/zinc/07/60/73/796076073.db2.gz FZHSEKYYOOVFHG-GXTWGEPZSA-N 2 1 324.856 2.169 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001137552888 796112748 /nfs/dbraw/zinc/11/27/48/796112748.db2.gz HPPFKCGDEHKBOM-DLBZAZTESA-N 2 1 315.461 2.226 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185215275 796215293 /nfs/dbraw/zinc/21/52/93/796215293.db2.gz KKKOETPJHPTWMK-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185693289 796306100 /nfs/dbraw/zinc/30/61/00/796306100.db2.gz YYEFRJWXBLQQCR-WFASDCNBSA-N 2 1 324.856 2.018 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973618 796428605 /nfs/dbraw/zinc/42/86/05/796428605.db2.gz KYKFOCDYOIYZMQ-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219232 796645594 /nfs/dbraw/zinc/64/55/94/796645594.db2.gz IKVAIKIORCNRCG-SOLBZPMBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219232 796645598 /nfs/dbraw/zinc/64/55/98/796645598.db2.gz IKVAIKIORCNRCG-SOLBZPMBSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979182 796758282 /nfs/dbraw/zinc/75/82/82/796758282.db2.gz KJQGKOMRGURZLR-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062008 797130845 /nfs/dbraw/zinc/13/08/45/797130845.db2.gz PXCMHOSRPRFUFZ-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191062008 797130847 /nfs/dbraw/zinc/13/08/47/797130847.db2.gz PXCMHOSRPRFUFZ-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191062008 797130850 /nfs/dbraw/zinc/13/08/50/797130850.db2.gz PXCMHOSRPRFUFZ-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080557 797133398 /nfs/dbraw/zinc/13/33/98/797133398.db2.gz IWQFKBAKRWLZBW-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360845 797189961 /nfs/dbraw/zinc/18/99/61/797189961.db2.gz TYQGRQMEYXSNLZ-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360845 797189966 /nfs/dbraw/zinc/18/99/66/797189966.db2.gz TYQGRQMEYXSNLZ-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360845 797189969 /nfs/dbraw/zinc/18/99/69/797189969.db2.gz TYQGRQMEYXSNLZ-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455563 797538486 /nfs/dbraw/zinc/53/84/86/797538486.db2.gz UDMHGFAPHAGVBB-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194011596 797662459 /nfs/dbraw/zinc/66/24/59/797662459.db2.gz VGQFSGCZTFULQP-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194011596 797662464 /nfs/dbraw/zinc/66/24/64/797662464.db2.gz VGQFSGCZTFULQP-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194011596 797662466 /nfs/dbraw/zinc/66/24/66/797662466.db2.gz VGQFSGCZTFULQP-SJORKVTESA-N 2 1 309.498 2.441 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080214 797674370 /nfs/dbraw/zinc/67/43/70/797674370.db2.gz IMARHCUAXZQDMQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275819 797697409 /nfs/dbraw/zinc/69/74/09/797697409.db2.gz YFGGXVCSGIGYES-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255550 797718903 /nfs/dbraw/zinc/71/89/03/797718903.db2.gz SPXSWRWIVGDEFZ-QGZVFWFLSA-N 2 1 317.477 2.174 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255550 797718907 /nfs/dbraw/zinc/71/89/07/797718907.db2.gz SPXSWRWIVGDEFZ-QGZVFWFLSA-N 2 1 317.477 2.174 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255550 797718911 /nfs/dbraw/zinc/71/89/11/797718911.db2.gz SPXSWRWIVGDEFZ-QGZVFWFLSA-N 2 1 317.477 2.174 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCCC)CC1 ZINC001196191688 798013210 /nfs/dbraw/zinc/01/32/10/798013210.db2.gz LAABUGMVQJLONO-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001196191688 798013217 /nfs/dbraw/zinc/01/32/17/798013217.db2.gz LAABUGMVQJLONO-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCC)CC1 ZINC001196191688 798013221 /nfs/dbraw/zinc/01/32/21/798013221.db2.gz LAABUGMVQJLONO-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCC)CC1 ZINC001196191688 798013229 /nfs/dbraw/zinc/01/32/29/798013229.db2.gz LAABUGMVQJLONO-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197158189 798157336 /nfs/dbraw/zinc/15/73/36/798157336.db2.gz KJQCWERMCBUOTH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001197158189 798157339 /nfs/dbraw/zinc/15/73/39/798157339.db2.gz KJQCWERMCBUOTH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001197158189 798157341 /nfs/dbraw/zinc/15/73/41/798157341.db2.gz KJQCWERMCBUOTH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001157256443 798171389 /nfs/dbraw/zinc/17/13/89/798171389.db2.gz UUUHGPFEIXXVHX-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396749 798181826 /nfs/dbraw/zinc/18/18/26/798181826.db2.gz MODNROKZXWBHPD-JKSUJKDBSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001197396749 798181828 /nfs/dbraw/zinc/18/18/28/798181828.db2.gz MODNROKZXWBHPD-JKSUJKDBSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646133 798442994 /nfs/dbraw/zinc/44/29/94/798442994.db2.gz GYIQAVLFUPCFPC-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704161 798453445 /nfs/dbraw/zinc/45/34/45/798453445.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001158704161 798453448 /nfs/dbraw/zinc/45/34/48/798453448.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704161 798453452 /nfs/dbraw/zinc/45/34/52/798453452.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704161 798453456 /nfs/dbraw/zinc/45/34/56/798453456.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704161 798453458 /nfs/dbraw/zinc/45/34/58/798453458.db2.gz GCLPATSNNPCBDU-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577804 798652872 /nfs/dbraw/zinc/65/28/72/798652872.db2.gz HHSBIWZDXSVTRP-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001160198195 798660939 /nfs/dbraw/zinc/66/09/39/798660939.db2.gz WLZNGPHPPGNNFQ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCCC1 ZINC001160198195 798660940 /nfs/dbraw/zinc/66/09/40/798660940.db2.gz WLZNGPHPPGNNFQ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567668 798706630 /nfs/dbraw/zinc/70/66/30/798706630.db2.gz ISEHLKNTECGSJV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567668 798706633 /nfs/dbraw/zinc/70/66/33/798706633.db2.gz ISEHLKNTECGSJV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567668 798706636 /nfs/dbraw/zinc/70/66/36/798706636.db2.gz ISEHLKNTECGSJV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201067094 798707775 /nfs/dbraw/zinc/70/77/75/798707775.db2.gz WVVCKFAOLWXLCN-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001201117827 798713612 /nfs/dbraw/zinc/71/36/12/798713612.db2.gz FBPBJFYDIBMFKW-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001201117797 798713902 /nfs/dbraw/zinc/71/39/02/798713902.db2.gz DPOTWHVKEIVHAF-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201321219 798739808 /nfs/dbraw/zinc/73/98/08/798739808.db2.gz ICFOIRVAIAABPE-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001161438794 798858606 /nfs/dbraw/zinc/85/86/06/798858606.db2.gz DUEIZQKNRIBECH-HNNXBMFYSA-N 2 1 316.449 2.303 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001161438794 798858616 /nfs/dbraw/zinc/85/86/16/798858616.db2.gz DUEIZQKNRIBECH-HNNXBMFYSA-N 2 1 316.449 2.303 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765875 799017191 /nfs/dbraw/zinc/01/71/91/799017191.db2.gz VDVVYFONNBDLDY-ZACQAIPSSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cncc1C)C2 ZINC001110817194 799043463 /nfs/dbraw/zinc/04/34/63/799043463.db2.gz QYCIUACIXNIKOW-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817194 799043466 /nfs/dbraw/zinc/04/34/66/799043466.db2.gz QYCIUACIXNIKOW-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817194 799043472 /nfs/dbraw/zinc/04/34/72/799043472.db2.gz QYCIUACIXNIKOW-SVGFKBNWSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162663596 799141623 /nfs/dbraw/zinc/14/16/23/799141623.db2.gz YIHIFSAJVCPZSL-HNNXBMFYSA-N 2 1 318.465 2.213 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095405018 799479351 /nfs/dbraw/zinc/47/93/51/799479351.db2.gz KEMCYNMQYUFSSL-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001165545159 799743642 /nfs/dbraw/zinc/74/36/42/799743642.db2.gz DSSPWEYVVXDZOH-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(C)C)CC1 ZINC001165545159 799743645 /nfs/dbraw/zinc/74/36/45/799743645.db2.gz DSSPWEYVVXDZOH-KRWDZBQOSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110995511 799816962 /nfs/dbraw/zinc/81/69/62/799816962.db2.gz YOXOJCKNKIFXPB-WCXIOVBPSA-N 2 1 307.482 2.260 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793352 799951917 /nfs/dbraw/zinc/95/19/17/799951917.db2.gz KJEMVKIYPVDIOA-INIZCTEOSA-N 2 1 307.482 2.171 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203426395 800045600 /nfs/dbraw/zinc/04/56/00/800045600.db2.gz JPYIKCKIVLORMH-HOTGVXAUSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792313 800124133 /nfs/dbraw/zinc/12/41/33/800124133.db2.gz OSSASHFPWMLTIL-CVEARBPZSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457806 800359588 /nfs/dbraw/zinc/35/95/88/800359588.db2.gz QPKVVAUMUQIVHX-GOSISDBHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450530 800723068 /nfs/dbraw/zinc/72/30/68/800723068.db2.gz FBWHTFQVJBWOIW-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CC[NH2+]CC1)CCO2 ZINC001207436972 800752491 /nfs/dbraw/zinc/75/24/91/800752491.db2.gz MTUWIZODNUJYSD-ZWKOTPCHSA-N 2 1 308.466 2.060 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074147 800906763 /nfs/dbraw/zinc/90/67/63/800906763.db2.gz STPMOVMEKHDXII-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001208352523 800961873 /nfs/dbraw/zinc/96/18/73/800961873.db2.gz HTAKOWHEZCPHHB-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001208352523 800961877 /nfs/dbraw/zinc/96/18/77/800961877.db2.gz HTAKOWHEZCPHHB-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208613560 801033926 /nfs/dbraw/zinc/03/39/26/801033926.db2.gz NUDJSIXQJONLDZ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208613560 801033931 /nfs/dbraw/zinc/03/39/31/801033931.db2.gz NUDJSIXQJONLDZ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208613560 801033935 /nfs/dbraw/zinc/03/39/35/801033935.db2.gz NUDJSIXQJONLDZ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725109 801265498 /nfs/dbraw/zinc/26/54/98/801265498.db2.gz HDRPUNKLALFTPA-ROUUACIJSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725109 801265504 /nfs/dbraw/zinc/26/55/04/801265504.db2.gz HDRPUNKLALFTPA-ROUUACIJSA-N 2 1 317.433 2.068 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210134675 801339183 /nfs/dbraw/zinc/33/91/83/801339183.db2.gz XWYFSYMWIJPXFJ-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230614093 801437377 /nfs/dbraw/zinc/43/73/77/801437377.db2.gz WPUCIOQJCJVNOP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230614093 801437381 /nfs/dbraw/zinc/43/73/81/801437381.db2.gz WPUCIOQJCJVNOP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230614093 801437385 /nfs/dbraw/zinc/43/73/85/801437385.db2.gz WPUCIOQJCJVNOP-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618071 801437895 /nfs/dbraw/zinc/43/78/95/801437895.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618071 801437899 /nfs/dbraw/zinc/43/78/99/801437899.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618071 801437903 /nfs/dbraw/zinc/43/79/03/801437903.db2.gz JRHDKKYILVFHHT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211024971 801500185 /nfs/dbraw/zinc/50/01/85/801500185.db2.gz DMSHJQNVOLVWNK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211024971 801500190 /nfs/dbraw/zinc/50/01/90/801500190.db2.gz DMSHJQNVOLVWNK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211024971 801500193 /nfs/dbraw/zinc/50/01/93/801500193.db2.gz DMSHJQNVOLVWNK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233079461 802022241 /nfs/dbraw/zinc/02/22/41/802022241.db2.gz DQKBERWTJSXBHX-UHFFFAOYSA-N 2 1 314.477 2.326 20 30 DEEDMP COCCN(Cc1ccc(C#N)cc1C)C1CC[NH+](C)CC1 ZINC001233081152 802023444 /nfs/dbraw/zinc/02/34/44/802023444.db2.gz QJRADJSQASWRNB-UHFFFAOYSA-N 2 1 301.434 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091898 802641368 /nfs/dbraw/zinc/64/13/68/802641368.db2.gz CDYWJKAYXQNXJW-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091898 802641370 /nfs/dbraw/zinc/64/13/70/802641370.db2.gz CDYWJKAYXQNXJW-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489237 802795567 /nfs/dbraw/zinc/79/55/67/802795567.db2.gz KRDIMRBDBNMKPN-SQNIBIBYSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227006 802848876 /nfs/dbraw/zinc/84/88/76/802848876.db2.gz AVXUWDUOVHSSAZ-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227225109 803217954 /nfs/dbraw/zinc/21/79/54/803217954.db2.gz KOTQPAWVZTVHHZ-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001227381535 803236026 /nfs/dbraw/zinc/23/60/26/803236026.db2.gz VODPUXDFZJFPJA-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228853530 803421625 /nfs/dbraw/zinc/42/16/25/803421625.db2.gz QSUMSMFIMJHZFZ-HZPDHXFCSA-N 2 1 316.449 2.047 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCCC1 ZINC001419319063 1168396806 /nfs/dbraw/zinc/39/68/06/1168396806.db2.gz VXDNPEFJKQQMLW-UHFFFAOYSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC001328099550 1148720982 /nfs/dbraw/zinc/72/09/82/1148720982.db2.gz WDRPUCWAJIJTIA-MRXNPFEDSA-N 2 1 318.465 2.444 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001328738793 1148830260 /nfs/dbraw/zinc/83/02/60/1148830260.db2.gz YPUNORFEGSTSDP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001328738793 1148830263 /nfs/dbraw/zinc/83/02/63/1148830263.db2.gz YPUNORFEGSTSDP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001328738793 1148830264 /nfs/dbraw/zinc/83/02/64/1148830264.db2.gz YPUNORFEGSTSDP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001264623750 1144578744 /nfs/dbraw/zinc/57/87/44/1144578744.db2.gz MUXTVVRMLHKNLY-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001264623750 1144578753 /nfs/dbraw/zinc/57/87/53/1144578753.db2.gz MUXTVVRMLHKNLY-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001501665983 1059618444 /nfs/dbraw/zinc/61/84/44/1059618444.db2.gz XUZDRPHTSVRGKB-UHFFFAOYSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001502004626 1059858534 /nfs/dbraw/zinc/85/85/34/1059858534.db2.gz AFAUZZZDRWGQCK-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001502007582 1059862958 /nfs/dbraw/zinc/86/29/58/1059862958.db2.gz YREVJCFYIMUFKR-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406875 1060117260 /nfs/dbraw/zinc/11/72/60/1060117260.db2.gz VOAITMARXMPEOZ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546613 1060173622 /nfs/dbraw/zinc/17/36/22/1060173622.db2.gz UVKCQHYTXTXCPM-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001503024116 1060426494 /nfs/dbraw/zinc/42/64/94/1060426494.db2.gz SUCYLLXAKUZWIU-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001503764967 1060469083 /nfs/dbraw/zinc/46/90/83/1060469083.db2.gz YQBXTWNBPWDCBI-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456570 1060625967 /nfs/dbraw/zinc/62/59/67/1060625967.db2.gz YGWVJTIQRXULGB-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456570 1060625973 /nfs/dbraw/zinc/62/59/73/1060625973.db2.gz YGWVJTIQRXULGB-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505456570 1060625980 /nfs/dbraw/zinc/62/59/80/1060625980.db2.gz YGWVJTIQRXULGB-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505456570 1060625986 /nfs/dbraw/zinc/62/59/86/1060625986.db2.gz YGWVJTIQRXULGB-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001472971348 1060628553 /nfs/dbraw/zinc/62/85/53/1060628553.db2.gz ZLWGHDNKYUWJFD-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001472971348 1060628558 /nfs/dbraw/zinc/62/85/58/1060628558.db2.gz ZLWGHDNKYUWJFD-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001479688054 1061599105 /nfs/dbraw/zinc/59/91/05/1061599105.db2.gz OMKOBBGPRGUHGA-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480255140 1062538686 /nfs/dbraw/zinc/53/86/86/1062538686.db2.gz QGTVEOFPDCPNRW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255140 1062538710 /nfs/dbraw/zinc/53/87/10/1062538710.db2.gz QGTVEOFPDCPNRW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255140 1062538732 /nfs/dbraw/zinc/53/87/32/1062538732.db2.gz QGTVEOFPDCPNRW-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC=C(C)C)C(C)C ZINC001506986916 1062636097 /nfs/dbraw/zinc/63/60/97/1062636097.db2.gz IOTFXDUGTLNVBM-MSOLQXFVSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC=C(C)C)C(C)C ZINC001506986916 1062636105 /nfs/dbraw/zinc/63/61/05/1062636105.db2.gz IOTFXDUGTLNVBM-MSOLQXFVSA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC=C ZINC001480351754 1062696756 /nfs/dbraw/zinc/69/67/56/1062696756.db2.gz OUVZUKQDNRVPRM-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC=C ZINC001480351754 1062696767 /nfs/dbraw/zinc/69/67/67/1062696767.db2.gz OUVZUKQDNRVPRM-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480381524 1062758759 /nfs/dbraw/zinc/75/87/59/1062758759.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381524 1062758772 /nfs/dbraw/zinc/75/87/72/1062758772.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381524 1062758792 /nfs/dbraw/zinc/75/87/92/1062758792.db2.gz CTPPQZKNBMKCAO-IAGOWNOFSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480738528 1063269715 /nfs/dbraw/zinc/26/97/15/1063269715.db2.gz GJOKZNPEJNPFBF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480738528 1063269729 /nfs/dbraw/zinc/26/97/29/1063269729.db2.gz GJOKZNPEJNPFBF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480738528 1063269752 /nfs/dbraw/zinc/26/97/52/1063269752.db2.gz GJOKZNPEJNPFBF-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480833874 1063424893 /nfs/dbraw/zinc/42/48/93/1063424893.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480833874 1063424910 /nfs/dbraw/zinc/42/49/10/1063424910.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001480833874 1063424923 /nfs/dbraw/zinc/42/49/23/1063424923.db2.gz ZFXLMIHFLWAQFS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C#CC[NH+]1CC=C(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001508216274 1063614955 /nfs/dbraw/zinc/61/49/55/1063614955.db2.gz SFCRZNBJWMSYLM-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001508216274 1063614963 /nfs/dbraw/zinc/61/49/63/1063614963.db2.gz SFCRZNBJWMSYLM-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001508216274 1063614972 /nfs/dbraw/zinc/61/49/72/1063614972.db2.gz SFCRZNBJWMSYLM-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CCCCC1 ZINC001567334879 1064149884 /nfs/dbraw/zinc/14/98/84/1064149884.db2.gz DUYQKBMHUMOCMP-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC1CCCCC1 ZINC001567334879 1064149888 /nfs/dbraw/zinc/14/98/88/1064149888.db2.gz DUYQKBMHUMOCMP-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCCCC1 ZINC001567334879 1064149897 /nfs/dbraw/zinc/14/98/97/1064149897.db2.gz DUYQKBMHUMOCMP-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCCCC1 ZINC001567334879 1064149901 /nfs/dbraw/zinc/14/99/01/1064149901.db2.gz DUYQKBMHUMOCMP-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567409685 1064186867 /nfs/dbraw/zinc/18/68/67/1064186867.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409685 1064186871 /nfs/dbraw/zinc/18/68/71/1064186871.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409685 1064186875 /nfs/dbraw/zinc/18/68/75/1064186875.db2.gz MKCVURTVJKXWOZ-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001567497326 1064225865 /nfs/dbraw/zinc/22/58/65/1064225865.db2.gz UNRSBRUTXCINII-CYBMUJFWSA-N 2 1 312.845 2.197 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567729501 1064381062 /nfs/dbraw/zinc/38/10/62/1064381062.db2.gz IGGDNRUTPCGXOG-CVEARBPZSA-N 2 1 313.461 2.023 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001567940760 1064544771 /nfs/dbraw/zinc/54/47/71/1064544771.db2.gz MCENPSNYYUAMID-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001567940760 1064544788 /nfs/dbraw/zinc/54/47/88/1064544788.db2.gz MCENPSNYYUAMID-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942161 1064548536 /nfs/dbraw/zinc/54/85/36/1064548536.db2.gz LFMZYVXYXAZWGQ-IAGOWNOFSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568139420 1064666872 /nfs/dbraw/zinc/66/68/72/1064666872.db2.gz YOZWRBIHXGTUSD-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001568499872 1064916223 /nfs/dbraw/zinc/91/62/23/1064916223.db2.gz VIFXEXCQIIUCNC-UHFFFAOYSA-N 2 1 303.450 2.328 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496326749 1065409488 /nfs/dbraw/zinc/40/94/88/1065409488.db2.gz OTUQPSKNXIZKIY-FUHWJXTLSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569386854 1065484298 /nfs/dbraw/zinc/48/42/98/1065484298.db2.gz WZDXBBSGTCDAPE-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001496488825 1065505866 /nfs/dbraw/zinc/50/58/66/1065505866.db2.gz CKOGLXKKPXIEJH-SWLSCSKDSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001569437036 1065506319 /nfs/dbraw/zinc/50/63/19/1065506319.db2.gz OUOJPGIEQJCARB-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001569437036 1065506333 /nfs/dbraw/zinc/50/63/33/1065506333.db2.gz OUOJPGIEQJCARB-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001569437036 1065506346 /nfs/dbraw/zinc/50/63/46/1065506346.db2.gz OUOJPGIEQJCARB-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466810 1065523332 /nfs/dbraw/zinc/52/33/32/1065523332.db2.gz FYZRUPXMMFRSEZ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001569576373 1065603906 /nfs/dbraw/zinc/60/39/06/1065603906.db2.gz OBYOLXORQPQSIU-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001569702149 1065680202 /nfs/dbraw/zinc/68/02/02/1065680202.db2.gz QGEJCJZKMRTJAU-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001570200897 1065972326 /nfs/dbraw/zinc/97/23/26/1065972326.db2.gz KWOGJGCXIMJZOJ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP CC(C)[C@H](C[NH3+])C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001575421916 1066297408 /nfs/dbraw/zinc/29/74/08/1066297408.db2.gz CTSQSPMKUCMEET-MSOLQXFVSA-N 2 1 300.450 2.100 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001497818081 1066345594 /nfs/dbraw/zinc/34/55/94/1066345594.db2.gz ZRAXHAOWNPKORP-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309158 1148520537 /nfs/dbraw/zinc/52/05/37/1148520537.db2.gz UJFMJVWMICSRDM-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001632827271 1078391880 /nfs/dbraw/zinc/39/18/80/1078391880.db2.gz VMICTVKHAZQITK-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001498657596 1066825740 /nfs/dbraw/zinc/82/57/40/1066825740.db2.gz KMDCIZSVDHKSPC-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001499253264 1067156046 /nfs/dbraw/zinc/15/60/46/1067156046.db2.gz BELKGLBWCZLBDU-INIZCTEOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1 ZINC001499253264 1067156047 /nfs/dbraw/zinc/15/60/47/1067156047.db2.gz BELKGLBWCZLBDU-INIZCTEOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267073172 1078547536 /nfs/dbraw/zinc/54/75/36/1078547536.db2.gz PATQBDLDGCYERQ-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267073172 1078547546 /nfs/dbraw/zinc/54/75/46/1078547546.db2.gz PATQBDLDGCYERQ-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001279585850 1078614470 /nfs/dbraw/zinc/61/44/70/1078614470.db2.gz DJFDENMWNCQRLS-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570544596 1067997282 /nfs/dbraw/zinc/99/72/82/1067997282.db2.gz ZJVWWDNSDRLZDX-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570544596 1067997284 /nfs/dbraw/zinc/99/72/84/1067997284.db2.gz ZJVWWDNSDRLZDX-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570544596 1067997285 /nfs/dbraw/zinc/99/72/85/1067997285.db2.gz ZJVWWDNSDRLZDX-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001570564323 1068009095 /nfs/dbraw/zinc/00/90/95/1068009095.db2.gz VPVVPRHDUGKFBO-HTWSVDAQSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001571518468 1068382015 /nfs/dbraw/zinc/38/20/15/1068382015.db2.gz FVUZYVQCDNMMSD-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001571518468 1068382033 /nfs/dbraw/zinc/38/20/33/1068382033.db2.gz FVUZYVQCDNMMSD-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001571518468 1068382049 /nfs/dbraw/zinc/38/20/49/1068382049.db2.gz FVUZYVQCDNMMSD-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001267350383 1078785433 /nfs/dbraw/zinc/78/54/33/1078785433.db2.gz DISMUUGSUYEWLM-DLBZAZTESA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001670871841 1078838373 /nfs/dbraw/zinc/83/83/73/1078838373.db2.gz HUSOQSVLMSLBGP-JKSUJKDBSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267460071 1078867414 /nfs/dbraw/zinc/86/74/14/1078867414.db2.gz RBPMACDQKOAGPB-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267460071 1078867422 /nfs/dbraw/zinc/86/74/22/1078867422.db2.gz RBPMACDQKOAGPB-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267460071 1078867429 /nfs/dbraw/zinc/86/74/29/1078867429.db2.gz RBPMACDQKOAGPB-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267459765 1078867540 /nfs/dbraw/zinc/86/75/40/1078867540.db2.gz MPORELOMBTVAGA-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001272440340 1078877043 /nfs/dbraw/zinc/87/70/43/1078877043.db2.gz LDEJCSCCUWBAIC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267560197 1078992397 /nfs/dbraw/zinc/99/23/97/1078992397.db2.gz HUQNKXSHMGRYBO-MRXNPFEDSA-N 2 1 324.428 2.108 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001329342363 1148886248 /nfs/dbraw/zinc/88/62/48/1148886248.db2.gz XKIXZELOGAGCFF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098605 1079181175 /nfs/dbraw/zinc/18/11/75/1079181175.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481098605 1079181177 /nfs/dbraw/zinc/18/11/77/1079181177.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481098605 1079181179 /nfs/dbraw/zinc/18/11/79/1079181179.db2.gz CUIZCRKUUYCQKJ-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011944 1079240911 /nfs/dbraw/zinc/24/09/11/1079240911.db2.gz NPDSHGQEXXMFAT-IRXDYDNUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267680931 1079370172 /nfs/dbraw/zinc/37/01/72/1079370172.db2.gz CCBICWRHIDXQRR-AWEZNQCLSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566625476 1075299858 /nfs/dbraw/zinc/29/98/58/1075299858.db2.gz JWJLQNBIAPAZPV-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566625476 1075299860 /nfs/dbraw/zinc/29/98/60/1075299860.db2.gz JWJLQNBIAPAZPV-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566625476 1075299863 /nfs/dbraw/zinc/29/98/63/1075299863.db2.gz JWJLQNBIAPAZPV-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267689279 1079376294 /nfs/dbraw/zinc/37/62/94/1079376294.db2.gz CWCDEWVDNNEQHD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682261 1075316371 /nfs/dbraw/zinc/31/63/71/1075316371.db2.gz SYNGYPDAUBFNRP-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566795128 1075346872 /nfs/dbraw/zinc/34/68/72/1075346872.db2.gz QOTLFOFZHQMPJV-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567128342 1075438023 /nfs/dbraw/zinc/43/80/23/1075438023.db2.gz NYVZDNKHSXNGPL-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001567263686 1075480753 /nfs/dbraw/zinc/48/07/53/1075480753.db2.gz ZLVOCIBIZSPWEC-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267758993 1079461591 /nfs/dbraw/zinc/46/15/91/1079461591.db2.gz VAEOXJSYUOQWEW-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339645 1079549936 /nfs/dbraw/zinc/54/99/36/1079549936.db2.gz YXEQGVCJCSSUFM-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267932947 1079615054 /nfs/dbraw/zinc/61/50/54/1079615054.db2.gz XHCVSUWHFOGKQQ-YYIAUSFCSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267938404 1079619845 /nfs/dbraw/zinc/61/98/45/1079619845.db2.gz VQPZPPCGFZMJOI-SFHVURJKSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267971245 1079651469 /nfs/dbraw/zinc/65/14/69/1079651469.db2.gz RIUYWDYBOQVAQF-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001267974263 1079657042 /nfs/dbraw/zinc/65/70/42/1079657042.db2.gz RSOFFMALPGUEGP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001484899906 1079844059 /nfs/dbraw/zinc/84/40/59/1079844059.db2.gz PXIFWAZBVNTNTR-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001268044395 1079925106 /nfs/dbraw/zinc/92/51/06/1079925106.db2.gz AIAFSACSKSCLAR-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001481487529 1079944621 /nfs/dbraw/zinc/94/46/21/1079944621.db2.gz DQQQLEUQGGGOJE-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001481487529 1079944625 /nfs/dbraw/zinc/94/46/25/1079944625.db2.gz DQQQLEUQGGGOJE-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001481487529 1079944637 /nfs/dbraw/zinc/94/46/37/1079944637.db2.gz DQQQLEUQGGGOJE-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001481518032 1079987649 /nfs/dbraw/zinc/98/76/49/1079987649.db2.gz DXVYMGKZJUPYCG-SFHVURJKSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001656077842 1080034808 /nfs/dbraw/zinc/03/48/08/1080034808.db2.gz OLIVOQQKUTYRDT-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001656077842 1080034813 /nfs/dbraw/zinc/03/48/13/1080034813.db2.gz OLIVOQQKUTYRDT-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001656077842 1080034817 /nfs/dbraw/zinc/03/48/17/1080034817.db2.gz OLIVOQQKUTYRDT-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485237713 1080084204 /nfs/dbraw/zinc/08/42/04/1080084204.db2.gz UKZBEODZSMCNHF-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001268138021 1080105461 /nfs/dbraw/zinc/10/54/61/1080105461.db2.gz OSHZCOLPMIBYPA-ROUUACIJSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001268138445 1080106087 /nfs/dbraw/zinc/10/60/87/1080106087.db2.gz QTSQNNVJJKDLJQ-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001656630693 1080108382 /nfs/dbraw/zinc/10/83/82/1080108382.db2.gz KKTTUKVIPQMRFL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001656888918 1080134896 /nfs/dbraw/zinc/13/48/96/1080134896.db2.gz AUFYMXGQZKXZIY-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001268200774 1080187463 /nfs/dbraw/zinc/18/74/63/1080187463.db2.gz AIOHIHFGHXYGTP-UHFFFAOYSA-N 2 1 318.465 2.397 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481708165 1080335116 /nfs/dbraw/zinc/33/51/16/1080335116.db2.gz IXNWWOIGAFKSEY-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481708165 1080335128 /nfs/dbraw/zinc/33/51/28/1080335128.db2.gz IXNWWOIGAFKSEY-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481708165 1080335140 /nfs/dbraw/zinc/33/51/40/1080335140.db2.gz IXNWWOIGAFKSEY-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001485666584 1080355766 /nfs/dbraw/zinc/35/57/66/1080355766.db2.gz POIVYJVQFVUYSW-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001485666584 1080355774 /nfs/dbraw/zinc/35/57/74/1080355774.db2.gz POIVYJVQFVUYSW-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001485666584 1080355781 /nfs/dbraw/zinc/35/57/81/1080355781.db2.gz POIVYJVQFVUYSW-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661216133 1080457438 /nfs/dbraw/zinc/45/74/38/1080457438.db2.gz KBTSNAONMAUWAC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661216133 1080457440 /nfs/dbraw/zinc/45/74/40/1080457440.db2.gz KBTSNAONMAUWAC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001661216133 1080457445 /nfs/dbraw/zinc/45/74/45/1080457445.db2.gz KBTSNAONMAUWAC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001662219145 1080584894 /nfs/dbraw/zinc/58/48/94/1080584894.db2.gz CADUXNOVERIFPI-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481957884 1080644458 /nfs/dbraw/zinc/64/44/58/1080644458.db2.gz KTGDPRMQBHDUFC-QFBILLFUSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C[C@]1(NC(=O)C[N@@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481957886 1080644639 /nfs/dbraw/zinc/64/46/39/1080644639.db2.gz KTGDPRMQBHDUFC-VQIMIIECSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662790312 1080655826 /nfs/dbraw/zinc/65/58/26/1080655826.db2.gz GKWOWYIXEOZUOK-CVEARBPZSA-N 2 1 304.438 2.175 20 30 DEEDMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001482021879 1080696172 /nfs/dbraw/zinc/69/61/72/1080696172.db2.gz LMJZOWKMHRFJAZ-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[N@@H+](CC)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001663407094 1080742375 /nfs/dbraw/zinc/74/23/75/1080742375.db2.gz OESSCSGRHHYPBI-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001663407094 1080742380 /nfs/dbraw/zinc/74/23/80/1080742380.db2.gz OESSCSGRHHYPBI-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001663407094 1080742383 /nfs/dbraw/zinc/74/23/83/1080742383.db2.gz OESSCSGRHHYPBI-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001663498114 1080758244 /nfs/dbraw/zinc/75/82/44/1080758244.db2.gz OMTSBVGPHCCUKQ-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001663498114 1080758252 /nfs/dbraw/zinc/75/82/52/1080758252.db2.gz OMTSBVGPHCCUKQ-CVEARBPZSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001664467141 1080913522 /nfs/dbraw/zinc/91/35/22/1080913522.db2.gz FUCLLZWURDFWRG-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001664552812 1080925245 /nfs/dbraw/zinc/92/52/45/1080925245.db2.gz FEJSZGIMRHFXTB-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001665200008 1081000139 /nfs/dbraw/zinc/00/01/39/1081000139.db2.gz HUPWDPIBPKHKJU-NVXWUHKLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001665200008 1081000146 /nfs/dbraw/zinc/00/01/46/1081000146.db2.gz HUPWDPIBPKHKJU-NVXWUHKLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001666055440 1081117906 /nfs/dbraw/zinc/11/79/06/1081117906.db2.gz JWZRDZVIWDBUMD-MAUKXSAKSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269151874 1081140487 /nfs/dbraw/zinc/14/04/87/1081140487.db2.gz YLLNTWHXLQFSJO-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001666333609 1081144620 /nfs/dbraw/zinc/14/46/20/1081144620.db2.gz YQDLEGASMXDJHP-GOSISDBHSA-N 2 1 315.461 2.453 20 30 DEEDMP C#CC[NH2+]Cc1ccc(CNC(=O)CCCn2cc[nH+]c2C)cc1 ZINC001666344782 1081146824 /nfs/dbraw/zinc/14/68/24/1081146824.db2.gz OMPUPMKOQFDBDM-UHFFFAOYSA-N 2 1 324.428 2.011 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001482232162 1081295704 /nfs/dbraw/zinc/29/57/04/1081295704.db2.gz CFXPAJZPWIRLFT-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001668994908 1081416707 /nfs/dbraw/zinc/41/67/07/1081416707.db2.gz CUMKIFNLEIRDFT-ZEVQVBBLSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001270087979 1081446941 /nfs/dbraw/zinc/44/69/41/1081446941.db2.gz HDBUJYIUJVJKRY-SFHVURJKSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001280163755 1081451182 /nfs/dbraw/zinc/45/11/82/1081451182.db2.gz KUEFRICRHUAWMP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001669811664 1081471809 /nfs/dbraw/zinc/47/18/09/1081471809.db2.gz PDMOIPGKKMQZKW-GJZGRUSLSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001669811664 1081471810 /nfs/dbraw/zinc/47/18/10/1081471810.db2.gz PDMOIPGKKMQZKW-GJZGRUSLSA-N 2 1 306.454 2.409 20 30 DEEDMP CC#CC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001270249669 1081485412 /nfs/dbraw/zinc/48/54/12/1081485412.db2.gz VVKRXDYARIHNQO-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000951195473 1081488914 /nfs/dbraw/zinc/48/89/14/1081488914.db2.gz INUDDYCIFDYGGQ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000951195473 1081488916 /nfs/dbraw/zinc/48/89/16/1081488916.db2.gz INUDDYCIFDYGGQ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403793 1081519211 /nfs/dbraw/zinc/51/92/11/1081519211.db2.gz MIHMATNYLYLWMO-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CCCn2ccnc2)C1 ZINC001671698067 1081534650 /nfs/dbraw/zinc/53/46/50/1081534650.db2.gz AGVPLOUJJQGUOE-KRWDZBQOSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001671775826 1081538305 /nfs/dbraw/zinc/53/83/05/1081538305.db2.gz XPZUYTYQWCYAAG-XYJFISCASA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628423 1081546218 /nfs/dbraw/zinc/54/62/18/1081546218.db2.gz QQPVXSAOHJIZSB-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628423 1081546223 /nfs/dbraw/zinc/54/62/23/1081546223.db2.gz QQPVXSAOHJIZSB-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001673241793 1081749192 /nfs/dbraw/zinc/74/91/92/1081749192.db2.gz CTOGDRSFFDXLEV-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001482372812 1081769483 /nfs/dbraw/zinc/76/94/83/1081769483.db2.gz VWQODTZNZAYGRH-OAHLLOKOSA-N 2 1 323.868 2.307 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001482372812 1081769485 /nfs/dbraw/zinc/76/94/85/1081769485.db2.gz VWQODTZNZAYGRH-OAHLLOKOSA-N 2 1 323.868 2.307 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001674480268 1081879121 /nfs/dbraw/zinc/87/91/21/1081879121.db2.gz FOWCPLBPMGAHQN-IRXDYDNUSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505505 1081883593 /nfs/dbraw/zinc/88/35/93/1081883593.db2.gz OLEAHAATSHSXIC-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373808 1082005837 /nfs/dbraw/zinc/00/58/37/1082005837.db2.gz LXHHJCJVDDERGN-QGZVFWFLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001266489124 1082070512 /nfs/dbraw/zinc/07/05/12/1082070512.db2.gz XCTUDJODCIJHIG-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001266599938 1082186048 /nfs/dbraw/zinc/18/60/48/1082186048.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001266599938 1082186051 /nfs/dbraw/zinc/18/60/51/1082186051.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001266599938 1082186054 /nfs/dbraw/zinc/18/60/54/1082186054.db2.gz CPWSWPQOQMPGRJ-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001276644207 1083529945 /nfs/dbraw/zinc/52/99/45/1083529945.db2.gz ZSCSBWMHMIJREP-DLBZAZTESA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001277345102 1083918584 /nfs/dbraw/zinc/91/85/84/1083918584.db2.gz FYLJKAPEIIZIQK-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473665 1083991277 /nfs/dbraw/zinc/99/12/77/1083991277.db2.gz HTRGUHUXRHVJOY-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235334145 1084392224 /nfs/dbraw/zinc/39/22/24/1084392224.db2.gz HETXVTBJULRXQY-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001485887239 1084963694 /nfs/dbraw/zinc/96/36/94/1084963694.db2.gz VGKAWNVVQBALBX-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001485887239 1084963701 /nfs/dbraw/zinc/96/37/01/1084963701.db2.gz VGKAWNVVQBALBX-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486409481 1085279627 /nfs/dbraw/zinc/27/96/27/1085279627.db2.gz HQKBPKIUFUTPTO-OAHLLOKOSA-N 2 1 309.498 2.108 20 30 DEEDMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001486444235 1085315617 /nfs/dbraw/zinc/31/56/17/1085315617.db2.gz TWIXKDLLROTBQC-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486449832 1085320570 /nfs/dbraw/zinc/32/05/70/1085320570.db2.gz RQFQIIQAGPSCSC-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000964693001 1085380748 /nfs/dbraw/zinc/38/07/48/1085380748.db2.gz WJFLGTBVUNTAAC-XLWKGDHDSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960709921 1085423456 /nfs/dbraw/zinc/42/34/56/1085423456.db2.gz FBTSMWJFIJDVMT-PIIMJCKOSA-N 2 1 324.428 2.269 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216956 1085640149 /nfs/dbraw/zinc/64/01/49/1085640149.db2.gz BPMNSNIXNKUAFZ-QZTJIDSGSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCN1CC2(CCC1=O)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144787 1086803558 /nfs/dbraw/zinc/80/35/58/1086803558.db2.gz SPXAAOIWEFECCX-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114840421 1089027346 /nfs/dbraw/zinc/02/73/46/1089027346.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 2 1 321.509 2.365 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114840421 1089027361 /nfs/dbraw/zinc/02/73/61/1089027361.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 2 1 321.509 2.365 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114840421 1089027378 /nfs/dbraw/zinc/02/73/78/1089027378.db2.gz KLZMGOJWHIOXBY-CBZIJGRNSA-N 2 1 321.509 2.365 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944410 1090111221 /nfs/dbraw/zinc/11/12/21/1090111221.db2.gz UJXYAKQSVLAHES-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938733 1090531043 /nfs/dbraw/zinc/53/10/43/1090531043.db2.gz COBZTGRLDLQVII-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953310 1090542190 /nfs/dbraw/zinc/54/21/90/1090542190.db2.gz BOTQFALCIXERGV-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953310 1090542195 /nfs/dbraw/zinc/54/21/95/1090542195.db2.gz BOTQFALCIXERGV-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274228069 1091132102 /nfs/dbraw/zinc/13/21/02/1091132102.db2.gz FGLIGMZCDKNOLL-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274369468 1091210548 /nfs/dbraw/zinc/21/05/48/1091210548.db2.gz QMNDMMPBUACVBW-ZPUOCTKUSA-N 2 1 311.445 2.037 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001275114728 1091564751 /nfs/dbraw/zinc/56/47/51/1091564751.db2.gz KQUDPIVVTWAFLS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275114728 1091564761 /nfs/dbraw/zinc/56/47/61/1091564761.db2.gz KQUDPIVVTWAFLS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275114728 1091564770 /nfs/dbraw/zinc/56/47/70/1091564770.db2.gz KQUDPIVVTWAFLS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)C ZINC001275116307 1091565304 /nfs/dbraw/zinc/56/53/04/1091565304.db2.gz VXEZSXNZJRBXMK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)C ZINC001275116307 1091565314 /nfs/dbraw/zinc/56/53/14/1091565314.db2.gz VXEZSXNZJRBXMK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCC(C)C ZINC001275116307 1091565321 /nfs/dbraw/zinc/56/53/21/1091565321.db2.gz VXEZSXNZJRBXMK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCC(C)C ZINC001275116307 1091565336 /nfs/dbraw/zinc/56/53/36/1091565336.db2.gz VXEZSXNZJRBXMK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001275295469 1091657543 /nfs/dbraw/zinc/65/75/43/1091657543.db2.gz PSQLSINADKLLSI-UHFFFAOYSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653161 1091951232 /nfs/dbraw/zinc/95/12/32/1091951232.db2.gz CGPXRPKDWAVVIK-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653161 1091951242 /nfs/dbraw/zinc/95/12/42/1091951242.db2.gz CGPXRPKDWAVVIK-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001275888149 1092275273 /nfs/dbraw/zinc/27/52/73/1092275273.db2.gz VBNFMMWWMREQEU-INIZCTEOSA-N 2 1 317.477 2.417 20 30 DEEDMP C#CCCC[NH+]1CCC2(CCC[N@H+](COCCOC)C2)CC1 ZINC001275976012 1092421110 /nfs/dbraw/zinc/42/11/10/1092421110.db2.gz WCNOVAJKJVHUGT-UHFFFAOYSA-N 2 1 308.466 2.198 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001489297643 1093007388 /nfs/dbraw/zinc/00/73/88/1093007388.db2.gz OKUUAVQCMBYRHM-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001489297643 1093007392 /nfs/dbraw/zinc/00/73/92/1093007392.db2.gz OKUUAVQCMBYRHM-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1 ZINC001236320700 1138351526 /nfs/dbraw/zinc/35/15/26/1138351526.db2.gz BCZMFZCIMJVWHK-HDICACEKSA-N 2 1 312.461 2.468 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278253611 1138859544 /nfs/dbraw/zinc/85/95/44/1138859544.db2.gz XFBZFUJFOPBNCM-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668491 1140295470 /nfs/dbraw/zinc/29/54/70/1140295470.db2.gz IDXILUHHLKEJND-QGZVFWFLSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318474053 1140343244 /nfs/dbraw/zinc/34/32/44/1140343244.db2.gz RBNXZOLUPNLNIN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318474053 1140343255 /nfs/dbraw/zinc/34/32/55/1140343255.db2.gz RBNXZOLUPNLNIN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001318474053 1140343263 /nfs/dbraw/zinc/34/32/63/1140343263.db2.gz RBNXZOLUPNLNIN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318782884 1140414739 /nfs/dbraw/zinc/41/47/39/1140414739.db2.gz ZHNXSWIJHZSIKA-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001318930857 1140469730 /nfs/dbraw/zinc/46/97/30/1140469730.db2.gz IJUMVFKZLMPNPM-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001246202960 1140872560 /nfs/dbraw/zinc/87/25/60/1140872560.db2.gz PVWXMIHAZRDCPL-NRXISQOPSA-N 2 1 309.454 2.498 20 30 DEEDMP C=CCO[C@@H]1CC[NH+]([C@H](C)CC[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899693 1140979902 /nfs/dbraw/zinc/97/99/02/1140979902.db2.gz VDQFGWBAGHPHFF-KZNAEPCWSA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899693 1140979912 /nfs/dbraw/zinc/97/99/12/1140979912.db2.gz VDQFGWBAGHPHFF-KZNAEPCWSA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899693 1140979920 /nfs/dbraw/zinc/97/99/20/1140979920.db2.gz VDQFGWBAGHPHFF-KZNAEPCWSA-N 2 1 308.466 2.319 20 30 DEEDMP N#CC1(c2ccccc2)CCC(N2CC[NH2+]C[C@@]23CC[NH2+]C3)CC1 ZINC001246632074 1141013005 /nfs/dbraw/zinc/01/30/05/1141013005.db2.gz UGPWMSZDHSDDLW-MHJFOBGBSA-N 2 1 324.472 2.028 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642351 1141873148 /nfs/dbraw/zinc/87/31/48/1141873148.db2.gz MGRBFFKOKDPHAU-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001323695895 1141877953 /nfs/dbraw/zinc/87/79/53/1141877953.db2.gz JZLFXHVADNGMCI-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001323695895 1141877957 /nfs/dbraw/zinc/87/79/57/1141877957.db2.gz JZLFXHVADNGMCI-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001323695895 1141877958 /nfs/dbraw/zinc/87/79/58/1141877958.db2.gz JZLFXHVADNGMCI-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001323873525 1141895210 /nfs/dbraw/zinc/89/52/10/1141895210.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001323873525 1141895211 /nfs/dbraw/zinc/89/52/11/1141895211.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001323873525 1141895212 /nfs/dbraw/zinc/89/52/12/1141895212.db2.gz PEXVNAGHWISDNO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001324072408 1142000284 /nfs/dbraw/zinc/00/02/84/1142000284.db2.gz INAHYMWAJUBDLI-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001252594741 1142774304 /nfs/dbraw/zinc/77/43/04/1142774304.db2.gz BCXMJRWMBJQGNB-OAGGEKHMSA-N 2 1 306.475 2.439 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001421638406 1171877294 /nfs/dbraw/zinc/87/72/94/1171877294.db2.gz OPEOUBDEUMNOSI-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001421638406 1171877297 /nfs/dbraw/zinc/87/72/97/1171877297.db2.gz OPEOUBDEUMNOSI-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638406 1171877299 /nfs/dbraw/zinc/87/72/99/1171877299.db2.gz OPEOUBDEUMNOSI-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638406 1171877304 /nfs/dbraw/zinc/87/73/04/1171877304.db2.gz OPEOUBDEUMNOSI-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001341716557 1143677875 /nfs/dbraw/zinc/67/78/75/1143677875.db2.gz HXSKQSXGVZABJC-MSOLQXFVSA-N 2 1 315.461 2.403 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001278963067 1143866423 /nfs/dbraw/zinc/86/64/23/1143866423.db2.gz WHLYRHWQKWFQOT-JKSUJKDBSA-N 2 1 307.482 2.003 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C(C)(C)C ZINC001278972273 1143876187 /nfs/dbraw/zinc/87/61/87/1143876187.db2.gz BGFBMHCOSUYFBL-DLBZAZTESA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C(C)(C)C ZINC001278972273 1143876189 /nfs/dbraw/zinc/87/61/89/1143876189.db2.gz BGFBMHCOSUYFBL-DLBZAZTESA-N 2 1 319.493 2.171 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263820677 1144400609 /nfs/dbraw/zinc/40/06/09/1144400609.db2.gz DWFLZTPNSIATFH-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264682129 1144592481 /nfs/dbraw/zinc/59/24/81/1144592481.db2.gz QNWUVMIFKGNHTM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264751833 1144606623 /nfs/dbraw/zinc/60/66/23/1144606623.db2.gz POJVWLCHQKMHHO-SJORKVTESA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265114713 1144648263 /nfs/dbraw/zinc/64/82/63/1144648263.db2.gz LTTATLPHUADGCI-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265286069 1144683529 /nfs/dbraw/zinc/68/35/29/1144683529.db2.gz MYVKDAGKDVSFTD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265286069 1144683539 /nfs/dbraw/zinc/68/35/39/1144683539.db2.gz MYVKDAGKDVSFTD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265286069 1144683547 /nfs/dbraw/zinc/68/35/47/1144683547.db2.gz MYVKDAGKDVSFTD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265399170 1144702354 /nfs/dbraw/zinc/70/23/54/1144702354.db2.gz QHVBBTXABODRMQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265399170 1144702356 /nfs/dbraw/zinc/70/23/56/1144702356.db2.gz QHVBBTXABODRMQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265399170 1144702357 /nfs/dbraw/zinc/70/23/57/1144702357.db2.gz QHVBBTXABODRMQ-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001265880503 1144750417 /nfs/dbraw/zinc/75/04/17/1144750417.db2.gz KOPMNFDZGYQQKP-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001265880503 1144750419 /nfs/dbraw/zinc/75/04/19/1144750419.db2.gz KOPMNFDZGYQQKP-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001265880503 1144750421 /nfs/dbraw/zinc/75/04/21/1144750421.db2.gz KOPMNFDZGYQQKP-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116927 1144807297 /nfs/dbraw/zinc/80/72/97/1144807297.db2.gz OXABMKFHFMSOBZ-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001316602721 1144835342 /nfs/dbraw/zinc/83/53/42/1144835342.db2.gz NLZKTSNYGIHWTN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001316602721 1144835344 /nfs/dbraw/zinc/83/53/44/1144835344.db2.gz NLZKTSNYGIHWTN-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001282558123 1145086739 /nfs/dbraw/zinc/08/67/39/1145086739.db2.gz MQQNTBQTGCGXHC-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001491900097 1146966526 /nfs/dbraw/zinc/96/65/26/1146966526.db2.gz ZMYQEEABNCXFNA-SFHVURJKSA-N 2 1 315.461 2.105 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492164980 1147109569 /nfs/dbraw/zinc/10/95/69/1147109569.db2.gz KNTFLJDXYSPPFZ-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001317205025 1147275280 /nfs/dbraw/zinc/27/52/80/1147275280.db2.gz OTKLNPDYFPJMNU-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001366460804 1147294557 /nfs/dbraw/zinc/29/45/57/1147294557.db2.gz MSKRZOHCQLVIRX-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317042789 1147580997 /nfs/dbraw/zinc/58/09/97/1147580997.db2.gz GQVHRVLKVOHGIC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317042789 1147581004 /nfs/dbraw/zinc/58/10/04/1147581004.db2.gz GQVHRVLKVOHGIC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317045502 1147652410 /nfs/dbraw/zinc/65/24/10/1147652410.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317045502 1147652411 /nfs/dbraw/zinc/65/24/11/1147652411.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317045502 1147652412 /nfs/dbraw/zinc/65/24/12/1147652412.db2.gz QXWGCWLTBLULRD-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317067873 1147655621 /nfs/dbraw/zinc/65/56/21/1147655621.db2.gz HQGPKQHYZFCMQI-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317139873 1147665576 /nfs/dbraw/zinc/66/55/76/1147665576.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317139873 1147665577 /nfs/dbraw/zinc/66/55/77/1147665577.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317139873 1147665578 /nfs/dbraw/zinc/66/55/78/1147665578.db2.gz LQPKWOVYJDZOSW-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367227016 1147666277 /nfs/dbraw/zinc/66/62/77/1147666277.db2.gz FTDXBOQEKWDQJU-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317171435 1147670395 /nfs/dbraw/zinc/67/03/95/1147670395.db2.gz AVHNEQTYBRWIFP-JKSUJKDBSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206976 1147676842 /nfs/dbraw/zinc/67/68/42/1147676842.db2.gz HTAGOVRDCGDNIU-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317305406 1147688410 /nfs/dbraw/zinc/68/84/10/1147688410.db2.gz LMAQTKNJVXFEPD-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317313111 1147689560 /nfs/dbraw/zinc/68/95/60/1147689560.db2.gz NPSJKUBPFFUAPT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317427098 1147705791 /nfs/dbraw/zinc/70/57/91/1147705791.db2.gz LZDKKEWOUADLCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317427098 1147705793 /nfs/dbraw/zinc/70/57/93/1147705793.db2.gz LZDKKEWOUADLCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317427098 1147705794 /nfs/dbraw/zinc/70/57/94/1147705794.db2.gz LZDKKEWOUADLCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317534309 1147721866 /nfs/dbraw/zinc/72/18/66/1147721866.db2.gz ARVCCRJOMDZVJN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317534309 1147721867 /nfs/dbraw/zinc/72/18/67/1147721867.db2.gz ARVCCRJOMDZVJN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317534309 1147721868 /nfs/dbraw/zinc/72/18/68/1147721868.db2.gz ARVCCRJOMDZVJN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC001317723399 1147747326 /nfs/dbraw/zinc/74/73/26/1147747326.db2.gz GNHOHVSAXHGBFG-WMZOPIPTSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317862092 1147758660 /nfs/dbraw/zinc/75/86/60/1147758660.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862092 1147758662 /nfs/dbraw/zinc/75/86/62/1147758662.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862092 1147758663 /nfs/dbraw/zinc/75/86/63/1147758663.db2.gz GMCLROWOVRZVQC-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317862096 1147759054 /nfs/dbraw/zinc/75/90/54/1147759054.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317862096 1147759056 /nfs/dbraw/zinc/75/90/56/1147759056.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317862096 1147759058 /nfs/dbraw/zinc/75/90/58/1147759058.db2.gz GMCLROWOVRZVQC-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001318129367 1147779357 /nfs/dbraw/zinc/77/93/57/1147779357.db2.gz OJKJMZKCDCVOMF-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897218 1148015678 /nfs/dbraw/zinc/01/56/78/1148015678.db2.gz JQUIZCJRHYMEGV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001326436554 1148100077 /nfs/dbraw/zinc/10/00/77/1148100077.db2.gz DTIAYAHWBOEQKB-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001326436554 1148100089 /nfs/dbraw/zinc/10/00/89/1148100089.db2.gz DTIAYAHWBOEQKB-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264068329 529803183 /nfs/dbraw/zinc/80/31/83/529803183.db2.gz CEEWSRMYLWZQQJ-SNVBAGLBSA-N 2 1 316.327 2.264 20 30 DEEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083031532 355462189 /nfs/dbraw/zinc/46/21/89/355462189.db2.gz WLGCZQLPLVSEIW-HNNXBMFYSA-N 2 1 313.405 2.010 20 30 DEEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000083033527 355462257 /nfs/dbraw/zinc/46/22/57/355462257.db2.gz YWGADFHHKXBXFE-GOEBONIOSA-N 2 1 316.449 2.146 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C#N)cc1 ZINC000595388249 358437340 /nfs/dbraw/zinc/43/73/40/358437340.db2.gz DLDIUDQMTCHEKL-QYZOEREBSA-N 2 1 313.445 2.284 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nn1 ZINC000668169280 540606216 /nfs/dbraw/zinc/60/62/16/540606216.db2.gz MLUOLNYNEQRCBC-INIZCTEOSA-N 2 1 303.454 2.018 20 30 DEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602770549 360544234 /nfs/dbraw/zinc/54/42/34/360544234.db2.gz UBXSXYWZKSJEOE-IAGOWNOFSA-N 2 1 304.482 2.171 20 30 DEEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000271908214 209314992 /nfs/dbraw/zinc/31/49/92/209314992.db2.gz XFWZYIVHFSQCRH-CRAIPNDOSA-N 2 1 301.434 2.446 20 30 DEEDMP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422973493 533542066 /nfs/dbraw/zinc/54/20/66/533542066.db2.gz BYOOIJRFPAANGL-UKPHBRMFSA-N 2 1 316.424 2.396 20 30 DEEDMP N#Cc1ccc(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362867463 133256044 /nfs/dbraw/zinc/25/60/44/133256044.db2.gz YGRNEHFKCKVFLS-AWEZNQCLSA-N 2 1 309.373 2.099 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000129309332 401802349 /nfs/dbraw/zinc/80/23/49/401802349.db2.gz SYVXRMZOOOOAKP-GWCFXTLKSA-N 2 1 321.494 2.050 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130471431 401833022 /nfs/dbraw/zinc/83/30/22/401833022.db2.gz YGTQLWWVXRQIMV-HNNXBMFYSA-N 2 1 306.454 2.327 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130471431 401833026 /nfs/dbraw/zinc/83/30/26/401833026.db2.gz YGTQLWWVXRQIMV-HNNXBMFYSA-N 2 1 306.454 2.327 20 30 DEEDMP C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000152383149 402093913 /nfs/dbraw/zinc/09/39/13/402093913.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP C[NH+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000152383149 402093916 /nfs/dbraw/zinc/09/39/16/402093916.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP C[NH+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383149 402093920 /nfs/dbraw/zinc/09/39/20/402093920.db2.gz DBPDAAUMCRSEBI-CYBMUJFWSA-N 2 1 320.462 2.222 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000126295259 402273610 /nfs/dbraw/zinc/27/36/10/402273610.db2.gz SEXMBTFGDZDKEO-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178521030 402507571 /nfs/dbraw/zinc/50/75/71/402507571.db2.gz JBTGPBVHTKRTDS-INIZCTEOSA-N 2 1 316.445 2.196 20 30 DEEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccn1 ZINC000170913517 402541167 /nfs/dbraw/zinc/54/11/67/402541167.db2.gz RSTBGBGWGAAVKE-UHFFFAOYSA-N 2 1 309.417 2.257 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)N1 ZINC000262660340 402729418 /nfs/dbraw/zinc/72/94/18/402729418.db2.gz MUQZTGIBWYWWQC-GJZGRUSLSA-N 2 1 300.450 2.498 20 30 DEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268726685 403110333 /nfs/dbraw/zinc/11/03/33/403110333.db2.gz WRYIJKNJKAWPFX-GOSISDBHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268726685 403110334 /nfs/dbraw/zinc/11/03/34/403110334.db2.gz WRYIJKNJKAWPFX-GOSISDBHSA-N 2 1 301.434 2.396 20 30 DEEDMP CC(C)C(N)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283616062 403210178 /nfs/dbraw/zinc/21/01/78/403210178.db2.gz VPRMKTPSERFMRF-INIZCTEOSA-N 2 1 305.422 2.222 20 30 DEEDMP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277660147 403242347 /nfs/dbraw/zinc/24/23/47/403242347.db2.gz FJZNUOKPRVSGQX-KRWDZBQOSA-N 2 1 316.445 2.289 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346847615 403605652 /nfs/dbraw/zinc/60/56/52/403605652.db2.gz DJDRWVYJVZQQFJ-XHSDSOJGSA-N 2 1 302.418 2.429 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370010196 404303302 /nfs/dbraw/zinc/30/33/02/404303302.db2.gz SDAUQQUACORDFO-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000360956504 404862132 /nfs/dbraw/zinc/86/21/32/404862132.db2.gz LZOJMTVMISDGLT-ULQDDVLXSA-N 2 1 322.497 2.237 20 30 DEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000354098770 405044192 /nfs/dbraw/zinc/04/41/92/405044192.db2.gz ZSDUUTGBCPHZGV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000565769924 406083326 /nfs/dbraw/zinc/08/33/26/406083326.db2.gz YHDGTHJCEVUBHY-UHFFFAOYSA-N 2 1 305.397 2.394 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682287 406204615 /nfs/dbraw/zinc/20/46/15/406204615.db2.gz RMUSFQSRAHOJDX-UHFFFAOYSA-N 2 1 316.449 2.018 20 30 DEEDMP C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762543 425640037 /nfs/dbraw/zinc/64/00/37/425640037.db2.gz ICFAJSDVTVYMRW-HOTGVXAUSA-N 2 1 310.486 2.009 20 30 DEEDMP C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762543 425640040 /nfs/dbraw/zinc/64/00/40/425640040.db2.gz ICFAJSDVTVYMRW-HOTGVXAUSA-N 2 1 310.486 2.009 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000662695973 425716315 /nfs/dbraw/zinc/71/63/15/425716315.db2.gz RSJINNMWRNHOKJ-KYHPRHEASA-N 2 1 307.482 2.167 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N1CCCC1 ZINC000262150092 277752615 /nfs/dbraw/zinc/75/26/15/277752615.db2.gz RAXSXMCTYMHNSO-OAHLLOKOSA-N 2 1 304.438 2.396 20 30 DEEDMP CC#CCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000362299352 333046699 /nfs/dbraw/zinc/04/66/99/333046699.db2.gz HDUYRKGILQDCNB-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001330297928 1149088222 /nfs/dbraw/zinc/08/82/22/1149088222.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001330297928 1149088231 /nfs/dbraw/zinc/08/82/31/1149088231.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001330297928 1149088237 /nfs/dbraw/zinc/08/82/37/1149088237.db2.gz RJZWNHAECIBDCZ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP CNC(NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)=[NH+]C ZINC000262040685 526344545 /nfs/dbraw/zinc/34/45/45/526344545.db2.gz RWONCXRVOWGJTH-RISCZKNCSA-N 2 1 312.820 2.267 20 30 DEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262800091 526381951 /nfs/dbraw/zinc/38/19/51/526381951.db2.gz OXIVASCYCRBBEO-SNVBAGLBSA-N 2 1 312.870 2.303 20 30 DEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262800091 526381954 /nfs/dbraw/zinc/38/19/54/526381954.db2.gz OXIVASCYCRBBEO-SNVBAGLBSA-N 2 1 312.870 2.303 20 30 DEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000422838613 527651342 /nfs/dbraw/zinc/65/13/42/527651342.db2.gz XTICXQKQKKIBNF-XMTFNYHQSA-N 2 1 309.498 2.027 20 30 DEEDMP CCN(CC)C(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264069042 527982708 /nfs/dbraw/zinc/98/27/08/527982708.db2.gz COLLJRHPAQSTAN-UHFFFAOYSA-N 2 1 303.385 2.476 20 30 DEEDMP CCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264141404 528162108 /nfs/dbraw/zinc/16/21/08/528162108.db2.gz WOXJGQKIESCKRU-MRXNPFEDSA-N 2 1 304.438 2.146 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001368812435 1148682547 /nfs/dbraw/zinc/68/25/47/1148682547.db2.gz XVQCAGATZLQHTD-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294574 625328750 /nfs/dbraw/zinc/32/87/50/625328750.db2.gz KXLPSJPZLPOLIU-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294574 625328753 /nfs/dbraw/zinc/32/87/53/625328753.db2.gz KXLPSJPZLPOLIU-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947684973 625439538 /nfs/dbraw/zinc/43/95/38/625439538.db2.gz KNWYJWONILLIJM-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947311116 625447005 /nfs/dbraw/zinc/44/70/05/625447005.db2.gz YGFKSEPNIGYPNI-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470506 625465339 /nfs/dbraw/zinc/46/53/39/625465339.db2.gz YKINQCMEEIICOZ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547330 625513040 /nfs/dbraw/zinc/51/30/40/625513040.db2.gz KAMCRKAFIDXBJT-KLAILNCOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970328340 623403982 /nfs/dbraw/zinc/40/39/82/623403982.db2.gz JGWVMOMZQPAGHM-XHSDSOJGSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971667010 624497892 /nfs/dbraw/zinc/49/78/92/624497892.db2.gz HCPULRAXLIBGLO-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667010 624497893 /nfs/dbraw/zinc/49/78/93/624497893.db2.gz HCPULRAXLIBGLO-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667010 624497894 /nfs/dbraw/zinc/49/78/94/624497894.db2.gz HCPULRAXLIBGLO-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551481 625232335 /nfs/dbraw/zinc/23/23/35/625232335.db2.gz LBMNIVIYTRLIHV-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023396822 625252769 /nfs/dbraw/zinc/25/27/69/625252769.db2.gz WLJWYAFOMFQSCV-CQSZACIVSA-N 2 1 321.490 2.438 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411839 625259061 /nfs/dbraw/zinc/25/90/61/625259061.db2.gz JUGDZHQCNDALSV-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411839 625259063 /nfs/dbraw/zinc/25/90/63/625259063.db2.gz JUGDZHQCNDALSV-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023412334 625259363 /nfs/dbraw/zinc/25/93/63/625259363.db2.gz PLPMFYVMPXRCTH-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023412334 625259369 /nfs/dbraw/zinc/25/93/69/625259369.db2.gz PLPMFYVMPXRCTH-JKSUJKDBSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455923 625278143 /nfs/dbraw/zinc/27/81/43/625278143.db2.gz UGHSWEDUIWCLEW-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455923 625278144 /nfs/dbraw/zinc/27/81/44/625278144.db2.gz UGHSWEDUIWCLEW-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455923 625278146 /nfs/dbraw/zinc/27/81/46/625278146.db2.gz UGHSWEDUIWCLEW-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442645 625778058 /nfs/dbraw/zinc/77/80/58/625778058.db2.gz UHAWCXXAHGVDFD-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024523379 625838259 /nfs/dbraw/zinc/83/82/59/625838259.db2.gz PVLDNGCUQHQYJP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523379 625838265 /nfs/dbraw/zinc/83/82/65/625838265.db2.gz PVLDNGCUQHQYJP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523379 625838269 /nfs/dbraw/zinc/83/82/69/625838269.db2.gz PVLDNGCUQHQYJP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000999972529 634711978 /nfs/dbraw/zinc/71/19/78/634711978.db2.gz GHLJGOQWKBCBIL-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995906625 633133652 /nfs/dbraw/zinc/13/36/52/633133652.db2.gz SAKQGFXCEURTIX-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995983851 633153680 /nfs/dbraw/zinc/15/36/80/633153680.db2.gz SERATEORDRIZJI-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578868 633156156 /nfs/dbraw/zinc/15/61/56/633156156.db2.gz QFMITFHZMGOACM-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974578868 633156168 /nfs/dbraw/zinc/15/61/68/633156168.db2.gz QFMITFHZMGOACM-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686908 633235959 /nfs/dbraw/zinc/23/59/59/633235959.db2.gz ZBTPJQAAMAQXMC-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008738501 633352675 /nfs/dbraw/zinc/35/26/75/633352675.db2.gz OJNKFIGONQRYDL-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008738501 633352681 /nfs/dbraw/zinc/35/26/81/633352681.db2.gz OJNKFIGONQRYDL-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045642 633396941 /nfs/dbraw/zinc/39/69/41/633396941.db2.gz BNQGYHFZURQXMY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045642 633396948 /nfs/dbraw/zinc/39/69/48/633396948.db2.gz BNQGYHFZURQXMY-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975114860 633429239 /nfs/dbraw/zinc/42/92/39/633429239.db2.gz XHWVNTSJXWYBAR-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975114860 633429243 /nfs/dbraw/zinc/42/92/43/633429243.db2.gz XHWVNTSJXWYBAR-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444018 633794833 /nfs/dbraw/zinc/79/48/33/633794833.db2.gz POQYJAQQKNCXSZ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444018 633794839 /nfs/dbraw/zinc/79/48/39/633794839.db2.gz POQYJAQQKNCXSZ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027477225 633858457 /nfs/dbraw/zinc/85/84/57/633858457.db2.gz CTZDVKUDUUQGMI-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC)CC1 ZINC000997624595 633903156 /nfs/dbraw/zinc/90/31/56/633903156.db2.gz VNDDDQLZHTYZTP-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCC)CC1 ZINC000997624595 633903162 /nfs/dbraw/zinc/90/31/62/633903162.db2.gz VNDDDQLZHTYZTP-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000836824067 650133378 /nfs/dbraw/zinc/13/33/78/650133378.db2.gz SBTTYUHAXMYVBF-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997865792 634014589 /nfs/dbraw/zinc/01/45/89/634014589.db2.gz HYLGEGWOAKWMNU-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546517 634073719 /nfs/dbraw/zinc/07/37/19/634073719.db2.gz PXOUTWNQSWDQOI-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000980475433 635015207 /nfs/dbraw/zinc/01/52/07/635015207.db2.gz FYSQOKKGJOLHLM-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985573 635169058 /nfs/dbraw/zinc/16/90/58/635169058.db2.gz LEOVVMFMFJPQAB-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985573 635169061 /nfs/dbraw/zinc/16/90/61/635169061.db2.gz LEOVVMFMFJPQAB-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903085 635335856 /nfs/dbraw/zinc/33/58/56/635335856.db2.gz IICUHGSYJQISEC-UHFFFAOYSA-N 2 1 317.477 2.329 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001229143 635431241 /nfs/dbraw/zinc/43/12/41/635431241.db2.gz HHYSJJUNWCASOZ-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001229143 635431244 /nfs/dbraw/zinc/43/12/44/635431244.db2.gz HHYSJJUNWCASOZ-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001229143 635431247 /nfs/dbraw/zinc/43/12/47/635431247.db2.gz HHYSJJUNWCASOZ-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001028130826 635677154 /nfs/dbraw/zinc/67/71/54/635677154.db2.gz WOWYTJCTRYKTCZ-GJZGRUSLSA-N 2 1 316.449 2.376 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052483 635845107 /nfs/dbraw/zinc/84/51/07/635845107.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052483 635845110 /nfs/dbraw/zinc/84/51/10/635845110.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052483 635845113 /nfs/dbraw/zinc/84/51/13/635845113.db2.gz MDJOHDWGJJSMFT-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099716 635866545 /nfs/dbraw/zinc/86/65/45/635866545.db2.gz HPQAJIVCAADXJB-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004454022 636451040 /nfs/dbraw/zinc/45/10/40/636451040.db2.gz ZHPAECRBMHMXBJ-NXHRZFHOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004454022 636451045 /nfs/dbraw/zinc/45/10/45/636451045.db2.gz ZHPAECRBMHMXBJ-NXHRZFHOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004454022 636451046 /nfs/dbraw/zinc/45/10/46/636451046.db2.gz ZHPAECRBMHMXBJ-NXHRZFHOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765362 636622193 /nfs/dbraw/zinc/62/21/93/636622193.db2.gz MVQCPDOZIJNVKX-FGTMMUONSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755817 636703645 /nfs/dbraw/zinc/70/36/45/636703645.db2.gz VMSOTOFRLVUUDG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755817 636703649 /nfs/dbraw/zinc/70/36/49/636703649.db2.gz VMSOTOFRLVUUDG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755817 636703653 /nfs/dbraw/zinc/70/36/53/636703653.db2.gz VMSOTOFRLVUUDG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP CN(Cc1csc(C#N)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000894459711 637053249 /nfs/dbraw/zinc/05/32/49/637053249.db2.gz MCLZEJGPTSFWHD-INIZCTEOSA-N 2 1 318.490 2.220 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001005999427 637064532 /nfs/dbraw/zinc/06/45/32/637064532.db2.gz XPQVGDMYSYOMMV-RDJZCZTQSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334069 637121479 /nfs/dbraw/zinc/12/14/79/637121479.db2.gz AOMCTMQHGLFVQH-MSOLQXFVSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000923334069 637121483 /nfs/dbraw/zinc/12/14/83/637121483.db2.gz AOMCTMQHGLFVQH-MSOLQXFVSA-N 2 1 303.450 2.353 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892465 637126348 /nfs/dbraw/zinc/12/63/48/637126348.db2.gz CLDPDZFAAQIQEX-FGTMMUONSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892465 637126355 /nfs/dbraw/zinc/12/63/55/637126355.db2.gz CLDPDZFAAQIQEX-FGTMMUONSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892465 637126360 /nfs/dbraw/zinc/12/63/60/637126360.db2.gz CLDPDZFAAQIQEX-FGTMMUONSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902393 637180385 /nfs/dbraw/zinc/18/03/85/637180385.db2.gz NTFATMCNJJLDEX-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923497344 637213652 /nfs/dbraw/zinc/21/36/52/637213652.db2.gz DRNYAVFNNZEIRO-BBRMVZONSA-N 2 1 303.450 2.390 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863284 637271657 /nfs/dbraw/zinc/27/16/57/637271657.db2.gz WFPSVSVQSDZQBU-OAHLLOKOSA-N 2 1 304.434 2.267 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863284 637271660 /nfs/dbraw/zinc/27/16/60/637271660.db2.gz WFPSVSVQSDZQBU-OAHLLOKOSA-N 2 1 304.434 2.267 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000738877072 637532879 /nfs/dbraw/zinc/53/28/79/637532879.db2.gz OVEURWOYWYFTCR-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC000740737786 637900596 /nfs/dbraw/zinc/90/05/96/637900596.db2.gz WWVDKUJIHIHCGP-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000985676219 639576623 /nfs/dbraw/zinc/57/66/23/639576623.db2.gz ATGNJEHSRLYDAB-UHFFFAOYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000985676219 639576626 /nfs/dbraw/zinc/57/66/26/639576626.db2.gz ATGNJEHSRLYDAB-UHFFFAOYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000900428946 642367995 /nfs/dbraw/zinc/36/79/95/642367995.db2.gz LNQPXIIYTDJIOW-BBWFWOEESA-N 2 1 307.482 2.358 20 30 DEEDMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988826 643541061 /nfs/dbraw/zinc/54/10/61/643541061.db2.gz XYNQMFUSZCMNDQ-INMHGKMJSA-N 2 1 313.449 2.218 20 30 DEEDMP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000904343783 643641385 /nfs/dbraw/zinc/64/13/85/643641385.db2.gz WWUYMPJBXYCOMX-KSZLIROESA-N 2 1 316.445 2.386 20 30 DEEDMP C=CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000904343783 643641388 /nfs/dbraw/zinc/64/13/88/643641388.db2.gz WWUYMPJBXYCOMX-KSZLIROESA-N 2 1 316.445 2.386 20 30 DEEDMP C=CCc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000904421263 643669633 /nfs/dbraw/zinc/66/96/33/643669633.db2.gz VXUIQKCCLBCKSL-JKSUJKDBSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000904421263 643669636 /nfs/dbraw/zinc/66/96/36/643669636.db2.gz VXUIQKCCLBCKSL-JKSUJKDBSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991071541 644002784 /nfs/dbraw/zinc/00/27/84/644002784.db2.gz ZCBRXWWWTMUXCT-RLFYNMQTSA-N 2 1 314.433 2.060 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991071541 644002787 /nfs/dbraw/zinc/00/27/87/644002787.db2.gz ZCBRXWWWTMUXCT-RLFYNMQTSA-N 2 1 314.433 2.060 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992499106 647074714 /nfs/dbraw/zinc/07/47/14/647074714.db2.gz GVRXJBGSDTYJJA-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992499106 647074722 /nfs/dbraw/zinc/07/47/22/647074722.db2.gz GVRXJBGSDTYJJA-SJLPKXTDSA-N 2 1 316.449 2.271 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993528256 647690424 /nfs/dbraw/zinc/69/04/24/647690424.db2.gz KBKBXNMBSCBZGS-MAUKXSAKSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993546393 647693772 /nfs/dbraw/zinc/69/37/72/647693772.db2.gz KDVBWKBANBEOQI-YOEHRIQHSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000819678966 647707538 /nfs/dbraw/zinc/70/75/38/647707538.db2.gz USBXSMASMFIKRH-UHFFFAOYSA-N 2 1 322.478 2.356 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993903811 647760851 /nfs/dbraw/zinc/76/08/51/647760851.db2.gz MSQZPKJUNZVEOF-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993903811 647760853 /nfs/dbraw/zinc/76/08/53/647760853.db2.gz MSQZPKJUNZVEOF-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP CC[N@H+](C[C@H](O)CN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770541 648180802 /nfs/dbraw/zinc/18/08/02/648180802.db2.gz IEFFSTXPRGUDOA-CRAIPNDOSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000919770541 648180804 /nfs/dbraw/zinc/18/08/04/648180804.db2.gz IEFFSTXPRGUDOA-CRAIPNDOSA-N 2 1 301.434 2.398 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940801150 648945076 /nfs/dbraw/zinc/94/50/76/648945076.db2.gz ODZPSTYMPVJXGJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801150 648945077 /nfs/dbraw/zinc/94/50/77/648945077.db2.gz ODZPSTYMPVJXGJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940801150 648945079 /nfs/dbraw/zinc/94/50/79/648945079.db2.gz ODZPSTYMPVJXGJ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842948 648955281 /nfs/dbraw/zinc/95/52/81/648955281.db2.gz TUSKXVQCAWHMLT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842948 648955284 /nfs/dbraw/zinc/95/52/84/648955284.db2.gz TUSKXVQCAWHMLT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842948 648955288 /nfs/dbraw/zinc/95/52/88/648955288.db2.gz TUSKXVQCAWHMLT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026837 648988131 /nfs/dbraw/zinc/98/81/31/648988131.db2.gz OPJFPMUAHBLCSB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026837 648988134 /nfs/dbraw/zinc/98/81/34/648988134.db2.gz OPJFPMUAHBLCSB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026837 648988137 /nfs/dbraw/zinc/98/81/37/648988137.db2.gz OPJFPMUAHBLCSB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031568 648989665 /nfs/dbraw/zinc/98/96/65/648989665.db2.gz ASHRQTKEWBGJOZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031568 648989667 /nfs/dbraw/zinc/98/96/67/648989667.db2.gz ASHRQTKEWBGJOZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031568 648989668 /nfs/dbraw/zinc/98/96/68/648989668.db2.gz ASHRQTKEWBGJOZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122716 649005125 /nfs/dbraw/zinc/00/51/25/649005125.db2.gz BWBUYOCJTJJAAD-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237865 649028804 /nfs/dbraw/zinc/02/88/04/649028804.db2.gz RRGPXZBVWXJXRT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237865 649028805 /nfs/dbraw/zinc/02/88/05/649028805.db2.gz RRGPXZBVWXJXRT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237865 649028808 /nfs/dbraw/zinc/02/88/08/649028808.db2.gz RRGPXZBVWXJXRT-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173942 649174883 /nfs/dbraw/zinc/17/48/83/649174883.db2.gz SNSJYXRTVHIOCO-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943288939 649359426 /nfs/dbraw/zinc/35/94/26/649359426.db2.gz NYRXTCNXVSSUDD-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000848981075 651569033 /nfs/dbraw/zinc/56/90/33/651569033.db2.gz HKHHBAQOJOTXJY-INIZCTEOSA-N 2 1 302.422 2.132 20 30 DEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(Cl)c(C#N)s1 ZINC000853773345 652602332 /nfs/dbraw/zinc/60/23/32/652602332.db2.gz ANPSQQHICCPWLU-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(Cl)c(C#N)s1 ZINC000853773345 652602333 /nfs/dbraw/zinc/60/23/33/652602333.db2.gz ANPSQQHICCPWLU-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764930 1157396523 /nfs/dbraw/zinc/39/65/23/1157396523.db2.gz MZNYLMYZUDGPBT-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001393747902 1157946585 /nfs/dbraw/zinc/94/65/85/1157946585.db2.gz KGKBJAFSEVTULN-GXTWGEPZSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001393747909 1157947370 /nfs/dbraw/zinc/94/73/70/1157947370.db2.gz KGKBJAFSEVTULN-OCCSQVGLSA-N 2 1 315.889 2.153 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305193766 685282643 /nfs/dbraw/zinc/28/26/43/685282643.db2.gz VRIWOOCVZRRIAP-MRXNPFEDSA-N 2 1 313.449 2.099 20 30 DEEDMP CC[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000104167606 684058301 /nfs/dbraw/zinc/05/83/01/684058301.db2.gz NWFURWAYIWJFQW-KRWDZBQOSA-N 2 1 302.466 2.303 20 30 DEEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000126855232 684157944 /nfs/dbraw/zinc/15/79/44/684157944.db2.gz YGHPZTZCXFKYKG-CQSZACIVSA-N 2 1 324.538 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145865 693862048 /nfs/dbraw/zinc/86/20/48/693862048.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145865 693862051 /nfs/dbraw/zinc/86/20/51/693862051.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145865 693862053 /nfs/dbraw/zinc/86/20/53/693862053.db2.gz YZSFRZIVUYHLAM-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209691 693883456 /nfs/dbraw/zinc/88/34/56/693883456.db2.gz VTPGCYHTJYXGOK-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227128 693891828 /nfs/dbraw/zinc/89/18/28/693891828.db2.gz DTGDTKDKWYUESX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227128 693891834 /nfs/dbraw/zinc/89/18/34/693891834.db2.gz DTGDTKDKWYUESX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227128 693891841 /nfs/dbraw/zinc/89/18/41/693891841.db2.gz DTGDTKDKWYUESX-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791186 685235906 /nfs/dbraw/zinc/23/59/06/685235906.db2.gz XDFGNCLEFKXVLF-OAHLLOKOSA-N 2 1 310.486 2.114 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909307 685240440 /nfs/dbraw/zinc/24/04/40/685240440.db2.gz YCBJOHZHLWKVNX-IRXDYDNUSA-N 2 1 314.477 2.495 20 30 DEEDMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865436271 687210466 /nfs/dbraw/zinc/21/04/66/687210466.db2.gz ZCQFRUKUAFBULR-MRXNPFEDSA-N 2 1 300.450 2.444 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865436271 687210468 /nfs/dbraw/zinc/21/04/68/687210468.db2.gz ZCQFRUKUAFBULR-MRXNPFEDSA-N 2 1 300.450 2.444 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016794875 687704650 /nfs/dbraw/zinc/70/46/50/687704650.db2.gz ZSTYLEFDGYKUPP-ULQDDVLXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550224 687909996 /nfs/dbraw/zinc/90/99/96/687909996.db2.gz URAKLMPODFGNGM-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550224 687910000 /nfs/dbraw/zinc/91/00/00/687910000.db2.gz URAKLMPODFGNGM-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550224 687910008 /nfs/dbraw/zinc/91/00/08/687910008.db2.gz URAKLMPODFGNGM-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550224 687910013 /nfs/dbraw/zinc/91/00/13/687910013.db2.gz URAKLMPODFGNGM-XLAORIBOSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001017552701 687911370 /nfs/dbraw/zinc/91/13/70/687911370.db2.gz HHMFKPBXHMRQBQ-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001017552701 687911371 /nfs/dbraw/zinc/91/13/71/687911371.db2.gz HHMFKPBXHMRQBQ-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017552701 687911374 /nfs/dbraw/zinc/91/13/74/687911374.db2.gz HHMFKPBXHMRQBQ-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017552701 687911377 /nfs/dbraw/zinc/91/13/77/687911377.db2.gz HHMFKPBXHMRQBQ-IXDOHACOSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157758 688941016 /nfs/dbraw/zinc/94/10/16/688941016.db2.gz QUMDZWRPPYEUBC-NXHRZFHOSA-N 2 1 319.493 2.393 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078000 689379239 /nfs/dbraw/zinc/37/92/39/689379239.db2.gz VDWHDGNRNFXDNM-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294638 689452529 /nfs/dbraw/zinc/45/25/29/689452529.db2.gz CFBGFMPPIWIJQE-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298028 689452819 /nfs/dbraw/zinc/45/28/19/689452819.db2.gz YEVGHXVHDMBAFT-QGZVFWFLSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033507096 689524685 /nfs/dbraw/zinc/52/46/85/689524685.db2.gz BRWYHJQFYRHOAB-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548405 689537351 /nfs/dbraw/zinc/53/73/51/689537351.db2.gz QLVZBIIBSCTMER-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855207 689639098 /nfs/dbraw/zinc/63/90/98/689639098.db2.gz HVCTWQVXPVWUNQ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855207 689639102 /nfs/dbraw/zinc/63/91/02/689639102.db2.gz HVCTWQVXPVWUNQ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066687 694308573 /nfs/dbraw/zinc/30/85/73/694308573.db2.gz KWTPSVJOWJTUAM-GOSISDBHSA-N 2 1 313.445 2.206 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931066687 694308579 /nfs/dbraw/zinc/30/85/79/694308579.db2.gz KWTPSVJOWJTUAM-GOSISDBHSA-N 2 1 313.445 2.206 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210726 689764808 /nfs/dbraw/zinc/76/48/08/689764808.db2.gz JDRBZLMEOPVWNV-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241466 689777964 /nfs/dbraw/zinc/77/79/64/689777964.db2.gz XVZGZXVPZINEHI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034241466 689777959 /nfs/dbraw/zinc/77/79/59/689777959.db2.gz XVZGZXVPZINEHI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034241466 689777962 /nfs/dbraw/zinc/77/79/62/689777962.db2.gz XVZGZXVPZINEHI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281107 689793160 /nfs/dbraw/zinc/79/31/60/689793160.db2.gz CLFWCYJRWPXTIM-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310383 689805632 /nfs/dbraw/zinc/80/56/32/689805632.db2.gz XECAKWPPUNCURO-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479200 689866453 /nfs/dbraw/zinc/86/64/53/689866453.db2.gz UPTZFOZEGAVTPP-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000876735235 689920787 /nfs/dbraw/zinc/92/07/87/689920787.db2.gz BZLIZZYKCAYZQX-IMJJTQAJSA-N 2 1 321.852 2.408 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034663000 689922469 /nfs/dbraw/zinc/92/24/69/689922469.db2.gz NSAHXAZMKJRPCT-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035258092 690075649 /nfs/dbraw/zinc/07/56/49/690075649.db2.gz FYKOATMXCFLGCC-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035258092 690075652 /nfs/dbraw/zinc/07/56/52/690075652.db2.gz FYKOATMXCFLGCC-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035258092 690075655 /nfs/dbraw/zinc/07/56/55/690075655.db2.gz FYKOATMXCFLGCC-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779350 690174552 /nfs/dbraw/zinc/17/45/52/690174552.db2.gz OYEMZOZPFPWZOX-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795687 690177978 /nfs/dbraw/zinc/17/79/78/690177978.db2.gz XOKGKEYTBDJVOX-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036853989 690500143 /nfs/dbraw/zinc/50/01/43/690500143.db2.gz CHNBQLIHGPXXMF-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859456 690501594 /nfs/dbraw/zinc/50/15/94/690501594.db2.gz QBDKWHJPKYZSSJ-QZTJIDSGSA-N 2 1 319.493 2.216 20 30 DEEDMP COCC[N@@H+](Cc1cc(F)ccc1C#N)CC1CC[NH+](C)CC1 ZINC000879124814 690572754 /nfs/dbraw/zinc/57/27/54/690572754.db2.gz DZLZNPRFPPUFAX-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP COCC[N@H+](Cc1cc(F)ccc1C#N)CC1CC[NH+](C)CC1 ZINC000879124814 690572755 /nfs/dbraw/zinc/57/27/55/690572755.db2.gz DZLZNPRFPPUFAX-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP COCC[N@@H+](CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879127091 690573705 /nfs/dbraw/zinc/57/37/05/690573705.db2.gz QQNBTWSEZALJLH-UHFFFAOYSA-N 2 1 300.446 2.328 20 30 DEEDMP C=CCN1CC[C@H]([N@@H+](CC(C)C)CC2CC[NH+](C)CC2)C1=O ZINC000879703364 690711030 /nfs/dbraw/zinc/71/10/30/690711030.db2.gz JRBNMGFQTDORMY-KRWDZBQOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132856 691029748 /nfs/dbraw/zinc/02/97/48/691029748.db2.gz PRMANTSCKLOGDT-KBAYOESNSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132856 691029749 /nfs/dbraw/zinc/02/97/49/691029749.db2.gz PRMANTSCKLOGDT-KBAYOESNSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132856 691029751 /nfs/dbraw/zinc/02/97/51/691029751.db2.gz PRMANTSCKLOGDT-KBAYOESNSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039158190 691035019 /nfs/dbraw/zinc/03/50/19/691035019.db2.gz NLVKRDLFMDQQTB-SFHVURJKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039174422 691040070 /nfs/dbraw/zinc/04/00/70/691040070.db2.gz VKVZXVHJTXXJQU-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174422 691040071 /nfs/dbraw/zinc/04/00/71/691040071.db2.gz VKVZXVHJTXXJQU-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039174422 691040073 /nfs/dbraw/zinc/04/00/73/691040073.db2.gz VKVZXVHJTXXJQU-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224708 691060512 /nfs/dbraw/zinc/06/05/12/691060512.db2.gz IPSZMDOUKPUTCH-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708045 691281401 /nfs/dbraw/zinc/28/14/01/691281401.db2.gz OKHKKAKEXZDSOO-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446304 691376801 /nfs/dbraw/zinc/37/68/01/691376801.db2.gz SECXZTPJNMRKDW-SFHVURJKSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845723 691444594 /nfs/dbraw/zinc/44/45/94/691444594.db2.gz OSICJIRNLLDNEF-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000883186265 691452275 /nfs/dbraw/zinc/45/22/75/691452275.db2.gz OJHKFOCOQUUIEZ-MSOLQXFVSA-N 2 1 309.498 2.117 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186615 691532269 /nfs/dbraw/zinc/53/22/69/691532269.db2.gz IPQCRJUECCLWAJ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233035 691542405 /nfs/dbraw/zinc/54/24/05/691542405.db2.gz BXMUSFJHTDJCRD-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233035 691542409 /nfs/dbraw/zinc/54/24/09/691542409.db2.gz BXMUSFJHTDJCRD-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233035 691542413 /nfs/dbraw/zinc/54/24/13/691542413.db2.gz BXMUSFJHTDJCRD-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027092 691986711 /nfs/dbraw/zinc/98/67/11/691986711.db2.gz CBVLCTSWUAOURW-IAGOWNOFSA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027092 691986713 /nfs/dbraw/zinc/98/67/13/691986713.db2.gz CBVLCTSWUAOURW-IAGOWNOFSA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027092 691986716 /nfs/dbraw/zinc/98/67/16/691986716.db2.gz CBVLCTSWUAOURW-IAGOWNOFSA-N 2 1 305.466 2.095 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921228 692052279 /nfs/dbraw/zinc/05/22/79/692052279.db2.gz IEXQIARUIYAKFY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921228 692052282 /nfs/dbraw/zinc/05/22/82/692052282.db2.gz IEXQIARUIYAKFY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921228 692052284 /nfs/dbraw/zinc/05/22/84/692052284.db2.gz IEXQIARUIYAKFY-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316756 692054164 /nfs/dbraw/zinc/05/41/64/692054164.db2.gz LWUBRPAXGQGWCN-NVXWUHKLSA-N 2 1 314.433 2.037 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943341 692058749 /nfs/dbraw/zinc/05/87/49/692058749.db2.gz IICYRHAQIWMJRI-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943341 692058750 /nfs/dbraw/zinc/05/87/50/692058750.db2.gz IICYRHAQIWMJRI-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943341 692058752 /nfs/dbraw/zinc/05/87/52/692058752.db2.gz IICYRHAQIWMJRI-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951936 692060944 /nfs/dbraw/zinc/06/09/44/692060944.db2.gz KPNXZPBSRSEYSN-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951936 692060947 /nfs/dbraw/zinc/06/09/47/692060947.db2.gz KPNXZPBSRSEYSN-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966921 692064379 /nfs/dbraw/zinc/06/43/79/692064379.db2.gz JPLWJWJRAIPCDA-HKUYNNGSSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046563014 692225209 /nfs/dbraw/zinc/22/52/09/692225209.db2.gz ZHYYIRRUYZAKKI-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046563014 692225211 /nfs/dbraw/zinc/22/52/11/692225211.db2.gz ZHYYIRRUYZAKKI-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046563014 692225216 /nfs/dbraw/zinc/22/52/16/692225216.db2.gz ZHYYIRRUYZAKKI-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263833 692404616 /nfs/dbraw/zinc/40/46/16/692404616.db2.gz DEXCLEOTFMSEIR-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049096967 692762999 /nfs/dbraw/zinc/76/29/99/692762999.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096967 692763002 /nfs/dbraw/zinc/76/30/02/692763002.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096967 692763006 /nfs/dbraw/zinc/76/30/06/692763006.db2.gz FKPOWBJEPHHVTQ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523826 692910946 /nfs/dbraw/zinc/91/09/46/692910946.db2.gz HVDKFGROMFLHKT-ARFHVFGLSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049523826 692910947 /nfs/dbraw/zinc/91/09/47/692910947.db2.gz HVDKFGROMFLHKT-ARFHVFGLSA-N 2 1 314.433 2.012 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572576 692926463 /nfs/dbraw/zinc/92/64/63/692926463.db2.gz MFWGUEQOENTORA-ZWKOTPCHSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049656038 692956117 /nfs/dbraw/zinc/95/61/17/692956117.db2.gz UFPZATAGAPWOJI-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656038 692956118 /nfs/dbraw/zinc/95/61/18/692956118.db2.gz UFPZATAGAPWOJI-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656038 692956119 /nfs/dbraw/zinc/95/61/19/692956119.db2.gz UFPZATAGAPWOJI-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702214 692968663 /nfs/dbraw/zinc/96/86/63/692968663.db2.gz FXRWSOSMHHCCAJ-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114081 /nfs/dbraw/zinc/11/40/81/693114081.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114084 /nfs/dbraw/zinc/11/40/84/693114084.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050122324 693114087 /nfs/dbraw/zinc/11/40/87/693114087.db2.gz QVDXVDBFCSUZCN-RCCFBDPRSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175291 693129903 /nfs/dbraw/zinc/12/99/03/693129903.db2.gz OLXFORUKZNHHRU-ZWKOTPCHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524453 693200515 /nfs/dbraw/zinc/20/05/15/693200515.db2.gz FRRHGETWPYKNJZ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050564629 693207538 /nfs/dbraw/zinc/20/75/38/693207538.db2.gz SOIIVUALTAYDMK-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394198 693522701 /nfs/dbraw/zinc/52/27/01/693522701.db2.gz BAWUKHKFKJHVPU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394198 693522704 /nfs/dbraw/zinc/52/27/04/693522704.db2.gz BAWUKHKFKJHVPU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394198 693522708 /nfs/dbraw/zinc/52/27/08/693522708.db2.gz BAWUKHKFKJHVPU-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515292 693554327 /nfs/dbraw/zinc/55/43/27/693554327.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515292 693554332 /nfs/dbraw/zinc/55/43/32/693554332.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515292 693554336 /nfs/dbraw/zinc/55/43/36/693554336.db2.gz CRGPGAFDAOLIPQ-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765434 693615591 /nfs/dbraw/zinc/61/55/91/693615591.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765434 693615593 /nfs/dbraw/zinc/61/55/93/693615593.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765434 693615595 /nfs/dbraw/zinc/61/55/95/693615595.db2.gz ZKBHPALONZORGS-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765436 693615687 /nfs/dbraw/zinc/61/56/87/693615687.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765436 693615692 /nfs/dbraw/zinc/61/56/92/693615692.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765436 693615696 /nfs/dbraw/zinc/61/56/96/693615696.db2.gz ZKBHPALONZORGS-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052871980 693637352 /nfs/dbraw/zinc/63/73/52/693637352.db2.gz SWIHYEFRUOWAHE-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001380931050 1152879699 /nfs/dbraw/zinc/87/96/99/1152879699.db2.gz KPYNHTUSFRLLIH-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001381132635 1152920863 /nfs/dbraw/zinc/92/08/63/1152920863.db2.gz WGPFPLCABGYGQJ-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC001363291156 1153317006 /nfs/dbraw/zinc/31/70/06/1153317006.db2.gz XPMHVOUKKLBGCW-HNAYVOBHSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376294026 1159320585 /nfs/dbraw/zinc/32/05/85/1159320585.db2.gz XJELZLIHDYBMDP-HNNXBMFYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001408129339 1165490321 /nfs/dbraw/zinc/49/03/21/1165490321.db2.gz QZVLPKXNTPGEFZ-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001408129339 1165490323 /nfs/dbraw/zinc/49/03/23/1165490323.db2.gz QZVLPKXNTPGEFZ-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001408129339 1165490328 /nfs/dbraw/zinc/49/03/28/1165490328.db2.gz QZVLPKXNTPGEFZ-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001408129339 1165490332 /nfs/dbraw/zinc/49/03/32/1165490332.db2.gz QZVLPKXNTPGEFZ-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001420025472 1169075640 /nfs/dbraw/zinc/07/56/40/1169075640.db2.gz RPTDYIATDKYYNW-LSDHHAIUSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001420949029 1171374884 /nfs/dbraw/zinc/37/48/84/1171374884.db2.gz HZCWPSCDYKMOBO-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001423017120 1173018670 /nfs/dbraw/zinc/01/86/70/1173018670.db2.gz WOJPSFOYJRZNRO-CABCVRRESA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423708997 1173505730 /nfs/dbraw/zinc/50/57/30/1173505730.db2.gz XUNWAVRNAXTIFQ-INIZCTEOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001423708997 1173505735 /nfs/dbraw/zinc/50/57/35/1173505735.db2.gz XUNWAVRNAXTIFQ-INIZCTEOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001438299383 1180329559 /nfs/dbraw/zinc/32/95/59/1180329559.db2.gz JRTAKSVWQYREQX-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001440493813 1181559153 /nfs/dbraw/zinc/55/91/53/1181559153.db2.gz GYCCWFBACGHMBE-ILXRZTDVSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001440493813 1181559157 /nfs/dbraw/zinc/55/91/57/1181559157.db2.gz GYCCWFBACGHMBE-ILXRZTDVSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001440493813 1181559160 /nfs/dbraw/zinc/55/91/60/1181559160.db2.gz GYCCWFBACGHMBE-ILXRZTDVSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001440493813 1181559165 /nfs/dbraw/zinc/55/91/65/1181559165.db2.gz GYCCWFBACGHMBE-ILXRZTDVSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001443148199 1182862086 /nfs/dbraw/zinc/86/20/86/1182862086.db2.gz RTIPGSUTJVRGLE-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001449013509 1185487359 /nfs/dbraw/zinc/48/73/59/1185487359.db2.gz NFOGOWZALYMZHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001449013509 1185487360 /nfs/dbraw/zinc/48/73/60/1185487360.db2.gz NFOGOWZALYMZHJ-HOCLYGCPSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122106207 782444960 /nfs/dbraw/zinc/44/49/60/782444960.db2.gz AEUZVAOWSVMIBF-UHFFFAOYSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249833 782572502 /nfs/dbraw/zinc/57/25/02/782572502.db2.gz SIXYBKDXFDZCMF-BZUAXINKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106664964 782839584 /nfs/dbraw/zinc/83/95/84/782839584.db2.gz DHMPIDYIGASHBA-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765589 782924549 /nfs/dbraw/zinc/92/45/49/782924549.db2.gz KCZYSADNZHSPGO-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001333432500 1150049585 /nfs/dbraw/zinc/04/95/85/1150049585.db2.gz AIEHQFUPZISWGR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001333432500 1150049591 /nfs/dbraw/zinc/04/95/91/1150049591.db2.gz AIEHQFUPZISWGR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001333432500 1150049596 /nfs/dbraw/zinc/04/95/96/1150049596.db2.gz AIEHQFUPZISWGR-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059345 790424630 /nfs/dbraw/zinc/42/46/30/790424630.db2.gz BIVVGAOXTHOLEB-UHFFFAOYSA-N 2 1 313.445 2.082 20 30 DEEDMP C=CCCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001209160776 776673272 /nfs/dbraw/zinc/67/32/72/776673272.db2.gz BWYZZVNSDUCUPC-UHFFFAOYSA-N 2 1 318.465 2.255 20 30 DEEDMP C=CCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209160776 776673278 /nfs/dbraw/zinc/67/32/78/776673278.db2.gz BWYZZVNSDUCUPC-UHFFFAOYSA-N 2 1 318.465 2.255 20 30 DEEDMP C=CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209160776 776673284 /nfs/dbraw/zinc/67/32/84/776673284.db2.gz BWYZZVNSDUCUPC-UHFFFAOYSA-N 2 1 318.465 2.255 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385373 776978837 /nfs/dbraw/zinc/97/88/37/776978837.db2.gz AKVRSKLIBABBGX-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425123 777018618 /nfs/dbraw/zinc/01/86/18/777018618.db2.gz CALQPJAPUMJUQN-IAGOWNOFSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589319 777953578 /nfs/dbraw/zinc/95/35/78/777953578.db2.gz WOJDLSCRRMVQDM-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932746 778260648 /nfs/dbraw/zinc/26/06/48/778260648.db2.gz LNWWSBQWRNYCDB-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602680 779375043 /nfs/dbraw/zinc/37/50/43/779375043.db2.gz ZUBCQNKNIHKKLB-FGTMMUONSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790938 779453746 /nfs/dbraw/zinc/45/37/46/779453746.db2.gz OBQXGECNVUYBSU-ZWKOTPCHSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212871 779775620 /nfs/dbraw/zinc/77/56/20/779775620.db2.gz XZSXFZHXRPQGOX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212871 779775624 /nfs/dbraw/zinc/77/56/24/779775624.db2.gz XZSXFZHXRPQGOX-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001088381853 780052332 /nfs/dbraw/zinc/05/23/32/780052332.db2.gz OMJMWXQUVXPYQE-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769771 780969199 /nfs/dbraw/zinc/96/91/99/780969199.db2.gz CRDNMMIFABTJNA-QAPCUYQASA-N 2 1 315.461 2.169 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088817589 781046807 /nfs/dbraw/zinc/04/68/07/781046807.db2.gz XERZNQKZKFNGNO-YVSFHVDLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817589 781046815 /nfs/dbraw/zinc/04/68/15/781046815.db2.gz XERZNQKZKFNGNO-YVSFHVDLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001088817589 781046823 /nfs/dbraw/zinc/04/68/23/781046823.db2.gz XERZNQKZKFNGNO-YVSFHVDLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616798 783280836 /nfs/dbraw/zinc/28/08/36/783280836.db2.gz NYUFCRYWSYPFBB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570815 783506705 /nfs/dbraw/zinc/50/67/05/783506705.db2.gz RLYQFXHPJHKGOG-MRXNPFEDSA-N 2 1 324.428 2.202 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619944 783531762 /nfs/dbraw/zinc/53/17/62/783531762.db2.gz AOXLNDIEIHAWTI-KRWDZBQOSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621243 783534401 /nfs/dbraw/zinc/53/44/01/783534401.db2.gz NAVHNCICGRLFPZ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621243 783534405 /nfs/dbraw/zinc/53/44/05/783534405.db2.gz NAVHNCICGRLFPZ-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085638880 783913898 /nfs/dbraw/zinc/91/38/98/783913898.db2.gz CEXZOVYRPOAZDI-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085638880 783913900 /nfs/dbraw/zinc/91/39/00/783913900.db2.gz CEXZOVYRPOAZDI-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085638880 783913903 /nfs/dbraw/zinc/91/39/03/783913903.db2.gz CEXZOVYRPOAZDI-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052420 784214398 /nfs/dbraw/zinc/21/43/98/784214398.db2.gz BFGHFVOADFOYCJ-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052420 784214403 /nfs/dbraw/zinc/21/44/03/784214403.db2.gz BFGHFVOADFOYCJ-GOEBONIOSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377568 784338440 /nfs/dbraw/zinc/33/84/40/784338440.db2.gz JMKGIFCVLXLGII-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001086221337 784500260 /nfs/dbraw/zinc/50/02/60/784500260.db2.gz PCAMXUOMBQXQDL-YVSFHVDLSA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C ZINC000968893388 784639948 /nfs/dbraw/zinc/63/99/48/784639948.db2.gz JUGWAXFJDNZPIG-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500163 784937660 /nfs/dbraw/zinc/93/76/60/784937660.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500163 784937662 /nfs/dbraw/zinc/93/76/62/784937662.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007500163 784937663 /nfs/dbraw/zinc/93/76/63/784937663.db2.gz RAQBTQKNKWTSIP-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001091267144 791074369 /nfs/dbraw/zinc/07/43/69/791074369.db2.gz AMAPFDCZYVCXHP-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007725238 784983056 /nfs/dbraw/zinc/98/30/56/784983056.db2.gz YWSQGOMNIRHLDG-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134213 785052177 /nfs/dbraw/zinc/05/21/77/785052177.db2.gz RIZUTIXSEIFYGO-FVQHAEBGSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008299116 785167122 /nfs/dbraw/zinc/16/71/22/785167122.db2.gz NKUDBADGDYBEMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001008299116 785167127 /nfs/dbraw/zinc/16/71/27/785167127.db2.gz NKUDBADGDYBEMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001008299116 785167129 /nfs/dbraw/zinc/16/71/29/785167129.db2.gz NKUDBADGDYBEMK-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009629592 785495274 /nfs/dbraw/zinc/49/52/74/785495274.db2.gz SPMDCCGFDKBKBA-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248664 791123837 /nfs/dbraw/zinc/12/38/37/791123837.db2.gz XFVZFLNURUQPIJ-HOTGVXAUSA-N 2 1 316.449 2.048 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171253415 791145108 /nfs/dbraw/zinc/14/51/08/791145108.db2.gz CUQZNSKVMKJZGB-SJORKVTESA-N 2 1 307.482 2.147 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171253413 791145305 /nfs/dbraw/zinc/14/53/05/791145305.db2.gz CUQZNSKVMKJZGB-IAGOWNOFSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417419 785861745 /nfs/dbraw/zinc/86/17/45/785861745.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417419 785861754 /nfs/dbraw/zinc/86/17/54/785861754.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417419 785861765 /nfs/dbraw/zinc/86/17/65/785861765.db2.gz BANNYYFKDSYNCH-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654119 785976673 /nfs/dbraw/zinc/97/66/73/785976673.db2.gz XHTNTJJYQMAOQY-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688622 785988604 /nfs/dbraw/zinc/98/86/04/785988604.db2.gz YOXOJCKNKIFXPB-LTIDMASMSA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001112969531 786337289 /nfs/dbraw/zinc/33/72/89/786337289.db2.gz MBGJUTWTUCNYGH-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001112969531 786337293 /nfs/dbraw/zinc/33/72/93/786337293.db2.gz MBGJUTWTUCNYGH-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156631 786419927 /nfs/dbraw/zinc/41/99/27/786419927.db2.gz PBQGWJLIZUUKPD-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015597940 787129874 /nfs/dbraw/zinc/12/98/74/787129874.db2.gz CPGSHGUILFNFLD-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597940 787129872 /nfs/dbraw/zinc/12/98/72/787129872.db2.gz CPGSHGUILFNFLD-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015597940 787129876 /nfs/dbraw/zinc/12/98/76/787129876.db2.gz CPGSHGUILFNFLD-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158283213 787571146 /nfs/dbraw/zinc/57/11/46/787571146.db2.gz FMNGZQVCLZRKQM-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264877 787996121 /nfs/dbraw/zinc/99/61/21/787996121.db2.gz DDKKJEZAQWBPFV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001097177396 788009625 /nfs/dbraw/zinc/00/96/25/788009625.db2.gz QFALRLUKMRUSPN-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097177396 788009632 /nfs/dbraw/zinc/00/96/32/788009632.db2.gz QFALRLUKMRUSPN-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097177396 788009642 /nfs/dbraw/zinc/00/96/42/788009642.db2.gz QFALRLUKMRUSPN-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)CC[C@H]1C ZINC001132541315 788117872 /nfs/dbraw/zinc/11/78/72/788117872.db2.gz CVMAMHLASMIAOY-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976512 788245775 /nfs/dbraw/zinc/24/57/75/788245775.db2.gz FIUJCDQQBXEBCC-SWLSCSKDSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133225068 788321889 /nfs/dbraw/zinc/32/18/89/788321889.db2.gz GCUBHZZXWYBKMQ-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086712279 788610306 /nfs/dbraw/zinc/61/03/06/788610306.db2.gz YISOCNVWXVPASX-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086716648 788739418 /nfs/dbraw/zinc/73/94/18/788739418.db2.gz KUQOSAQHYXHNTQ-ARFHVFGLSA-N 2 1 316.449 2.211 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919348 789971808 /nfs/dbraw/zinc/97/18/08/789971808.db2.gz AINUJZNXBJTWFM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973230 789994941 /nfs/dbraw/zinc/99/49/41/789994941.db2.gz FLBBTTYJMQPHST-YJBOKZPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096010 790050939 /nfs/dbraw/zinc/05/09/39/790050939.db2.gz RYTLJSOFQCUFKP-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635886 /nfs/dbraw/zinc/63/58/86/791635886.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635890 /nfs/dbraw/zinc/63/58/90/791635890.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666531 791635893 /nfs/dbraw/zinc/63/58/93/791635893.db2.gz AYPBJIDGYWUECQ-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731465 /nfs/dbraw/zinc/73/14/65/791731465.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731468 /nfs/dbraw/zinc/73/14/68/791731468.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292899 791731470 /nfs/dbraw/zinc/73/14/70/791731470.db2.gz ZKOOVXIHTYKSTF-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735570 791774737 /nfs/dbraw/zinc/77/47/37/791774737.db2.gz VWTOLMCSCVTBCW-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985094 791913585 /nfs/dbraw/zinc/91/35/85/791913585.db2.gz HOEGNYKMEFUXJD-LMMKCTJWSA-N 2 1 321.509 2.319 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914346 791982978 /nfs/dbraw/zinc/98/29/78/791982978.db2.gz SJGBQEFSIDUVDH-KXBFYZLASA-N 2 1 324.428 2.413 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110538 792100493 /nfs/dbraw/zinc/10/04/93/792100493.db2.gz FWYOGBLSFJKYFQ-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110538 792100501 /nfs/dbraw/zinc/10/05/01/792100501.db2.gz FWYOGBLSFJKYFQ-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001099110538 792100507 /nfs/dbraw/zinc/10/05/07/792100507.db2.gz FWYOGBLSFJKYFQ-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774291 792134570 /nfs/dbraw/zinc/13/45/70/792134570.db2.gz KPRVXIYBOWURNZ-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848544 792881154 /nfs/dbraw/zinc/88/11/54/792881154.db2.gz RABSTETZEWTPNT-DAWZGUTISA-N 2 1 319.493 2.149 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172300040 793408335 /nfs/dbraw/zinc/40/83/35/793408335.db2.gz RHWOIRTUZZNIHL-OAHLLOKOSA-N 2 1 301.434 2.190 20 30 DEEDMP C[C@@H](CCCC#N)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172495068 793438104 /nfs/dbraw/zinc/43/81/04/793438104.db2.gz MLZJPSADRZCJIA-INIZCTEOSA-N 2 1 315.465 2.419 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102780953 793752727 /nfs/dbraw/zinc/75/27/27/793752727.db2.gz WHBXXOMTBTZITC-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102780953 793752731 /nfs/dbraw/zinc/75/27/31/793752731.db2.gz WHBXXOMTBTZITC-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102780953 793752736 /nfs/dbraw/zinc/75/27/36/793752736.db2.gz WHBXXOMTBTZITC-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001174906904 794098597 /nfs/dbraw/zinc/09/85/97/794098597.db2.gz XXMUEQJOEBVDPG-ULQDDVLXSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662763 794181592 /nfs/dbraw/zinc/18/15/92/794181592.db2.gz POVHOEUYCMKRTO-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662763 794181596 /nfs/dbraw/zinc/18/15/96/794181596.db2.gz POVHOEUYCMKRTO-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662763 794181601 /nfs/dbraw/zinc/18/16/01/794181601.db2.gz POVHOEUYCMKRTO-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591485 794451842 /nfs/dbraw/zinc/45/18/42/794451842.db2.gz LFZQMUWKMWYFDQ-HNNXBMFYSA-N 2 1 306.454 2.422 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111909693 794524459 /nfs/dbraw/zinc/52/44/59/794524459.db2.gz JQKPHGGTZAFNNL-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119144 794683508 /nfs/dbraw/zinc/68/35/08/794683508.db2.gz RYBWRXBEZFYCSS-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115119144 794683515 /nfs/dbraw/zinc/68/35/15/794683515.db2.gz RYBWRXBEZFYCSS-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115119144 794683520 /nfs/dbraw/zinc/68/35/20/794683520.db2.gz RYBWRXBEZFYCSS-IMBTUZDBSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242705 794712649 /nfs/dbraw/zinc/71/26/49/794712649.db2.gz APGIDEHJOZXSFI-VQFNDLOPSA-N 2 1 318.465 2.208 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242705 794712653 /nfs/dbraw/zinc/71/26/53/794712653.db2.gz APGIDEHJOZXSFI-VQFNDLOPSA-N 2 1 318.465 2.208 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115301562 794728294 /nfs/dbraw/zinc/72/82/94/794728294.db2.gz BTPGUSHROJZLCL-VSZNYVQBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533395 794812584 /nfs/dbraw/zinc/81/25/84/794812584.db2.gz DHGGVPLOODPAFP-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611541 794841286 /nfs/dbraw/zinc/84/12/86/794841286.db2.gz MPBWMPJOISLKPM-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179740891 795160932 /nfs/dbraw/zinc/16/09/32/795160932.db2.gz ACSOPDBEVHDLKF-UHFFFAOYSA-N 2 1 318.465 2.296 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120423230 795456866 /nfs/dbraw/zinc/45/68/66/795456866.db2.gz SEYCJLPTORCFID-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440147 795460047 /nfs/dbraw/zinc/46/00/47/795460047.db2.gz MAOZPJGZXGMMCK-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440147 795460051 /nfs/dbraw/zinc/46/00/51/795460051.db2.gz MAOZPJGZXGMMCK-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440147 795460055 /nfs/dbraw/zinc/46/00/55/795460055.db2.gz MAOZPJGZXGMMCK-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439485 795460063 /nfs/dbraw/zinc/46/00/63/795460063.db2.gz HBBISEIFFLMBHV-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440634 795461289 /nfs/dbraw/zinc/46/12/89/795461289.db2.gz QBVBEGJRMOQQCW-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440634 795461292 /nfs/dbraw/zinc/46/12/92/795461292.db2.gz QBVBEGJRMOQQCW-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440634 795461294 /nfs/dbraw/zinc/46/12/94/795461294.db2.gz QBVBEGJRMOQQCW-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121774101 795685896 /nfs/dbraw/zinc/68/58/96/795685896.db2.gz YKXVVMUKAQYEHY-KZIPQDEESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676115 795725262 /nfs/dbraw/zinc/72/52/62/795725262.db2.gz ANQFUYOEVYJEIC-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184309882 796030519 /nfs/dbraw/zinc/03/05/19/796030519.db2.gz MDYNFWXZLAGIAK-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184811056 796131307 /nfs/dbraw/zinc/13/13/07/796131307.db2.gz UPWUYLLXSLYHOB-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185090431 796179206 /nfs/dbraw/zinc/17/92/06/796179206.db2.gz LOYRMEPHQMYBEV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185215273 796215413 /nfs/dbraw/zinc/21/54/13/796215413.db2.gz KKKOETPJHPTWMK-HOTGVXAUSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185749544 796309994 /nfs/dbraw/zinc/30/99/94/796309994.db2.gz CJMWQCZGFVMIFT-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203026685 796511610 /nfs/dbraw/zinc/51/16/10/796511610.db2.gz AMBXPDVIJJNXQT-CVEARBPZSA-N 2 1 305.466 2.064 20 30 DEEDMP CSc1nc(C[NH+]2CCC3(C[NH+](C)C3)CC2)ccc1C#N ZINC001141943685 796700264 /nfs/dbraw/zinc/70/02/64/796700264.db2.gz FXZXCJBTUVTMDO-UHFFFAOYSA-N 2 1 302.447 2.203 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189160076 796777132 /nfs/dbraw/zinc/77/71/32/796777132.db2.gz UWANOFXCSMYLAY-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189160076 796777133 /nfs/dbraw/zinc/77/71/33/796777133.db2.gz UWANOFXCSMYLAY-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189160076 796777135 /nfs/dbraw/zinc/77/71/35/796777135.db2.gz UWANOFXCSMYLAY-DLBZAZTESA-N 2 1 321.509 2.463 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119145 796870371 /nfs/dbraw/zinc/87/03/71/796870371.db2.gz RYBWRXBEZFYCSS-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115119145 796870375 /nfs/dbraw/zinc/87/03/75/796870375.db2.gz RYBWRXBEZFYCSS-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115119145 796870377 /nfs/dbraw/zinc/87/03/77/796870377.db2.gz RYBWRXBEZFYCSS-VXNCWWDNSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189898286 796907815 /nfs/dbraw/zinc/90/78/15/796907815.db2.gz JTYKIOPSUYGDJF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898286 796907816 /nfs/dbraw/zinc/90/78/16/796907816.db2.gz JTYKIOPSUYGDJF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898286 796907818 /nfs/dbraw/zinc/90/78/18/796907818.db2.gz JTYKIOPSUYGDJF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153382266 797331853 /nfs/dbraw/zinc/33/18/53/797331853.db2.gz ZGCLZIMIRRHRNL-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCCC ZINC001153868235 797414651 /nfs/dbraw/zinc/41/46/51/797414651.db2.gz ORLMVTMYTAXXPY-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001153868235 797414657 /nfs/dbraw/zinc/41/46/57/797414657.db2.gz ORLMVTMYTAXXPY-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCC ZINC001153868235 797414662 /nfs/dbraw/zinc/41/46/62/797414662.db2.gz ORLMVTMYTAXXPY-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCC ZINC001153868235 797414668 /nfs/dbraw/zinc/41/46/68/797414668.db2.gz ORLMVTMYTAXXPY-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858749 797465682 /nfs/dbraw/zinc/46/56/82/797465682.db2.gz UGKIWCLGAJRXMI-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858749 797465687 /nfs/dbraw/zinc/46/56/87/797465687.db2.gz UGKIWCLGAJRXMI-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192907567 797469489 /nfs/dbraw/zinc/46/94/89/797469489.db2.gz YDVUEHUYLZUUIX-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192907567 797469491 /nfs/dbraw/zinc/46/94/91/797469491.db2.gz YDVUEHUYLZUUIX-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192907567 797469493 /nfs/dbraw/zinc/46/94/93/797469493.db2.gz YDVUEHUYLZUUIX-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080213 797674334 /nfs/dbraw/zinc/67/43/34/797674334.db2.gz IMARHCUAXZQDMQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275820 797697361 /nfs/dbraw/zinc/69/73/61/797697361.db2.gz YFGGXVCSGIGYES-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155826019 797858587 /nfs/dbraw/zinc/85/85/87/797858587.db2.gz YEYIAVNFLWQELR-OAHLLOKOSA-N 2 1 306.454 2.374 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155826019 797858589 /nfs/dbraw/zinc/85/85/89/797858589.db2.gz YEYIAVNFLWQELR-OAHLLOKOSA-N 2 1 306.454 2.374 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839514 797861693 /nfs/dbraw/zinc/86/16/93/797861693.db2.gz YAQUUJXPDMKICD-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149577 798154878 /nfs/dbraw/zinc/15/48/78/798154878.db2.gz BLSKISAWGXKURQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001197149577 798154881 /nfs/dbraw/zinc/15/48/81/798154881.db2.gz BLSKISAWGXKURQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001197149577 798154885 /nfs/dbraw/zinc/15/48/85/798154885.db2.gz BLSKISAWGXKURQ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203901981 798318127 /nfs/dbraw/zinc/31/81/27/798318127.db2.gz ATBJOCWJWIITTB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158083419 798339347 /nfs/dbraw/zinc/33/93/47/798339347.db2.gz XRZFQPNGGPEGBX-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158083419 798339352 /nfs/dbraw/zinc/33/93/52/798339352.db2.gz XRZFQPNGGPEGBX-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158083419 798339358 /nfs/dbraw/zinc/33/93/58/798339358.db2.gz XRZFQPNGGPEGBX-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360647 798679364 /nfs/dbraw/zinc/67/93/64/798679364.db2.gz UFNHKSZIPONBRI-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360647 798679366 /nfs/dbraw/zinc/67/93/66/798679366.db2.gz UFNHKSZIPONBRI-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360647 798679368 /nfs/dbraw/zinc/67/93/68/798679368.db2.gz UFNHKSZIPONBRI-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044345 798709590 /nfs/dbraw/zinc/70/95/90/798709590.db2.gz UGXLGCRNBDGWOC-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C/CC)CC1 ZINC001201094923 798711870 /nfs/dbraw/zinc/71/18/70/798711870.db2.gz YFIATBIGQZNRLW-QWNKOJSDSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C/CC)CC1 ZINC001201094923 798711872 /nfs/dbraw/zinc/71/18/72/798711872.db2.gz YFIATBIGQZNRLW-QWNKOJSDSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201094835 798712058 /nfs/dbraw/zinc/71/20/58/798712058.db2.gz XHRQKOITTWSHBJ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001201094835 798712059 /nfs/dbraw/zinc/71/20/59/798712059.db2.gz XHRQKOITTWSHBJ-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161083592 798793586 /nfs/dbraw/zinc/79/35/86/798793586.db2.gz CHEFXYMDDBMOIC-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161704578 798916829 /nfs/dbraw/zinc/91/68/29/798916829.db2.gz DDVWYCSWBYYTBA-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704578 798916832 /nfs/dbraw/zinc/91/68/32/798916832.db2.gz DDVWYCSWBYYTBA-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704578 798916835 /nfs/dbraw/zinc/91/68/35/798916835.db2.gz DDVWYCSWBYYTBA-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879104 798956931 /nfs/dbraw/zinc/95/69/31/798956931.db2.gz FDQRZBXYAADHNM-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001114403635 799089775 /nfs/dbraw/zinc/08/97/75/799089775.db2.gz WEUIPPVYKYBZGZ-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001114403635 799089781 /nfs/dbraw/zinc/08/97/81/799089781.db2.gz WEUIPPVYKYBZGZ-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001114403635 799089787 /nfs/dbraw/zinc/08/97/87/799089787.db2.gz WEUIPPVYKYBZGZ-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525551 799647921 /nfs/dbraw/zinc/64/79/21/799647921.db2.gz WNXHEWLZSRATCD-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525551 799647925 /nfs/dbraw/zinc/64/79/25/799647925.db2.gz WNXHEWLZSRATCD-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525551 799647928 /nfs/dbraw/zinc/64/79/28/799647928.db2.gz WNXHEWLZSRATCD-BDXSIMOUSA-N 2 1 319.493 2.262 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001206048126 800464429 /nfs/dbraw/zinc/46/44/29/800464429.db2.gz PEQLFRUCXYMXQD-UHFFFAOYSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC001206048126 800464436 /nfs/dbraw/zinc/46/44/36/800464436.db2.gz PEQLFRUCXYMXQD-UHFFFAOYSA-N 2 1 323.481 2.225 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948065 800638393 /nfs/dbraw/zinc/63/83/93/800638393.db2.gz TULDNKKHJKOLCV-IYBDPMFKSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001208109316 800914479 /nfs/dbraw/zinc/91/44/79/800914479.db2.gz IUZUGNMIEYETOW-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279210 800945232 /nfs/dbraw/zinc/94/52/32/800945232.db2.gz KSSZFRNZBZBCLT-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CC(C)(C)C(=O)CC)CC1 ZINC001208923640 801094638 /nfs/dbraw/zinc/09/46/38/801094638.db2.gz TZYAGCIYGBOVTL-UHFFFAOYSA-N 2 1 321.509 2.283 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063985 801507256 /nfs/dbraw/zinc/50/72/56/801507256.db2.gz FVMASDHQVBTDRR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)C(C)C ZINC001211221107 801532348 /nfs/dbraw/zinc/53/23/48/801532348.db2.gz BALBIXJCEABDHW-GVDBMIGSSA-N 2 1 322.497 2.077 20 30 DEEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001233081861 802023255 /nfs/dbraw/zinc/02/32/55/802023255.db2.gz RQQIPJQAQVFXHR-UHFFFAOYSA-N 2 1 312.417 2.497 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850784 802033685 /nfs/dbraw/zinc/03/36/85/802033685.db2.gz RHGGVTVYXAAPIL-KBAYOESNSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cncc3C)C[C@@H]21 ZINC001223116049 802767287 /nfs/dbraw/zinc/76/72/87/802767287.db2.gz QCQXVHZTIBDDQJ-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223116049 802767291 /nfs/dbraw/zinc/76/72/91/802767291.db2.gz QCQXVHZTIBDDQJ-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223116049 802767294 /nfs/dbraw/zinc/76/72/94/802767294.db2.gz QCQXVHZTIBDDQJ-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001223525095 802798641 /nfs/dbraw/zinc/79/86/41/802798641.db2.gz QPCKFIGKFPGSKD-HNNXBMFYSA-N 2 1 315.889 2.153 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001328787696 1148835559 /nfs/dbraw/zinc/83/55/59/1148835559.db2.gz XVLCRUOQSCZICZ-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@H+](C)CC2CC[NH+](CC)CC2)c1 ZINC001461946240 1058739931 /nfs/dbraw/zinc/73/99/31/1058739931.db2.gz RHXRUINPGGOATK-UHFFFAOYSA-N 2 1 313.445 2.270 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001501240021 1059399754 /nfs/dbraw/zinc/39/97/54/1059399754.db2.gz DITQHHBECWQOKP-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001501240021 1059399771 /nfs/dbraw/zinc/39/97/71/1059399771.db2.gz DITQHHBECWQOKP-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001501240021 1059399791 /nfs/dbraw/zinc/39/97/91/1059399791.db2.gz DITQHHBECWQOKP-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001501394538 1059489807 /nfs/dbraw/zinc/48/98/07/1059489807.db2.gz IJCITNYGFVGACP-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001503024114 1060426799 /nfs/dbraw/zinc/42/67/99/1060426799.db2.gz SUCYLLXAKUZWIU-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001506621394 1062199996 /nfs/dbraw/zinc/19/99/96/1062199996.db2.gz LIDFCLQUQRRRGJ-BHYGNILZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480162519 1062410650 /nfs/dbraw/zinc/41/06/50/1062410650.db2.gz VCVCUOVRVGQJCY-SHTZXODSSA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001506863891 1062448455 /nfs/dbraw/zinc/44/84/55/1062448455.db2.gz BEPBYODNNNGCRY-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001480267875 1062571661 /nfs/dbraw/zinc/57/16/61/1062571661.db2.gz STARFOSSLCVIBV-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480267875 1062571682 /nfs/dbraw/zinc/57/16/82/1062571682.db2.gz STARFOSSLCVIBV-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480267875 1062571699 /nfs/dbraw/zinc/57/16/99/1062571699.db2.gz STARFOSSLCVIBV-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001480359151 1062712086 /nfs/dbraw/zinc/71/20/86/1062712086.db2.gz OFHHYGLRDBOFLZ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001480384712 1062767135 /nfs/dbraw/zinc/76/71/35/1062767135.db2.gz CJRHWOKRUJCBQD-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384712 1062767155 /nfs/dbraw/zinc/76/71/55/1062767155.db2.gz CJRHWOKRUJCBQD-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384712 1062767171 /nfs/dbraw/zinc/76/71/71/1062767171.db2.gz CJRHWOKRUJCBQD-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001480404017 1062810330 /nfs/dbraw/zinc/81/03/30/1062810330.db2.gz YGDJMBWKKADXNQ-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507162105 1062937719 /nfs/dbraw/zinc/93/77/19/1062937719.db2.gz ONDQVLRSLGIAFJ-HOCLYGCPSA-N 2 1 323.868 2.478 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001507324602 1063096984 /nfs/dbraw/zinc/09/69/84/1063096984.db2.gz KSNJZIDNHDYZQG-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001567371420 1064167123 /nfs/dbraw/zinc/16/71/23/1064167123.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001567371420 1064167134 /nfs/dbraw/zinc/16/71/34/1064167134.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001567371420 1064167140 /nfs/dbraw/zinc/16/71/40/1064167140.db2.gz JCQJXCZKWFDSGZ-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001494196780 1064167901 /nfs/dbraw/zinc/16/79/01/1064167901.db2.gz UEVCHQAVKBXQQU-SFHVURJKSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001567405979 1064184667 /nfs/dbraw/zinc/18/46/67/1064184667.db2.gz LXTAGSXFVGXGQD-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567405979 1064184672 /nfs/dbraw/zinc/18/46/72/1064184672.db2.gz LXTAGSXFVGXGQD-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001567405979 1064184677 /nfs/dbraw/zinc/18/46/77/1064184677.db2.gz LXTAGSXFVGXGQD-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001567693320 1064350921 /nfs/dbraw/zinc/35/09/21/1064350921.db2.gz NITRKHWAKLMCJY-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701332 1064358381 /nfs/dbraw/zinc/35/83/81/1064358381.db2.gz HFQIMTGOIMAABW-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567701332 1064358390 /nfs/dbraw/zinc/35/83/90/1064358390.db2.gz HFQIMTGOIMAABW-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567701332 1064358401 /nfs/dbraw/zinc/35/84/01/1064358401.db2.gz HFQIMTGOIMAABW-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001567730341 1064385582 /nfs/dbraw/zinc/38/55/82/1064385582.db2.gz ZRSORANSXVWUOS-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567730341 1064385586 /nfs/dbraw/zinc/38/55/86/1064385586.db2.gz ZRSORANSXVWUOS-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001567730341 1064385590 /nfs/dbraw/zinc/38/55/90/1064385590.db2.gz ZRSORANSXVWUOS-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742790 1064395357 /nfs/dbraw/zinc/39/53/57/1064395357.db2.gz USSMKGRNQDTMOV-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001567746453 1064399415 /nfs/dbraw/zinc/39/94/15/1064399415.db2.gz FPCOUAUYUSDOTF-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001567746453 1064399424 /nfs/dbraw/zinc/39/94/24/1064399424.db2.gz FPCOUAUYUSDOTF-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001567746453 1064399433 /nfs/dbraw/zinc/39/94/33/1064399433.db2.gz FPCOUAUYUSDOTF-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567767409 1064411434 /nfs/dbraw/zinc/41/14/34/1064411434.db2.gz UYAGGFFDVKWICB-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567767409 1064411435 /nfs/dbraw/zinc/41/14/35/1064411435.db2.gz UYAGGFFDVKWICB-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976715 1064572189 /nfs/dbraw/zinc/57/21/89/1064572189.db2.gz IWGJDOKSJWYQGK-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@@H]1C ZINC001568043482 1064615517 /nfs/dbraw/zinc/61/55/17/1064615517.db2.gz KWMVYZLQVUPTAH-WMZOPIPTSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001568294935 1064760716 /nfs/dbraw/zinc/76/07/16/1064760716.db2.gz KYFLVDGXVQBULS-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001495278338 1064803831 /nfs/dbraw/zinc/80/38/31/1064803831.db2.gz HPLDKOWUWMSFFK-LPHOPBHVSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568379729 1064823249 /nfs/dbraw/zinc/82/32/49/1064823249.db2.gz VKCQVXYULXAWOJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568387354 1064829698 /nfs/dbraw/zinc/82/96/98/1064829698.db2.gz VBWNNFBYKRFQSC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568669853 1065036953 /nfs/dbraw/zinc/03/69/53/1065036953.db2.gz XMWDZISCJMAMNT-AEFFLSMTSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001569061490 1065265611 /nfs/dbraw/zinc/26/56/11/1065265611.db2.gz FFVDTPIEOPSDJT-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001569061490 1065265620 /nfs/dbraw/zinc/26/56/20/1065265620.db2.gz FFVDTPIEOPSDJT-WMZOPIPTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001496312826 1065402677 /nfs/dbraw/zinc/40/26/77/1065402677.db2.gz URWUKLCHVLRWLS-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001496312826 1065402684 /nfs/dbraw/zinc/40/26/84/1065402684.db2.gz URWUKLCHVLRWLS-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001496327414 1065409809 /nfs/dbraw/zinc/40/98/09/1065409809.db2.gz TZMHOQHKIGUMRL-INIZCTEOSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001623816159 1078210228 /nfs/dbraw/zinc/21/02/28/1078210228.db2.gz VJWRIXLYXVBIJK-UHFFFAOYSA-N 2 1 315.461 2.147 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569686026 1065672388 /nfs/dbraw/zinc/67/23/88/1065672388.db2.gz XHIVBZCUSMHSPJ-GOSISDBHSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001569800434 1065723872 /nfs/dbraw/zinc/72/38/72/1065723872.db2.gz QGGFJOFZEJHONN-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001569813454 1065734846 /nfs/dbraw/zinc/73/48/46/1065734846.db2.gz HVGMZGPNBPTHOW-HOTGVXAUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC001570027110 1065891033 /nfs/dbraw/zinc/89/10/33/1065891033.db2.gz WBFYAAKCRKIOAJ-UHFFFAOYSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC001570027110 1065891048 /nfs/dbraw/zinc/89/10/48/1065891048.db2.gz WBFYAAKCRKIOAJ-UHFFFAOYSA-N 2 1 315.461 2.405 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001570027110 1065891054 /nfs/dbraw/zinc/89/10/54/1065891054.db2.gz WBFYAAKCRKIOAJ-UHFFFAOYSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497265962 1065998712 /nfs/dbraw/zinc/99/87/12/1065998712.db2.gz BQXAGEPFWFFJST-CYBMUJFWSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484339644 1079549699 /nfs/dbraw/zinc/54/96/99/1079549699.db2.gz YXEQGVCJCSSUFM-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001499618687 1067281768 /nfs/dbraw/zinc/28/17/68/1067281768.db2.gz FQVOKQJUDVFMGX-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001499618687 1067281776 /nfs/dbraw/zinc/28/17/76/1067281776.db2.gz FQVOKQJUDVFMGX-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001671309162 1078524480 /nfs/dbraw/zinc/52/44/80/1078524480.db2.gz ZRJHEGSFVYIVGK-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001580057226 1067484850 /nfs/dbraw/zinc/48/48/50/1067484850.db2.gz QCHYNCCETMAZEI-CRAIPNDOSA-N 2 1 317.408 2.416 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001580057228 1067485208 /nfs/dbraw/zinc/48/52/08/1067485208.db2.gz QCHYNCCETMAZEI-QAPCUYQASA-N 2 1 317.408 2.416 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001267132809 1078605193 /nfs/dbraw/zinc/60/51/93/1078605193.db2.gz SWRAMTVRURYYNZ-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001267132809 1078605197 /nfs/dbraw/zinc/60/51/97/1078605197.db2.gz SWRAMTVRURYYNZ-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267181788 1078646391 /nfs/dbraw/zinc/64/63/91/1078646391.db2.gz NNMOHPZXNCBGQK-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181788 1078646395 /nfs/dbraw/zinc/64/63/95/1078646395.db2.gz NNMOHPZXNCBGQK-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267181788 1078646398 /nfs/dbraw/zinc/64/63/98/1078646398.db2.gz NNMOHPZXNCBGQK-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001570813750 1068125111 /nfs/dbraw/zinc/12/51/11/1068125111.db2.gz GMKVCQQYIBQNID-AEFFLSMTSA-N 2 1 307.482 2.313 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001571526335 1068394526 /nfs/dbraw/zinc/39/45/26/1068394526.db2.gz FGMQYDVOZJZFDR-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001571670139 1068471106 /nfs/dbraw/zinc/47/11/06/1068471106.db2.gz AEUSGWLFTOVMMN-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267317801 1078760976 /nfs/dbraw/zinc/76/09/76/1078760976.db2.gz ANQGTEWMLLYOEN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267317801 1078760979 /nfs/dbraw/zinc/76/09/79/1078760979.db2.gz ANQGTEWMLLYOEN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267317801 1078760983 /nfs/dbraw/zinc/76/09/83/1078760983.db2.gz ANQGTEWMLLYOEN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001267334989 1078772800 /nfs/dbraw/zinc/77/28/00/1078772800.db2.gz WCQPPXVLPMNKSS-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001267334989 1078772808 /nfs/dbraw/zinc/77/28/08/1078772808.db2.gz WCQPPXVLPMNKSS-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001267334989 1078772815 /nfs/dbraw/zinc/77/28/15/1078772815.db2.gz WCQPPXVLPMNKSS-OAHLLOKOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001267419373 1078839047 /nfs/dbraw/zinc/83/90/47/1078839047.db2.gz MHCJGKNCTFUYBM-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459766 1078867633 /nfs/dbraw/zinc/86/76/33/1078867633.db2.gz MPORELOMBTVAGA-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001574667872 1069245890 /nfs/dbraw/zinc/24/58/90/1069245890.db2.gz YCPITTSWXKRLHX-UHFFFAOYSA-N 2 1 319.836 2.356 20 30 DEEDMP C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001574667872 1069245897 /nfs/dbraw/zinc/24/58/97/1069245897.db2.gz YCPITTSWXKRLHX-UHFFFAOYSA-N 2 1 319.836 2.356 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001267464959 1078877300 /nfs/dbraw/zinc/87/73/00/1078877300.db2.gz BBZLJOCYWHLPLE-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267464959 1078877311 /nfs/dbraw/zinc/87/73/11/1078877311.db2.gz BBZLJOCYWHLPLE-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267464959 1078877315 /nfs/dbraw/zinc/87/73/15/1078877315.db2.gz BBZLJOCYWHLPLE-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001542326521 1072456286 /nfs/dbraw/zinc/45/62/86/1072456286.db2.gz GMTFLERZEFVUPH-NVXWUHKLSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267537415 1078967020 /nfs/dbraw/zinc/96/70/20/1078967020.db2.gz IPTAWRVWVOKESN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267537415 1078967026 /nfs/dbraw/zinc/96/70/26/1078967026.db2.gz IPTAWRVWVOKESN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267537415 1078967033 /nfs/dbraw/zinc/96/70/33/1078967033.db2.gz IPTAWRVWVOKESN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267566555 1079000340 /nfs/dbraw/zinc/00/03/40/1079000340.db2.gz GGSYRIKZIRRISN-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCN1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672584 1079107484 /nfs/dbraw/zinc/10/74/84/1079107484.db2.gz IEISZKYJSOIJJP-SFHVURJKSA-N 2 1 310.401 2.173 20 30 DEEDMP C=CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672584 1079107489 /nfs/dbraw/zinc/10/74/89/1079107489.db2.gz IEISZKYJSOIJJP-SFHVURJKSA-N 2 1 310.401 2.173 20 30 DEEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272672672 1079108454 /nfs/dbraw/zinc/10/84/54/1079108454.db2.gz JUHMRYJVRZCAGM-LJQANCHMSA-N 2 1 322.412 2.153 20 30 DEEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272672672 1079108457 /nfs/dbraw/zinc/10/84/57/1079108457.db2.gz JUHMRYJVRZCAGM-LJQANCHMSA-N 2 1 322.412 2.153 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267596705 1079114135 /nfs/dbraw/zinc/11/41/35/1079114135.db2.gz OZUPWXNHCORTJN-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001483845928 1079148251 /nfs/dbraw/zinc/14/82/51/1079148251.db2.gz SQUJVIZRNKRQRJ-GOSISDBHSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001483863049 1079157888 /nfs/dbraw/zinc/15/78/88/1079157888.db2.gz KRGJOPATNHHIDB-NVXWUHKLSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481118405 1079206197 /nfs/dbraw/zinc/20/61/97/1079206197.db2.gz HQDMATBOJGRKML-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118405 1079206204 /nfs/dbraw/zinc/20/62/04/1079206204.db2.gz HQDMATBOJGRKML-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118405 1079206211 /nfs/dbraw/zinc/20/62/11/1079206211.db2.gz HQDMATBOJGRKML-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001483997328 1079231294 /nfs/dbraw/zinc/23/12/94/1079231294.db2.gz WJSRGGWFHMLMRQ-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481140367 1079248348 /nfs/dbraw/zinc/24/83/48/1079248348.db2.gz VRZMXBZUYOONRK-UHFFFAOYSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267629602 1079309240 /nfs/dbraw/zinc/30/92/40/1079309240.db2.gz BFDIYSOHXRDSAI-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267629602 1079309248 /nfs/dbraw/zinc/30/92/48/1079309248.db2.gz BFDIYSOHXRDSAI-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267629602 1079309255 /nfs/dbraw/zinc/30/92/55/1079309255.db2.gz BFDIYSOHXRDSAI-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484124924 1079314059 /nfs/dbraw/zinc/31/40/59/1079314059.db2.gz KPBDKVHJSAIWSA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001283720882 1079323285 /nfs/dbraw/zinc/32/32/85/1079323285.db2.gz GMFPJZJHRPCVHU-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001283720882 1079323295 /nfs/dbraw/zinc/32/32/95/1079323295.db2.gz GMFPJZJHRPCVHU-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484176138 1079347182 /nfs/dbraw/zinc/34/71/82/1079347182.db2.gz WBHVZUYCKRWNTA-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001484176138 1079347185 /nfs/dbraw/zinc/34/71/85/1079347185.db2.gz WBHVZUYCKRWNTA-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCN1CC[C@@H]1CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001565832011 1075192522 /nfs/dbraw/zinc/19/25/22/1075192522.db2.gz SHIGNRQDSHQUHZ-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267680932 1079370067 /nfs/dbraw/zinc/37/00/67/1079370067.db2.gz CCBICWRHIDXQRR-CQSZACIVSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942639 1075208926 /nfs/dbraw/zinc/20/89/26/1075208926.db2.gz CNIXXPSYSJPEIM-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267700942 1079388127 /nfs/dbraw/zinc/38/81/27/1079388127.db2.gz KQEIDQBHPWVEHM-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001566755974 1075337480 /nfs/dbraw/zinc/33/74/80/1075337480.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001566755974 1075337487 /nfs/dbraw/zinc/33/74/87/1075337487.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001566755974 1075337490 /nfs/dbraw/zinc/33/74/90/1075337490.db2.gz YCZCVGCPZPLSGE-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001566766886 1075339587 /nfs/dbraw/zinc/33/95/87/1075339587.db2.gz XBGDNIWWLMUZED-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001267706610 1079394516 /nfs/dbraw/zinc/39/45/16/1079394516.db2.gz FFZNDABDGMLHOZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267706610 1079394520 /nfs/dbraw/zinc/39/45/20/1079394520.db2.gz FFZNDABDGMLHOZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267706610 1079394525 /nfs/dbraw/zinc/39/45/25/1079394525.db2.gz FFZNDABDGMLHOZ-YESZJQIVSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001567016312 1075416941 /nfs/dbraw/zinc/41/69/41/1075416941.db2.gz FFGOSPJEJSOQAD-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173669 1075453255 /nfs/dbraw/zinc/45/32/55/1075453255.db2.gz WCPORUMKSBSRDZ-HOTGVXAUSA-N 2 1 316.449 2.047 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267946537 1079625457 /nfs/dbraw/zinc/62/54/57/1079625457.db2.gz SWJZAUKHPILACH-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484526505 1079640674 /nfs/dbraw/zinc/64/06/74/1079640674.db2.gz FWKIWIMEGDDABT-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481443175 1079856693 /nfs/dbraw/zinc/85/66/93/1079856693.db2.gz RKINAFZGVWIEHM-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481462699 1079910112 /nfs/dbraw/zinc/91/01/12/1079910112.db2.gz VGUXBUPOLBBHQP-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001485073013 1079958224 /nfs/dbraw/zinc/95/82/24/1079958224.db2.gz NEOBTPBDTKHFNW-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001485254258 1080088756 /nfs/dbraw/zinc/08/87/56/1080088756.db2.gz ZDNVBNABUHMXIN-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1C ZINC001656957106 1080142351 /nfs/dbraw/zinc/14/23/51/1080142351.db2.gz GMTHKFHZISPXDB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001657076274 1080152312 /nfs/dbraw/zinc/15/23/12/1080152312.db2.gz VBVATEIDKAOMII-ZWKOTPCHSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345553 1080157430 /nfs/dbraw/zinc/15/74/30/1080157430.db2.gz SVZYVLFHBOESKC-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485345553 1080157434 /nfs/dbraw/zinc/15/74/34/1080157434.db2.gz SVZYVLFHBOESKC-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001268169960 1080158655 /nfs/dbraw/zinc/15/86/55/1080158655.db2.gz QJMQWYZNWYYIRG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001268169960 1080158658 /nfs/dbraw/zinc/15/86/58/1080158658.db2.gz QJMQWYZNWYYIRG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001268169960 1080158664 /nfs/dbraw/zinc/15/86/64/1080158664.db2.gz QJMQWYZNWYYIRG-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001268226552 1080208522 /nfs/dbraw/zinc/20/85/22/1080208522.db2.gz BJZXZTHTVCZUSN-ZWKOTPCHSA-N 2 1 315.461 2.043 20 30 DEEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001485793640 1080437167 /nfs/dbraw/zinc/43/71/67/1080437167.db2.gz ZSZAGWQDAWPSQK-QZTJIDSGSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001661213159 1080456780 /nfs/dbraw/zinc/45/67/80/1080456780.db2.gz MGMSMMWGEWUGHO-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001661213159 1080456783 /nfs/dbraw/zinc/45/67/83/1080456783.db2.gz MGMSMMWGEWUGHO-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001661213159 1080456788 /nfs/dbraw/zinc/45/67/88/1080456788.db2.gz MGMSMMWGEWUGHO-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481975131 1080661979 /nfs/dbraw/zinc/66/19/79/1080661979.db2.gz QLYAOAKOVSZTEU-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663067802 1080694617 /nfs/dbraw/zinc/69/46/17/1080694617.db2.gz XRLXYBCFLKWKNY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663067802 1080694623 /nfs/dbraw/zinc/69/46/23/1080694623.db2.gz XRLXYBCFLKWKNY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663067802 1080694631 /nfs/dbraw/zinc/69/46/31/1080694631.db2.gz XRLXYBCFLKWKNY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001664457436 1080912833 /nfs/dbraw/zinc/91/28/33/1080912833.db2.gz OGVQSLAJGPZEIU-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268742415 1080962681 /nfs/dbraw/zinc/96/26/81/1080962681.db2.gz HOUFMRNCOGONQJ-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268742415 1080962686 /nfs/dbraw/zinc/96/26/86/1080962686.db2.gz HOUFMRNCOGONQJ-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268742415 1080962694 /nfs/dbraw/zinc/96/26/94/1080962694.db2.gz HOUFMRNCOGONQJ-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665617398 1081047710 /nfs/dbraw/zinc/04/77/10/1081047710.db2.gz QGUJINRYICBSIY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001665617398 1081047717 /nfs/dbraw/zinc/04/77/17/1081047717.db2.gz QGUJINRYICBSIY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001665617398 1081047722 /nfs/dbraw/zinc/04/77/22/1081047722.db2.gz QGUJINRYICBSIY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269026394 1081089360 /nfs/dbraw/zinc/08/93/60/1081089360.db2.gz WWHUCTYWFJZSHL-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269026394 1081089365 /nfs/dbraw/zinc/08/93/65/1081089365.db2.gz WWHUCTYWFJZSHL-GJZGRUSLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269129461 1081130272 /nfs/dbraw/zinc/13/02/72/1081130272.db2.gz KDOYKOPEUBESJD-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001666500858 1081156216 /nfs/dbraw/zinc/15/62/16/1081156216.db2.gz CXFFGYSAIXSCPM-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001667133849 1081214954 /nfs/dbraw/zinc/21/49/54/1081214954.db2.gz ACVWXIVINDFFAP-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001269621776 1081310966 /nfs/dbraw/zinc/31/09/66/1081310966.db2.gz OBWHUSJWGMXKLJ-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001668178847 1081324468 /nfs/dbraw/zinc/32/44/68/1081324468.db2.gz NGWHLBVPVYVKFX-LSDHHAIUSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001668455036 1081356992 /nfs/dbraw/zinc/35/69/92/1081356992.db2.gz HGVNNGFKOFAVOP-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001269859029 1081384531 /nfs/dbraw/zinc/38/45/31/1081384531.db2.gz KIDHGUZJIRACRA-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001270244535 1081483246 /nfs/dbraw/zinc/48/32/46/1081483246.db2.gz KCBPPFZGAGFAIR-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001270458047 1081530379 /nfs/dbraw/zinc/53/03/79/1081530379.db2.gz JMZWVCNIHOUFDD-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001671843142 1081542646 /nfs/dbraw/zinc/54/26/46/1081542646.db2.gz SHPRWJVLWYZTJV-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001673201294 1081746107 /nfs/dbraw/zinc/74/61/07/1081746107.db2.gz AWSUSLIPJDDFMI-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001270991241 1081867965 /nfs/dbraw/zinc/86/79/65/1081867965.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001270991241 1081867969 /nfs/dbraw/zinc/86/79/69/1081867969.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001270991241 1081867978 /nfs/dbraw/zinc/86/79/78/1081867978.db2.gz MFHNALWJRFGTRN-SFHVURJKSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362033 1081999150 /nfs/dbraw/zinc/99/91/50/1081999150.db2.gz XCGRPYGABYJSQL-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266362033 1081999156 /nfs/dbraw/zinc/99/91/56/1081999156.db2.gz XCGRPYGABYJSQL-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001266390210 1082015206 /nfs/dbraw/zinc/01/52/06/1082015206.db2.gz OIVIAJDIPXITCX-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266486213 1082069527 /nfs/dbraw/zinc/06/95/27/1082069527.db2.gz MNYZOQRCZSQDGY-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001670586987 1082189299 /nfs/dbraw/zinc/18/92/99/1082189299.db2.gz DHFAOKQVWOCXRM-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266770134 1082332754 /nfs/dbraw/zinc/33/27/54/1082332754.db2.gz PEPOUTUKOAXTLN-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442765 1083397702 /nfs/dbraw/zinc/39/77/02/1083397702.db2.gz OQXGPENTCACQDB-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442765 1083397709 /nfs/dbraw/zinc/39/77/09/1083397709.db2.gz OQXGPENTCACQDB-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442765 1083397719 /nfs/dbraw/zinc/39/77/19/1083397719.db2.gz OQXGPENTCACQDB-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582755 1083493186 /nfs/dbraw/zinc/49/31/86/1083493186.db2.gz UESSRADORJHUTA-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276996050 1083725394 /nfs/dbraw/zinc/72/53/94/1083725394.db2.gz SZSTUNZIBUSCQL-JFIYKMOQSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491222925 1084166234 /nfs/dbraw/zinc/16/62/34/1084166234.db2.gz SZWDLZVRUJBGGV-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284282 1084209322 /nfs/dbraw/zinc/20/93/22/1084209322.db2.gz RPDUUUDTNQPKIX-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP N#CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423335 /nfs/dbraw/zinc/42/33/35/1084423335.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 2 1 314.433 2.235 20 30 DEEDMP N#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423342 /nfs/dbraw/zinc/42/33/42/1084423342.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 2 1 314.433 2.235 20 30 DEEDMP N#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277943565 1084423348 /nfs/dbraw/zinc/42/33/48/1084423348.db2.gz YWLVMQGGNJEZQZ-IYBDPMFKSA-N 2 1 314.433 2.235 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512794 1084451439 /nfs/dbraw/zinc/45/14/39/1084451439.db2.gz KMJKZZPCDQZXKO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512794 1084451448 /nfs/dbraw/zinc/45/14/48/1084451448.db2.gz KMJKZZPCDQZXKO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512794 1084451457 /nfs/dbraw/zinc/45/14/57/1084451457.db2.gz KMJKZZPCDQZXKO-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@H]12 ZINC001486159349 1085098881 /nfs/dbraw/zinc/09/88/81/1085098881.db2.gz GEEKABIMYMGHJR-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001494180009 1085500750 /nfs/dbraw/zinc/50/07/50/1085500750.db2.gz WETQANGNJXEQFW-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965345655 1085593682 /nfs/dbraw/zinc/59/36/82/1085593682.db2.gz CDKPDZVZENJRCR-APUKJBRXSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961180372 1085626827 /nfs/dbraw/zinc/62/68/27/1085626827.db2.gz GRZMAHPWJCAIFC-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001272968354 1085714567 /nfs/dbraw/zinc/71/45/67/1085714567.db2.gz XGFDURQHCPDQAM-RBSFLKMASA-N 2 1 302.422 2.060 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000963907146 1086594197 /nfs/dbraw/zinc/59/41/97/1086594197.db2.gz AWDWUZFEUKHDOC-GTPINHCMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963933194 1086602731 /nfs/dbraw/zinc/60/27/31/1086602731.db2.gz FYSMMSOHGFCQPB-KZIPQDEESA-N 2 1 319.493 2.167 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143224 1086665555 /nfs/dbraw/zinc/66/55/55/1086665555.db2.gz DEJXMMURIBEQHY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273143224 1086665557 /nfs/dbraw/zinc/66/55/57/1086665557.db2.gz DEJXMMURIBEQHY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143224 1086665560 /nfs/dbraw/zinc/66/55/60/1086665560.db2.gz DEJXMMURIBEQHY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143224 1086665561 /nfs/dbraw/zinc/66/55/61/1086665561.db2.gz DEJXMMURIBEQHY-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079686618 1088318944 /nfs/dbraw/zinc/31/89/44/1088318944.db2.gz AOXBPIJVADIQLD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079686618 1088318954 /nfs/dbraw/zinc/31/89/54/1088318954.db2.gz AOXBPIJVADIQLD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079686618 1088318963 /nfs/dbraw/zinc/31/89/63/1088318963.db2.gz AOXBPIJVADIQLD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001085196968 1088606555 /nfs/dbraw/zinc/60/65/55/1088606555.db2.gz WZXHRSBYMLXEIE-ZACQAIPSSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541458 1089037845 /nfs/dbraw/zinc/03/78/45/1089037845.db2.gz UMTAQUODKDQXRY-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541458 1089037857 /nfs/dbraw/zinc/03/78/57/1089037857.db2.gz UMTAQUODKDQXRY-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521514 1089999752 /nfs/dbraw/zinc/99/97/52/1089999752.db2.gz KYMGJUNSDLPLNZ-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403009 1090291168 /nfs/dbraw/zinc/29/11/68/1090291168.db2.gz BIJIZEKIHNXVLV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403009 1090291172 /nfs/dbraw/zinc/29/11/72/1090291172.db2.gz BIJIZEKIHNXVLV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403009 1090291175 /nfs/dbraw/zinc/29/11/75/1090291175.db2.gz BIJIZEKIHNXVLV-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cc1C#N ZINC001275373405 1091697434 /nfs/dbraw/zinc/69/74/34/1091697434.db2.gz GPBVEDSFBMBEBE-KDURUIRLSA-N 2 1 312.461 2.077 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001276011053 1092504619 /nfs/dbraw/zinc/50/46/19/1092504619.db2.gz KZYHYBVHJFXQDG-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001489327597 1093021946 /nfs/dbraw/zinc/02/19/46/1093021946.db2.gz AGSHGRMKCKGITN-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001489333881 1093025322 /nfs/dbraw/zinc/02/53/22/1093025322.db2.gz YSDCFRXEMNWJJL-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001489333881 1093025330 /nfs/dbraw/zinc/02/53/30/1093025330.db2.gz YSDCFRXEMNWJJL-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001490540825 1093404241 /nfs/dbraw/zinc/40/42/41/1093404241.db2.gz ZAUZZPLURROYDT-QZTJIDSGSA-N 2 1 321.509 2.489 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001490540824 1093404465 /nfs/dbraw/zinc/40/44/65/1093404465.db2.gz ZAUZZPLURROYDT-MSOLQXFVSA-N 2 1 321.509 2.489 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752954737 1138300239 /nfs/dbraw/zinc/30/02/39/1138300239.db2.gz ZDINHMBICHINNS-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001281940583 1138845059 /nfs/dbraw/zinc/84/50/59/1138845059.db2.gz AIMUVZWRJUIORM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001281940583 1138845060 /nfs/dbraw/zinc/84/50/60/1138845060.db2.gz AIMUVZWRJUIORM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001281940583 1138845061 /nfs/dbraw/zinc/84/50/61/1138845061.db2.gz AIMUVZWRJUIORM-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319080547 1140500695 /nfs/dbraw/zinc/50/06/95/1140500695.db2.gz AVDVZVFLMOCSQK-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001319394158 1140561706 /nfs/dbraw/zinc/56/17/06/1140561706.db2.gz CGKCWWAMYIHVOR-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001319786770 1140714569 /nfs/dbraw/zinc/71/45/69/1140714569.db2.gz BOCOZLCIWQXZPZ-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001319891303 1140800908 /nfs/dbraw/zinc/80/09/08/1140800908.db2.gz TVERKRHUTRYZJB-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246024342 1140849387 /nfs/dbraw/zinc/84/93/87/1140849387.db2.gz UTAHIABLYQNQOX-SJORKVTESA-N 2 1 300.487 2.274 20 30 DEEDMP N#Cc1ccc(C2CCC([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246645368 1141023540 /nfs/dbraw/zinc/02/35/40/1141023540.db2.gz UPOITQADDZIFFY-MHJFOBGBSA-N 2 1 324.472 2.222 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466519 1141065694 /nfs/dbraw/zinc/06/56/94/1141065694.db2.gz JBTFBSCJFKTAPZ-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001278466519 1141065704 /nfs/dbraw/zinc/06/57/04/1141065704.db2.gz JBTFBSCJFKTAPZ-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278468086 1141080735 /nfs/dbraw/zinc/08/07/35/1141080735.db2.gz XGZNPHROCXCUIJ-LZLYRXPVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278468089 1141081234 /nfs/dbraw/zinc/08/12/34/1141081234.db2.gz XGZNPHROCXCUIJ-XYJFISCASA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321850526 1141354846 /nfs/dbraw/zinc/35/48/46/1141354846.db2.gz ZRAXHAOWNPKORP-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322345654 1141536705 /nfs/dbraw/zinc/53/67/05/1141536705.db2.gz MCSPHUWSJSTTSC-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662229 1143304703 /nfs/dbraw/zinc/30/47/03/1143304703.db2.gz DFMLVEPFSYSWKM-INDMIFKZSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662229 1143304710 /nfs/dbraw/zinc/30/47/10/1143304710.db2.gz DFMLVEPFSYSWKM-INDMIFKZSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662229 1143304717 /nfs/dbraw/zinc/30/47/17/1143304717.db2.gz DFMLVEPFSYSWKM-INDMIFKZSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341805039 1143715237 /nfs/dbraw/zinc/71/52/37/1143715237.db2.gz HPGZFIQBQWUJSE-ROUUACIJSA-N 2 1 315.461 2.403 20 30 DEEDMP C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342535156 1143822486 /nfs/dbraw/zinc/82/24/86/1143822486.db2.gz HBDGEWMNMOCBSH-OIISXLGYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[C@@](C)([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC001256855879 1143871140 /nfs/dbraw/zinc/87/11/40/1143871140.db2.gz ANMOVCYXAKKZLP-QGZVFWFLSA-N 2 1 303.406 2.148 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258729460 1144036626 /nfs/dbraw/zinc/03/66/26/1144036626.db2.gz VIAXDWBFXRWYEF-INIZCTEOSA-N 2 1 317.477 2.165 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264618927 1144579907 /nfs/dbraw/zinc/57/99/07/1144579907.db2.gz ZFTRSVLGVLUYJT-GVDBMIGSSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@H]1C ZINC001264727426 1144601097 /nfs/dbraw/zinc/60/10/97/1144601097.db2.gz KONPYFTUYLSHGI-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001264727426 1144601102 /nfs/dbraw/zinc/60/11/02/1144601102.db2.gz KONPYFTUYLSHGI-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001264727426 1144601108 /nfs/dbraw/zinc/60/11/08/1144601108.db2.gz KONPYFTUYLSHGI-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001264727426 1144601113 /nfs/dbraw/zinc/60/11/13/1144601113.db2.gz KONPYFTUYLSHGI-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265595262 1144716267 /nfs/dbraw/zinc/71/62/67/1144716267.db2.gz VQHKKQBZKVNUFG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595262 1144716269 /nfs/dbraw/zinc/71/62/69/1144716269.db2.gz VQHKKQBZKVNUFG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595262 1144716272 /nfs/dbraw/zinc/71/62/72/1144716272.db2.gz VQHKKQBZKVNUFG-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001265626103 1144719110 /nfs/dbraw/zinc/71/91/10/1144719110.db2.gz OCGXEQNDYXOKNT-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266092360 1144804573 /nfs/dbraw/zinc/80/45/73/1144804573.db2.gz RMCDNONQFASBHI-UHFFFAOYSA-N 2 1 315.461 2.213 20 30 DEEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144619 1144809502 /nfs/dbraw/zinc/80/95/02/1144809502.db2.gz WNIKYQYNJZDHJQ-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144621 1144809505 /nfs/dbraw/zinc/80/95/05/1144809505.db2.gz WNIKYQYNJZDHJQ-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279410522 1144822195 /nfs/dbraw/zinc/82/21/95/1144822195.db2.gz ZIAUOTCASMFMJZ-FJIDUMEYSA-N 2 1 321.509 2.318 20 30 DEEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001279589766 1144825294 /nfs/dbraw/zinc/82/52/94/1144825294.db2.gz ZMLOBEWOKXXUMK-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589766 1144825296 /nfs/dbraw/zinc/82/52/96/1144825296.db2.gz ZMLOBEWOKXXUMK-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589766 1144825297 /nfs/dbraw/zinc/82/52/97/1144825297.db2.gz ZMLOBEWOKXXUMK-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001279587493 1144825306 /nfs/dbraw/zinc/82/53/06/1144825306.db2.gz MWPFWCQCCZUQOQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001279587493 1144825307 /nfs/dbraw/zinc/82/53/07/1144825307.db2.gz MWPFWCQCCZUQOQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001279587493 1144825308 /nfs/dbraw/zinc/82/53/08/1144825308.db2.gz MWPFWCQCCZUQOQ-RCCFBDPRSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001280449144 1144840284 /nfs/dbraw/zinc/84/02/84/1144840284.db2.gz LKLSCYARBOQCAJ-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001280508404 1144843097 /nfs/dbraw/zinc/84/30/97/1144843097.db2.gz YVTDUHOESDUUEF-UHFFFAOYSA-N 2 1 304.438 2.211 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777219 1144854733 /nfs/dbraw/zinc/85/47/33/1144854733.db2.gz OTKOBNFAIDNORD-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777219 1144854735 /nfs/dbraw/zinc/85/47/35/1144854735.db2.gz OTKOBNFAIDNORD-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001281963955 1144924402 /nfs/dbraw/zinc/92/44/02/1144924402.db2.gz ANEOBEMCBNAWTO-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281963955 1144924405 /nfs/dbraw/zinc/92/44/05/1144924405.db2.gz ANEOBEMCBNAWTO-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281963955 1144924408 /nfs/dbraw/zinc/92/44/08/1144924408.db2.gz ANEOBEMCBNAWTO-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819703 1145171735 /nfs/dbraw/zinc/17/17/35/1145171735.db2.gz DPWMNJOHDALGFL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819703 1145171739 /nfs/dbraw/zinc/17/17/39/1145171739.db2.gz DPWMNJOHDALGFL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819703 1145171746 /nfs/dbraw/zinc/17/17/46/1145171746.db2.gz DPWMNJOHDALGFL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001282972945 1145221302 /nfs/dbraw/zinc/22/13/02/1145221302.db2.gz OSWWNNKYYNIPEV-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP N#CCc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001365328780 1145848519 /nfs/dbraw/zinc/84/85/19/1145848519.db2.gz JXCMMZDNENVVIX-UHFFFAOYSA-N 2 1 313.445 2.486 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)(C)C ZINC001284620157 1145880414 /nfs/dbraw/zinc/88/04/14/1145880414.db2.gz XPTMOPXEDQKINP-IAGOWNOFSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491884232 1146952698 /nfs/dbraw/zinc/95/26/98/1146952698.db2.gz QOBTWPIVVIOXNK-JKSUJKDBSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154450 1147102567 /nfs/dbraw/zinc/10/25/67/1147102567.db2.gz NJROWAOCNINLME-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001366333600 1147220300 /nfs/dbraw/zinc/22/03/00/1147220300.db2.gz KNVJHCPTHLMRBL-SWLSCSKDSA-N 2 1 319.852 2.046 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001366655239 1147446568 /nfs/dbraw/zinc/44/65/68/1147446568.db2.gz VPVHRDZINDEWJC-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001366655239 1147446576 /nfs/dbraw/zinc/44/65/76/1147446576.db2.gz VPVHRDZINDEWJC-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366655239 1147446583 /nfs/dbraw/zinc/44/65/83/1147446583.db2.gz VPVHRDZINDEWJC-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001366655239 1147446595 /nfs/dbraw/zinc/44/65/95/1147446595.db2.gz VPVHRDZINDEWJC-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001316902872 1147627543 /nfs/dbraw/zinc/62/75/43/1147627543.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001316902872 1147627544 /nfs/dbraw/zinc/62/75/44/1147627544.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH+](CC)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001316902872 1147627545 /nfs/dbraw/zinc/62/75/45/1147627545.db2.gz LSCVQRHGJPQHJY-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001316988168 1147644936 /nfs/dbraw/zinc/64/49/36/1147644936.db2.gz RIAIEMCYXUGEEI-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001316988168 1147644938 /nfs/dbraw/zinc/64/49/38/1147644938.db2.gz RIAIEMCYXUGEEI-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317036567 1147651177 /nfs/dbraw/zinc/65/11/77/1147651177.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317036567 1147651178 /nfs/dbraw/zinc/65/11/78/1147651178.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317036567 1147651181 /nfs/dbraw/zinc/65/11/81/1147651181.db2.gz GVMCVHDIPJDUGI-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317038080 1147651631 /nfs/dbraw/zinc/65/16/31/1147651631.db2.gz APZVSWUMQJIVSC-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317038080 1147651633 /nfs/dbraw/zinc/65/16/33/1147651633.db2.gz APZVSWUMQJIVSC-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317126997 1147662974 /nfs/dbraw/zinc/66/29/74/1147662974.db2.gz DARBLVXKYJKDLW-BBWFWOEESA-N 2 1 301.434 2.102 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317622015 1147734101 /nfs/dbraw/zinc/73/41/01/1147734101.db2.gz CJKOHAPAUMHROZ-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317992218 1147764972 /nfs/dbraw/zinc/76/49/72/1147764972.db2.gz XTUYUZNCLHKMAI-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317992218 1147764974 /nfs/dbraw/zinc/76/49/74/1147764974.db2.gz XTUYUZNCLHKMAI-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317992218 1147764975 /nfs/dbraw/zinc/76/49/75/1147764975.db2.gz XTUYUZNCLHKMAI-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318362523 1147816533 /nfs/dbraw/zinc/81/65/33/1147816533.db2.gz BIGRSTJETUJVDQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)CC1 ZINC001326599853 1148156586 /nfs/dbraw/zinc/15/65/86/1148156586.db2.gz WJYUQDPCXGKMGM-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C[N@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000269658488 529853222 /nfs/dbraw/zinc/85/32/22/529853222.db2.gz VVJTZIWBZDWEGA-UHFFFAOYSA-N 2 1 316.327 2.406 20 30 DEEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CC1 ZINC000269658488 529853223 /nfs/dbraw/zinc/85/32/23/529853223.db2.gz VVJTZIWBZDWEGA-UHFFFAOYSA-N 2 1 316.327 2.406 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329846569 404469087 /nfs/dbraw/zinc/46/90/87/404469087.db2.gz OXQZDUXEJKQLEV-INIZCTEOSA-N 2 1 319.453 2.056 20 30 DEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)C1 ZINC000066243148 354705823 /nfs/dbraw/zinc/70/58/23/354705823.db2.gz YICCBVIHDIRYFI-AWEZNQCLSA-N 2 1 300.450 2.485 20 30 DEEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083052958 355462547 /nfs/dbraw/zinc/46/25/47/355462547.db2.gz AMCGANFHKBDVBC-HNNXBMFYSA-N 2 1 304.438 2.146 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786432 357612980 /nfs/dbraw/zinc/61/29/80/357612980.db2.gz AKDAUTYZPVVOFI-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000591765485 357757729 /nfs/dbraw/zinc/75/77/29/357757729.db2.gz GIIGGDBKRGBRNK-TVPLGVNVSA-N 2 1 315.461 2.399 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000591765485 357757733 /nfs/dbraw/zinc/75/77/33/357757733.db2.gz GIIGGDBKRGBRNK-TVPLGVNVSA-N 2 1 315.461 2.399 20 30 DEEDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180148555 199122996 /nfs/dbraw/zinc/12/29/96/199122996.db2.gz MJLPTZHNDAESLQ-MRXNPFEDSA-N 2 1 323.444 2.342 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180148555 199122998 /nfs/dbraw/zinc/12/29/98/199122998.db2.gz MJLPTZHNDAESLQ-MRXNPFEDSA-N 2 1 323.444 2.342 20 30 DEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000595896436 358574805 /nfs/dbraw/zinc/57/48/05/358574805.db2.gz OOGGOAAWJVAZBB-FHWLQOOXSA-N 2 1 313.445 2.319 20 30 DEEDMP N#CCN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000610270893 361377208 /nfs/dbraw/zinc/37/72/08/361377208.db2.gz BJEQVDVLXRYTLQ-UHFFFAOYSA-N 2 1 312.461 2.229 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H](C)COC)c1ccccc1 ZINC000264134523 284766070 /nfs/dbraw/zinc/76/60/70/284766070.db2.gz UVVRNFDARNVEBX-HOCLYGCPSA-N 2 1 306.454 2.009 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106035439 194180591 /nfs/dbraw/zinc/18/05/91/194180591.db2.gz JASRCIJRBCWULW-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)CCOC)cc1 ZINC000268840542 207006968 /nfs/dbraw/zinc/00/69/68/207006968.db2.gz UEGHSEFLYCYIEK-MRXNPFEDSA-N 2 1 304.434 2.318 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000074132482 401731042 /nfs/dbraw/zinc/73/10/42/401731042.db2.gz ACQHPAFOHKFKGN-INIZCTEOSA-N 2 1 322.497 2.010 20 30 DEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000154839118 402235424 /nfs/dbraw/zinc/23/54/24/402235424.db2.gz YTSYTIBMLKFTNK-MRXNPFEDSA-N 2 1 316.445 2.460 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000106323219 402212480 /nfs/dbraw/zinc/21/24/80/402212480.db2.gz IEZHXKDEUGEYQU-MRXNPFEDSA-N 2 1 322.497 2.058 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000106245688 402212789 /nfs/dbraw/zinc/21/27/89/402212789.db2.gz IHFRGYNMVLJTKE-UHFFFAOYSA-N 2 1 301.434 2.176 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079794 402640656 /nfs/dbraw/zinc/64/06/56/402640656.db2.gz VRKIPKLVRNXTHP-QAPCUYQASA-N 2 1 318.465 2.123 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191079794 402640660 /nfs/dbraw/zinc/64/06/60/402640660.db2.gz VRKIPKLVRNXTHP-QAPCUYQASA-N 2 1 318.465 2.123 20 30 DEEDMP CC[NH+]=C(NCc1ccsc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262025077 402721459 /nfs/dbraw/zinc/72/14/59/402721459.db2.gz ZMPCIXWBSGEYQG-SWLSCSKDSA-N 2 1 306.479 2.286 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266754768 402988732 /nfs/dbraw/zinc/98/87/32/402988732.db2.gz OWYWFSAVNXBTCT-AWEZNQCLSA-N 2 1 304.438 2.402 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000269418421 403137874 /nfs/dbraw/zinc/13/78/74/403137874.db2.gz LCARRXCXITUTTD-SFHVURJKSA-N 2 1 315.461 2.448 20 30 DEEDMP C[C@H](CCC#N)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000298636808 403429324 /nfs/dbraw/zinc/42/93/24/403429324.db2.gz WKIJFJMYRWMPTA-GOSISDBHSA-N 2 1 314.477 2.428 20 30 DEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000332030851 403465764 /nfs/dbraw/zinc/46/57/64/403465764.db2.gz SRGABNGWZNVJCX-KRWDZBQOSA-N 2 1 314.433 2.303 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)C2 ZINC000329540607 404370029 /nfs/dbraw/zinc/37/00/29/404370029.db2.gz WSJABUBTCBGQRJ-ZFWWWQNUSA-N 2 1 304.438 2.442 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C2 ZINC000329540607 404370032 /nfs/dbraw/zinc/37/00/32/404370032.db2.gz WSJABUBTCBGQRJ-ZFWWWQNUSA-N 2 1 304.438 2.442 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357751054 404743071 /nfs/dbraw/zinc/74/30/71/404743071.db2.gz SQEFEJPLVIVAER-OAHLLOKOSA-N 2 1 310.486 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000491818710 406735494 /nfs/dbraw/zinc/73/54/94/406735494.db2.gz ZMZTYWFLJIYWJJ-INIZCTEOSA-N 2 1 321.852 2.014 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000491818710 406735500 /nfs/dbraw/zinc/73/55/00/406735500.db2.gz ZMZTYWFLJIYWJJ-INIZCTEOSA-N 2 1 321.852 2.014 20 30 DEEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC(C)(C)C)c2)CCO1 ZINC000264123807 225307329 /nfs/dbraw/zinc/30/73/29/225307329.db2.gz VSZNMFSAPZWZAW-AWEZNQCLSA-N 2 1 318.465 2.110 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC(C)(C)C)c2)CCO1 ZINC000264123807 225307331 /nfs/dbraw/zinc/30/73/31/225307331.db2.gz VSZNMFSAPZWZAW-AWEZNQCLSA-N 2 1 318.465 2.110 20 30 DEEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC000261965844 225260934 /nfs/dbraw/zinc/26/09/34/225260934.db2.gz BDXKHOBZILZQHV-QGZVFWFLSA-N 2 1 302.466 2.030 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877268 425754490 /nfs/dbraw/zinc/75/44/90/425754490.db2.gz HMXDOKYDBFUOPS-CRAIPNDOSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877271 425755415 /nfs/dbraw/zinc/75/54/15/425755415.db2.gz HMXDOKYDBFUOPS-QAPCUYQASA-N 2 1 305.466 2.208 20 30 DEEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119610851 332255935 /nfs/dbraw/zinc/25/59/35/332255935.db2.gz ROQRTRGYAOCNEF-IAGOWNOFSA-N 2 1 306.498 2.417 20 30 DEEDMP CN1CC[NH+]=C1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000261548122 341302718 /nfs/dbraw/zinc/30/27/18/341302718.db2.gz NAVFWUFWSPENJZ-QGZVFWFLSA-N 2 1 300.450 2.180 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1C ZINC001089060983 782142041 /nfs/dbraw/zinc/14/20/41/782142041.db2.gz QWMTUIZFMQOPSB-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060983 782142046 /nfs/dbraw/zinc/14/20/46/782142046.db2.gz QWMTUIZFMQOPSB-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001089060983 782142050 /nfs/dbraw/zinc/14/20/50/782142050.db2.gz QWMTUIZFMQOPSB-IXDOHACOSA-N 2 1 307.482 2.406 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262570079 528253769 /nfs/dbraw/zinc/25/37/69/528253769.db2.gz YWGADFHHKXBXFE-ZBFHGGJFSA-N 2 1 316.449 2.146 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001327540265 1148582502 /nfs/dbraw/zinc/58/25/02/1148582502.db2.gz IABIVJMWSQQUQR-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001368729788 1148622226 /nfs/dbraw/zinc/62/22/26/1148622226.db2.gz YHKXTNXSEVXZKT-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001026359917 625352109 /nfs/dbraw/zinc/35/21/09/625352109.db2.gz HCPPSCRZXQHEIA-GVDBMIGSSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000972648114 625403599 /nfs/dbraw/zinc/40/35/99/625403599.db2.gz FHZXQRMZZSVFCA-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C[NH+]=C(NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)NC1CC1 ZINC000186890381 625410973 /nfs/dbraw/zinc/41/09/73/625410973.db2.gz BKDTYAYHRUSKNE-QGZVFWFLSA-N 2 1 300.450 2.224 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458757 625451748 /nfs/dbraw/zinc/45/17/48/625451748.db2.gz CKDDRNJJYLFTCW-GOEBONIOSA-N 2 1 324.428 2.106 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156361 622597179 /nfs/dbraw/zinc/59/71/79/622597179.db2.gz RBAOHOADVQPCRN-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892880657 625684876 /nfs/dbraw/zinc/68/48/76/625684876.db2.gz DQNWDKQBUOPAJB-JKSUJKDBSA-N 2 1 312.429 2.250 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947474028 624642464 /nfs/dbraw/zinc/64/24/64/624642464.db2.gz PNAUATNSIWBNFU-ZFWWWQNUSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845750 624643068 /nfs/dbraw/zinc/64/30/68/624643068.db2.gz ZYFMWBSCPUEUJE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845750 624643070 /nfs/dbraw/zinc/64/30/70/624643070.db2.gz ZYFMWBSCPUEUJE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845750 624643072 /nfs/dbraw/zinc/64/30/72/624643072.db2.gz ZYFMWBSCPUEUJE-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[C@@H]1CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000934459027 624882320 /nfs/dbraw/zinc/88/23/20/624882320.db2.gz AWDAZCDLBYIGPE-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751020 625035720 /nfs/dbraw/zinc/03/57/20/625035720.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001024751020 625035729 /nfs/dbraw/zinc/03/57/29/625035729.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001024751020 625035739 /nfs/dbraw/zinc/03/57/39/625035739.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751020 625035748 /nfs/dbraw/zinc/03/57/48/625035748.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001024751020 625035758 /nfs/dbraw/zinc/03/57/58/625035758.db2.gz AYVFVSNVHCRSBC-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000972454369 625092973 /nfs/dbraw/zinc/09/29/73/625092973.db2.gz SKIYLEJBNKPLOI-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000972454369 625092976 /nfs/dbraw/zinc/09/29/76/625092976.db2.gz SKIYLEJBNKPLOI-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023372426 625243520 /nfs/dbraw/zinc/24/35/20/625243520.db2.gz SJEIHQGEYOAXGK-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023372426 625243529 /nfs/dbraw/zinc/24/35/29/625243529.db2.gz SJEIHQGEYOAXGK-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023372426 625243536 /nfs/dbraw/zinc/24/35/36/625243536.db2.gz SJEIHQGEYOAXGK-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402030 625254248 /nfs/dbraw/zinc/25/42/48/625254248.db2.gz DJMMQVGRNKAFEX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402030 625254251 /nfs/dbraw/zinc/25/42/51/625254251.db2.gz DJMMQVGRNKAFEX-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024446380 625771029 /nfs/dbraw/zinc/77/10/29/625771029.db2.gz CFNUBMAAIUVZCB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024446380 625771040 /nfs/dbraw/zinc/77/10/40/625771040.db2.gz CFNUBMAAIUVZCB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024446380 625771046 /nfs/dbraw/zinc/77/10/46/625771046.db2.gz CFNUBMAAIUVZCB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024477158 625803538 /nfs/dbraw/zinc/80/35/38/625803538.db2.gz KAGYKSVGKNXCNE-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024477156 625803605 /nfs/dbraw/zinc/80/36/05/625803605.db2.gz KAGYKSVGKNXCNE-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479229 625804617 /nfs/dbraw/zinc/80/46/17/625804617.db2.gz CPQCXLKZMQZMAQ-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479229 625804622 /nfs/dbraw/zinc/80/46/22/625804622.db2.gz CPQCXLKZMQZMAQ-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999346310 634567684 /nfs/dbraw/zinc/56/76/84/634567684.db2.gz DEKLDKMVXGDXTN-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999554197 634626167 /nfs/dbraw/zinc/62/61/67/634626167.db2.gz BXNYHTHWPMKPMM-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586853 633166244 /nfs/dbraw/zinc/16/62/44/633166244.db2.gz KQXWDVUGXIUEMJ-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670214 633215050 /nfs/dbraw/zinc/21/50/50/633215050.db2.gz HGTOSYTYDSCQOY-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670214 633215052 /nfs/dbraw/zinc/21/50/52/633215052.db2.gz HGTOSYTYDSCQOY-GJZGRUSLSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974729175 633269967 /nfs/dbraw/zinc/26/99/67/633269967.db2.gz HPRSCGZMWFZDPU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974729175 633269974 /nfs/dbraw/zinc/26/99/74/633269974.db2.gz HPRSCGZMWFZDPU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974729175 633269975 /nfs/dbraw/zinc/26/99/75/633269975.db2.gz HPRSCGZMWFZDPU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729175 633269984 /nfs/dbraw/zinc/26/99/84/633269984.db2.gz HPRSCGZMWFZDPU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729175 633269987 /nfs/dbraw/zinc/26/99/87/633269987.db2.gz HPRSCGZMWFZDPU-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2occc2CN(C)C)C(C)(C)C1 ZINC000974979321 633382429 /nfs/dbraw/zinc/38/24/29/633382429.db2.gz UWOKXGPZCLFONP-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979321 633382430 /nfs/dbraw/zinc/38/24/30/633382430.db2.gz UWOKXGPZCLFONP-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974979321 633382432 /nfs/dbraw/zinc/38/24/32/633382432.db2.gz UWOKXGPZCLFONP-HNNXBMFYSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408962 633748349 /nfs/dbraw/zinc/74/83/49/633748349.db2.gz APZNHJZEIDPWPK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408962 633748352 /nfs/dbraw/zinc/74/83/52/633748352.db2.gz APZNHJZEIDPWPK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027408962 633748357 /nfs/dbraw/zinc/74/83/57/633748357.db2.gz APZNHJZEIDPWPK-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027442152 633795325 /nfs/dbraw/zinc/79/53/25/633795325.db2.gz BRQODCFYGLBELI-CABCVRRESA-N 2 1 313.873 2.002 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473155 633855605 /nfs/dbraw/zinc/85/56/05/633855605.db2.gz GECMPMQGYOQGRR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473155 633855610 /nfs/dbraw/zinc/85/56/10/633855610.db2.gz GECMPMQGYOQGRR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473155 633855616 /nfs/dbraw/zinc/85/56/16/633855616.db2.gz GECMPMQGYOQGRR-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480886 633864951 /nfs/dbraw/zinc/86/49/51/633864951.db2.gz NAHANPKFCSBQSM-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977452189 633991654 /nfs/dbraw/zinc/99/16/54/633991654.db2.gz QZNHZOJDYGRGRB-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977452189 633991657 /nfs/dbraw/zinc/99/16/57/633991657.db2.gz QZNHZOJDYGRGRB-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452189 633991665 /nfs/dbraw/zinc/99/16/65/633991665.db2.gz QZNHZOJDYGRGRB-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452189 633991669 /nfs/dbraw/zinc/99/16/69/633991669.db2.gz QZNHZOJDYGRGRB-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977653265 634083009 /nfs/dbraw/zinc/08/30/09/634083009.db2.gz IIABYVNAMXTZDM-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998020079 634114562 /nfs/dbraw/zinc/11/45/62/634114562.db2.gz UPRAPAXTADHLCO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998020079 634114565 /nfs/dbraw/zinc/11/45/65/634114565.db2.gz UPRAPAXTADHLCO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998020079 634114569 /nfs/dbraw/zinc/11/45/69/634114569.db2.gz UPRAPAXTADHLCO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575650 634181051 /nfs/dbraw/zinc/18/10/51/634181051.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001027575650 634181057 /nfs/dbraw/zinc/18/10/57/634181057.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001027575650 634181063 /nfs/dbraw/zinc/18/10/63/634181063.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001027575650 634181073 /nfs/dbraw/zinc/18/10/73/634181073.db2.gz BTNJMJLYSFFNRD-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602069 634255750 /nfs/dbraw/zinc/25/57/50/634255750.db2.gz KRCCBLYJKWBQCF-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168303 634872740 /nfs/dbraw/zinc/87/27/40/634872740.db2.gz MNDVUCAHEOCUEV-ULQDDVLXSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168303 634872743 /nfs/dbraw/zinc/87/27/43/634872743.db2.gz MNDVUCAHEOCUEV-ULQDDVLXSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980168303 634872746 /nfs/dbraw/zinc/87/27/46/634872746.db2.gz MNDVUCAHEOCUEV-ULQDDVLXSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244788 634909248 /nfs/dbraw/zinc/90/92/48/634909248.db2.gz YXRBJMDHFWPJDC-RCCFBDPRSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333782 635145087 /nfs/dbraw/zinc/14/50/87/635145087.db2.gz SGBJCVZBPYCXMF-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000671473 635271954 /nfs/dbraw/zinc/27/19/54/635271954.db2.gz HIQFTLPYPQGKCC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001001007958 635377477 /nfs/dbraw/zinc/37/74/77/635377477.db2.gz UYJULASZJJCSLL-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911793 635574535 /nfs/dbraw/zinc/57/45/35/635574535.db2.gz PRYOKESHZOVFOX-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160215 635630104 /nfs/dbraw/zinc/63/01/04/635630104.db2.gz VGGSDKCPQNGWRY-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC000981841423 635683424 /nfs/dbraw/zinc/68/34/24/635683424.db2.gz BZAWXNOSCFCHMR-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981841423 635683427 /nfs/dbraw/zinc/68/34/27/635683427.db2.gz BZAWXNOSCFCHMR-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003142995 635915586 /nfs/dbraw/zinc/91/55/86/635915586.db2.gz FVMHNXHHEUDDFF-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235392 635936731 /nfs/dbraw/zinc/93/67/31/635936731.db2.gz WLWMTHKJAGIUNW-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947360498 635944145 /nfs/dbraw/zinc/94/41/45/635944145.db2.gz FWUKWEZDDRYJMT-ZFWWWQNUSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774536 636122545 /nfs/dbraw/zinc/12/25/45/636122545.db2.gz BAUBDLWHLMZFES-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594513 636464306 /nfs/dbraw/zinc/46/43/06/636464306.db2.gz HQLPNQVCWCLSNM-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594513 636464309 /nfs/dbraw/zinc/46/43/09/636464309.db2.gz HQLPNQVCWCLSNM-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594513 636464314 /nfs/dbraw/zinc/46/43/14/636464314.db2.gz HQLPNQVCWCLSNM-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004476675 636465129 /nfs/dbraw/zinc/46/51/29/636465129.db2.gz ZBXCDCQDDIDOOQ-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004476675 636465131 /nfs/dbraw/zinc/46/51/31/636465131.db2.gz ZBXCDCQDDIDOOQ-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc3nccn32)C1 ZINC001028687128 636625004 /nfs/dbraw/zinc/62/50/04/636625004.db2.gz HKNCLOGETSPSSW-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005590638 636791678 /nfs/dbraw/zinc/79/16/78/636791678.db2.gz BEECABHPZYKAKB-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921217 636854677 /nfs/dbraw/zinc/85/46/77/636854677.db2.gz NEIUBSMPTVZSED-QGZVFWFLSA-N 2 1 319.493 2.123 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354081 637134754 /nfs/dbraw/zinc/13/47/54/637134754.db2.gz QBPAUEVYPFLPGX-GOSISDBHSA-N 2 1 301.434 2.433 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985803119 639644763 /nfs/dbraw/zinc/64/47/63/639644763.db2.gz BPRXWVDHNUHMAJ-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000989456700 641052573 /nfs/dbraw/zinc/05/25/73/641052573.db2.gz CEFBXEAFYKHYHS-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989456700 641052576 /nfs/dbraw/zinc/05/25/76/641052576.db2.gz CEFBXEAFYKHYHS-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456700 641052579 /nfs/dbraw/zinc/05/25/79/641052579.db2.gz CEFBXEAFYKHYHS-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456700 641052580 /nfs/dbraw/zinc/05/25/80/641052580.db2.gz CEFBXEAFYKHYHS-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739778 641216467 /nfs/dbraw/zinc/21/64/67/641216467.db2.gz ZEODNURSYZOOAY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739778 641216469 /nfs/dbraw/zinc/21/64/69/641216469.db2.gz ZEODNURSYZOOAY-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990634119 641564335 /nfs/dbraw/zinc/56/43/35/641564335.db2.gz BGYNZYNERVFXPW-XYJFISCASA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990634119 641564338 /nfs/dbraw/zinc/56/43/38/641564338.db2.gz BGYNZYNERVFXPW-XYJFISCASA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990634119 641564342 /nfs/dbraw/zinc/56/43/42/641564342.db2.gz BGYNZYNERVFXPW-XYJFISCASA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946162 /nfs/dbraw/zinc/94/61/62/641946162.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946165 /nfs/dbraw/zinc/94/61/65/641946165.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990759596 641946167 /nfs/dbraw/zinc/94/61/67/641946167.db2.gz DQHUJRKLTSUDTL-UIBIWLFHSA-N 2 1 305.466 2.016 20 30 DEEDMP C[C@]1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCC[NH2+]C1 ZINC000904388395 643650381 /nfs/dbraw/zinc/65/03/81/643650381.db2.gz ILFDWZNLOXFZDV-WMZOPIPTSA-N 2 1 313.449 2.219 20 30 DEEDMP C[C@@H](C#N)OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000801952246 645469618 /nfs/dbraw/zinc/46/96/18/645469618.db2.gz QKAQGXVNPJZGRJ-AWEZNQCLSA-N 2 1 302.422 2.327 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991624467 646549006 /nfs/dbraw/zinc/54/90/06/646549006.db2.gz MVWDMMJIDRYLPD-IEBWSBKVSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805954 647746760 /nfs/dbraw/zinc/74/67/60/647746760.db2.gz NTQVHQZRTAYNAF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805954 647746763 /nfs/dbraw/zinc/74/67/63/647746763.db2.gz NTQVHQZRTAYNAF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993805954 647746768 /nfs/dbraw/zinc/74/67/68/647746768.db2.gz NTQVHQZRTAYNAF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@H+](C[C@H](O)CN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770543 648180704 /nfs/dbraw/zinc/18/07/04/648180704.db2.gz IEFFSTXPRGUDOA-MAUKXSAKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@@H+](C[C@H](O)CN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770543 648180705 /nfs/dbraw/zinc/18/07/05/648180705.db2.gz IEFFSTXPRGUDOA-MAUKXSAKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940785582 648941522 /nfs/dbraw/zinc/94/15/22/648941522.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785582 648941523 /nfs/dbraw/zinc/94/15/23/648941523.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940785582 648941525 /nfs/dbraw/zinc/94/15/25/648941525.db2.gz OIHWHURKPBQCJT-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257190 649192138 /nfs/dbraw/zinc/19/21/38/649192138.db2.gz KYQWVCIRAVEAFQ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290078 649359967 /nfs/dbraw/zinc/35/99/67/649359967.db2.gz UQYHKIBJABLPTF-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290078 649359971 /nfs/dbraw/zinc/35/99/71/649359971.db2.gz UQYHKIBJABLPTF-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP CCCCCCCCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000849000023 651577701 /nfs/dbraw/zinc/57/77/01/651577701.db2.gz HCDKTTNDZJFDHT-JKSUJKDBSA-N 2 1 310.486 2.324 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600904 651955016 /nfs/dbraw/zinc/95/50/16/651955016.db2.gz YTLCRPPGAIXMLV-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600904 651955021 /nfs/dbraw/zinc/95/50/21/651955021.db2.gz YTLCRPPGAIXMLV-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP CC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600904 651955025 /nfs/dbraw/zinc/95/50/25/651955025.db2.gz YTLCRPPGAIXMLV-SFHVURJKSA-N 2 1 301.434 2.398 20 30 DEEDMP C=CC[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536563 652564476 /nfs/dbraw/zinc/56/44/76/652564476.db2.gz DREISUGCDRNDHB-MAUKXSAKSA-N 2 1 319.449 2.149 20 30 DEEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)o1 ZINC000104191383 684058989 /nfs/dbraw/zinc/05/89/89/684058989.db2.gz PSDAFSWROYFQDV-OAHLLOKOSA-N 2 1 304.438 2.429 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153605 693865406 /nfs/dbraw/zinc/86/54/06/693865406.db2.gz UXZQHTQXCQCWAC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153605 693865407 /nfs/dbraw/zinc/86/54/07/693865407.db2.gz UXZQHTQXCQCWAC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153605 693865408 /nfs/dbraw/zinc/86/54/08/693865408.db2.gz UXZQHTQXCQCWAC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228561 693891061 /nfs/dbraw/zinc/89/10/61/693891061.db2.gz SWKXYUFTHNSBRB-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228561 693891066 /nfs/dbraw/zinc/89/10/66/693891066.db2.gz SWKXYUFTHNSBRB-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228561 693891073 /nfs/dbraw/zinc/89/10/73/693891073.db2.gz SWKXYUFTHNSBRB-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000303864929 685236802 /nfs/dbraw/zinc/23/68/02/685236802.db2.gz BISMQULUEUKINO-QGZVFWFLSA-N 2 1 302.466 2.254 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015797055 687425495 /nfs/dbraw/zinc/42/54/95/687425495.db2.gz WJEOPALBWUVIDS-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797055 687425498 /nfs/dbraw/zinc/42/54/98/687425498.db2.gz WJEOPALBWUVIDS-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797055 687425500 /nfs/dbraw/zinc/42/55/00/687425500.db2.gz WJEOPALBWUVIDS-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001015840112 687438706 /nfs/dbraw/zinc/43/87/06/687438706.db2.gz TUSFVUSLPRZJGB-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016319251 687590846 /nfs/dbraw/zinc/59/08/46/687590846.db2.gz ATAQLYACFWHTPF-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016613884 687664538 /nfs/dbraw/zinc/66/45/38/687664538.db2.gz HWTYLKWBUQGAOX-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651470 687674560 /nfs/dbraw/zinc/67/45/60/687674560.db2.gz IGLZKKIWMXQFNJ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651475 687674932 /nfs/dbraw/zinc/67/49/32/687674932.db2.gz IGLZKKIWMXQFNJ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016700109 687685386 /nfs/dbraw/zinc/68/53/86/687685386.db2.gz BQHNZRGRPIUVJA-SJORKVTESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001033125433 689397672 /nfs/dbraw/zinc/39/76/72/689397672.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125433 689397674 /nfs/dbraw/zinc/39/76/74/689397674.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001033125433 689397677 /nfs/dbraw/zinc/39/76/77/689397677.db2.gz DSBPMUADQVQTRN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223695 689430265 /nfs/dbraw/zinc/43/02/65/689430265.db2.gz TVTZVYYKIYRXCU-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223695 689430266 /nfs/dbraw/zinc/43/02/66/689430266.db2.gz TVTZVYYKIYRXCU-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223695 689430267 /nfs/dbraw/zinc/43/02/67/689430267.db2.gz TVTZVYYKIYRXCU-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033350445 689473122 /nfs/dbraw/zinc/47/31/22/689473122.db2.gz BFLQBULGZYDZGR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033350445 689473125 /nfs/dbraw/zinc/47/31/25/689473125.db2.gz BFLQBULGZYDZGR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033350445 689473127 /nfs/dbraw/zinc/47/31/27/689473127.db2.gz BFLQBULGZYDZGR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217034 689766287 /nfs/dbraw/zinc/76/62/87/689766287.db2.gz OHBFCMHFQQWKHK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217034 689766290 /nfs/dbraw/zinc/76/62/90/689766290.db2.gz OHBFCMHFQQWKHK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217034 689766291 /nfs/dbraw/zinc/76/62/91/689766291.db2.gz OHBFCMHFQQWKHK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034367192 689825370 /nfs/dbraw/zinc/82/53/70/689825370.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034367192 689825373 /nfs/dbraw/zinc/82/53/73/689825373.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034367192 689825377 /nfs/dbraw/zinc/82/53/77/689825377.db2.gz FJBBVANKOFMBOI-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034474995 689863779 /nfs/dbraw/zinc/86/37/79/689863779.db2.gz OMPSRAIHGWZDEG-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000876724705 689915918 /nfs/dbraw/zinc/91/59/18/689915918.db2.gz GKGDLYFYULXAKU-UONOGXRCSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000876765016 689930192 /nfs/dbraw/zinc/93/01/92/689930192.db2.gz YHVAAXMSWMOHTR-KGLIPLIRSA-N 2 1 315.889 2.473 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000876769665 689931943 /nfs/dbraw/zinc/93/19/43/689931943.db2.gz XGLYBJXVVKRWCA-JKSUJKDBSA-N 2 1 321.852 2.237 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877120434 690023007 /nfs/dbraw/zinc/02/30/07/690023007.db2.gz ROIMEEWMYHTDAW-CVEARBPZSA-N 2 1 321.852 2.095 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC2 ZINC001035195754 690056346 /nfs/dbraw/zinc/05/63/46/690056346.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 1 314.433 2.014 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC2 ZINC001035195754 690056347 /nfs/dbraw/zinc/05/63/47/690056347.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 1 314.433 2.014 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC2 ZINC001035195754 690056351 /nfs/dbraw/zinc/05/63/51/690056351.db2.gz IDPZCGBRNWWYPF-HUUCEWRRSA-N 2 1 314.433 2.014 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035709590 690157361 /nfs/dbraw/zinc/15/73/61/690157361.db2.gz ZNDVMXHAXXORGF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036832482 690492350 /nfs/dbraw/zinc/49/23/50/690492350.db2.gz CFXXDJUAVGOJIW-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246097 690755805 /nfs/dbraw/zinc/75/58/05/690755805.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246097 690755807 /nfs/dbraw/zinc/75/58/07/690755807.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246097 690755811 /nfs/dbraw/zinc/75/58/11/690755811.db2.gz BOPGUIASWQRGFG-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039140453 691031920 /nfs/dbraw/zinc/03/19/20/691031920.db2.gz VGTYGOBBBRZVAZ-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140453 691031922 /nfs/dbraw/zinc/03/19/22/691031922.db2.gz VGTYGOBBBRZVAZ-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039140453 691031924 /nfs/dbraw/zinc/03/19/24/691031924.db2.gz VGTYGOBBBRZVAZ-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173090 691039412 /nfs/dbraw/zinc/03/94/12/691039412.db2.gz NGGRZUQKWCMESR-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173090 691039415 /nfs/dbraw/zinc/03/94/15/691039415.db2.gz NGGRZUQKWCMESR-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173090 691039417 /nfs/dbraw/zinc/03/94/17/691039417.db2.gz NGGRZUQKWCMESR-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039298431 691076692 /nfs/dbraw/zinc/07/66/92/691076692.db2.gz WOSOGQNGFKSVNG-MGNMYUMUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039386398 691094786 /nfs/dbraw/zinc/09/47/86/691094786.db2.gz NCCZJHHEDYCMNV-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039386398 691094790 /nfs/dbraw/zinc/09/47/90/691094790.db2.gz NCCZJHHEDYCMNV-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039386398 691094791 /nfs/dbraw/zinc/09/47/91/691094791.db2.gz NCCZJHHEDYCMNV-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240153 691218282 /nfs/dbraw/zinc/21/82/82/691218282.db2.gz CHSYFRPJJNDATP-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492405 691255883 /nfs/dbraw/zinc/25/58/83/691255883.db2.gz AGOKTNLFFDEOHE-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492405 691255885 /nfs/dbraw/zinc/25/58/85/691255885.db2.gz AGOKTNLFFDEOHE-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492405 691255887 /nfs/dbraw/zinc/25/58/87/691255887.db2.gz AGOKTNLFFDEOHE-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040936979 691299822 /nfs/dbraw/zinc/29/98/22/691299822.db2.gz RZQVTMCIVRIZEY-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041301316 691357834 /nfs/dbraw/zinc/35/78/34/691357834.db2.gz LLUKPFOIIAITRI-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301316 691357837 /nfs/dbraw/zinc/35/78/37/691357837.db2.gz LLUKPFOIIAITRI-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041301316 691357842 /nfs/dbraw/zinc/35/78/42/691357842.db2.gz LLUKPFOIIAITRI-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408132 691372095 /nfs/dbraw/zinc/37/20/95/691372095.db2.gz KWZMMPBEFSQZPR-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408132 691372098 /nfs/dbraw/zinc/37/20/98/691372098.db2.gz KWZMMPBEFSQZPR-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408132 691372101 /nfs/dbraw/zinc/37/21/01/691372101.db2.gz KWZMMPBEFSQZPR-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723559 691417568 /nfs/dbraw/zinc/41/75/68/691417568.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723559 691417569 /nfs/dbraw/zinc/41/75/69/691417569.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723559 691417570 /nfs/dbraw/zinc/41/75/70/691417570.db2.gz IVSFNQNVZCNQDC-MJGOQNOKSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000883131091 691435836 /nfs/dbraw/zinc/43/58/36/691435836.db2.gz FVTJLTSKXFWXSZ-UHFFFAOYSA-N 2 1 314.408 2.271 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000883131091 691435838 /nfs/dbraw/zinc/43/58/38/691435838.db2.gz FVTJLTSKXFWXSZ-UHFFFAOYSA-N 2 1 314.408 2.271 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001042922919 691660711 /nfs/dbraw/zinc/66/07/11/691660711.db2.gz HHMUOTLZZFEDHZ-KRWDZBQOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001042922919 691660714 /nfs/dbraw/zinc/66/07/14/691660714.db2.gz HHMUOTLZZFEDHZ-KRWDZBQOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043072282 691672198 /nfs/dbraw/zinc/67/21/98/691672198.db2.gz FBQKJBOGSAGOJK-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043072282 691672201 /nfs/dbraw/zinc/67/22/01/691672201.db2.gz FBQKJBOGSAGOJK-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316757 692054151 /nfs/dbraw/zinc/05/41/51/692054151.db2.gz LWUBRPAXGQGWCN-RDJZCZTQSA-N 2 1 314.433 2.037 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966922 692064043 /nfs/dbraw/zinc/06/40/43/692064043.db2.gz JPLWJWJRAIPCDA-PKOBYXMFSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871145 692713737 /nfs/dbraw/zinc/71/37/37/692713737.db2.gz JOETZUXGOJSNBF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871145 692713740 /nfs/dbraw/zinc/71/37/40/692713740.db2.gz JOETZUXGOJSNBF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871145 692713742 /nfs/dbraw/zinc/71/37/42/692713742.db2.gz JOETZUXGOJSNBF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235797 692796489 /nfs/dbraw/zinc/79/64/89/692796489.db2.gz SCYLJAVXLGKWEO-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535235 692915420 /nfs/dbraw/zinc/91/54/20/692915420.db2.gz ZGXFRJNHUXBAJC-IKGGRYGDSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521063 693199674 /nfs/dbraw/zinc/19/96/74/693199674.db2.gz UCDLPWCPTFAXOD-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764966 693246178 /nfs/dbraw/zinc/24/61/78/693246178.db2.gz DVNUWCDOQVKLQR-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052446293 693537846 /nfs/dbraw/zinc/53/78/46/693537846.db2.gz YNNLKVBNIOHOJQ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446293 693537849 /nfs/dbraw/zinc/53/78/49/693537849.db2.gz YNNLKVBNIOHOJQ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446293 693537852 /nfs/dbraw/zinc/53/78/52/693537852.db2.gz YNNLKVBNIOHOJQ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487481 693546533 /nfs/dbraw/zinc/54/65/33/693546533.db2.gz YTZITECNYYGGPT-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052499343 693550383 /nfs/dbraw/zinc/55/03/83/693550383.db2.gz UBABXUXEUZVPGE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499343 693550386 /nfs/dbraw/zinc/55/03/86/693550386.db2.gz UBABXUXEUZVPGE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052499343 693550388 /nfs/dbraw/zinc/55/03/88/693550388.db2.gz UBABXUXEUZVPGE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001332711268 1149882977 /nfs/dbraw/zinc/88/29/77/1149882977.db2.gz PQERGMNDKKLKKW-UHFFFAOYSA-N 2 1 312.417 2.058 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001332810619 1149895041 /nfs/dbraw/zinc/89/50/41/1149895041.db2.gz TZWKUOAGJFRNLR-XHSDSOJGSA-N 2 1 309.498 2.413 20 30 DEEDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CC#N)CC3)cc2F)CC1 ZINC001344452824 1150823387 /nfs/dbraw/zinc/82/33/87/1150823387.db2.gz GAOHMGAOVYJGNJ-UHFFFAOYSA-N 2 1 316.424 2.361 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C[C@@H]2CCOC2)C1 ZINC001346082358 1150940013 /nfs/dbraw/zinc/94/00/13/1150940013.db2.gz YADOMBHVZGILSN-CVEARBPZSA-N 2 1 324.513 2.087 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001402646642 1162425194 /nfs/dbraw/zinc/42/51/94/1162425194.db2.gz VQVQJTXVNGVVKT-XHSDSOJGSA-N 2 1 321.852 2.279 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001351165814 1151481344 /nfs/dbraw/zinc/48/13/44/1151481344.db2.gz QJVIGZWQLWWEGT-NUJGCVRESA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402682173 1162441516 /nfs/dbraw/zinc/44/15/16/1162441516.db2.gz FZMDUJZHUZXVIC-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001381277533 1152979889 /nfs/dbraw/zinc/97/98/89/1152979889.db2.gz DHNHKXYVBNEYDJ-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001394414084 1158502099 /nfs/dbraw/zinc/50/20/99/1158502099.db2.gz WQDGROBSNNBYQO-LSDHHAIUSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001400861714 1161836723 /nfs/dbraw/zinc/83/67/23/1161836723.db2.gz XEWJYVSWXGBTDU-HUUCEWRRSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001404618476 1163754962 /nfs/dbraw/zinc/75/49/62/1163754962.db2.gz ALSCROQSILHIGS-HNNXBMFYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001420077929 1169144516 /nfs/dbraw/zinc/14/45/16/1169144516.db2.gz CKZUTEUDXAPONN-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266575 1175644428 /nfs/dbraw/zinc/64/44/28/1175644428.db2.gz HTXDCQQWNRPLMN-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266575 1175644432 /nfs/dbraw/zinc/64/44/32/1175644432.db2.gz HTXDCQQWNRPLMN-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001438699139 1180772152 /nfs/dbraw/zinc/77/21/52/1180772152.db2.gz YDEULYXWMYXCHV-LSDHHAIUSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001438771284 1180808343 /nfs/dbraw/zinc/80/83/43/1180808343.db2.gz PJJDFDWRATYUMZ-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001440732698 1181662449 /nfs/dbraw/zinc/66/24/49/1181662449.db2.gz GVTFNPIITVCBBG-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001440732698 1181662452 /nfs/dbraw/zinc/66/24/52/1181662452.db2.gz GVTFNPIITVCBBG-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001441034023 1181831759 /nfs/dbraw/zinc/83/17/59/1181831759.db2.gz KBCUHHBLNZLRJY-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442962388 1182812074 /nfs/dbraw/zinc/81/20/74/1182812074.db2.gz HVKDDXZTDXZTMT-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442962388 1182812077 /nfs/dbraw/zinc/81/20/77/1182812077.db2.gz HVKDDXZTDXZTMT-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001446960649 1184592373 /nfs/dbraw/zinc/59/23/73/1184592373.db2.gz YFTHYMGUESJNLA-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001332012956 1149808143 /nfs/dbraw/zinc/80/81/43/1149808143.db2.gz HHTSILRSBBYXEU-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099199767 782524432 /nfs/dbraw/zinc/52/44/32/782524432.db2.gz QVKGTSOVHWCVDT-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332398992 1149856968 /nfs/dbraw/zinc/85/69/68/1149856968.db2.gz QGRIKHTVTLCPSN-GOEBONIOSA-N 2 1 318.465 2.373 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229223 782731521 /nfs/dbraw/zinc/73/15/21/782731521.db2.gz HSDUSSNCDFQPKV-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001106748121 782915051 /nfs/dbraw/zinc/91/50/51/782915051.db2.gz KRZQGYOKRSZNBV-ARFHVFGLSA-N 2 1 318.465 2.239 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]cnc1C ZINC001099323972 783087866 /nfs/dbraw/zinc/08/78/66/783087866.db2.gz DISHXWSATCIFPS-HNNXBMFYSA-N 2 1 318.465 2.444 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559681 783205301 /nfs/dbraw/zinc/20/53/01/783205301.db2.gz RAWXBVCVSZWLFK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559681 783205307 /nfs/dbraw/zinc/20/53/07/783205307.db2.gz RAWXBVCVSZWLFK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559681 783205319 /nfs/dbraw/zinc/20/53/19/783205319.db2.gz RAWXBVCVSZWLFK-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727192 783215717 /nfs/dbraw/zinc/21/57/17/783215717.db2.gz WEEWWWMPJPHDDZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727192 783215726 /nfs/dbraw/zinc/21/57/26/783215726.db2.gz WEEWWWMPJPHDDZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947727192 783215732 /nfs/dbraw/zinc/21/57/32/783215732.db2.gz WEEWWWMPJPHDDZ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572560 779357280 /nfs/dbraw/zinc/35/72/80/779357280.db2.gz WRRYQTLPJYRFKY-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636354 779388506 /nfs/dbraw/zinc/38/85/06/779388506.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636354 779388509 /nfs/dbraw/zinc/38/85/09/779388509.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636354 779388515 /nfs/dbraw/zinc/38/85/15/779388515.db2.gz MJEGFLHFNMCVDP-BBWFWOEESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640817 779393207 /nfs/dbraw/zinc/39/32/07/779393207.db2.gz YMTUSOXGSQNEAB-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704938 779415546 /nfs/dbraw/zinc/41/55/46/779415546.db2.gz NXMCKFMFVXSQDG-LSDHHAIUSA-N 2 1 305.422 2.110 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704938 779415550 /nfs/dbraw/zinc/41/55/50/779415550.db2.gz NXMCKFMFVXSQDG-LSDHHAIUSA-N 2 1 305.422 2.110 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840654 779479428 /nfs/dbraw/zinc/47/94/28/779479428.db2.gz ICXCEBWBHCQLND-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840654 779479429 /nfs/dbraw/zinc/47/94/29/779479429.db2.gz ICXCEBWBHCQLND-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840654 779479434 /nfs/dbraw/zinc/47/94/34/779479434.db2.gz ICXCEBWBHCQLND-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212596 779775254 /nfs/dbraw/zinc/77/52/54/779775254.db2.gz BPYVODZQXQRLQU-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212596 779775262 /nfs/dbraw/zinc/77/52/62/779775262.db2.gz BPYVODZQXQRLQU-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985493926 779865668 /nfs/dbraw/zinc/86/56/68/779865668.db2.gz QQYSJNUTATWBRC-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001088317029 779941018 /nfs/dbraw/zinc/94/10/18/779941018.db2.gz PQIYOXVEODCFDA-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001212144681 781742342 /nfs/dbraw/zinc/74/23/42/781742342.db2.gz AUNMXDCXPFNGLY-ZDUSSCGKSA-N 2 1 314.393 2.171 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947882542 783254949 /nfs/dbraw/zinc/25/49/49/783254949.db2.gz UXEDDNKLAWNCLA-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001089652964 783323417 /nfs/dbraw/zinc/32/34/17/783323417.db2.gz MLCWLCISAPSVTR-RBSFLKMASA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001089652964 783323428 /nfs/dbraw/zinc/32/34/28/783323428.db2.gz MLCWLCISAPSVTR-RBSFLKMASA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948385898 783449021 /nfs/dbraw/zinc/44/90/21/783449021.db2.gz QVKOEWHGSJOFRX-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385898 783449028 /nfs/dbraw/zinc/44/90/28/783449028.db2.gz QVKOEWHGSJOFRX-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948385898 783449033 /nfs/dbraw/zinc/44/90/33/783449033.db2.gz QVKOEWHGSJOFRX-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529410 783552893 /nfs/dbraw/zinc/55/28/93/783552893.db2.gz PLHIPWBTKAPCRR-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092178 783880429 /nfs/dbraw/zinc/88/04/29/783880429.db2.gz WMENSYSLDFZOSA-GUYCJALGSA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686659 783965412 /nfs/dbraw/zinc/96/54/12/783965412.db2.gz YZFRBPQZJOELQJ-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001085826713 784112358 /nfs/dbraw/zinc/11/23/58/784112358.db2.gz VYBGXDDOKJKNPT-BZUAXINKSA-N 2 1 316.449 2.023 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001085987697 784284416 /nfs/dbraw/zinc/28/44/16/784284416.db2.gz JJQDRIWDBPMIKM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085987697 784284422 /nfs/dbraw/zinc/28/44/22/784284422.db2.gz JJQDRIWDBPMIKM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001085987697 784284429 /nfs/dbraw/zinc/28/44/29/784284429.db2.gz JJQDRIWDBPMIKM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377570 784337749 /nfs/dbraw/zinc/33/77/49/784337749.db2.gz JMKGIFCVLXLGII-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417832 784372960 /nfs/dbraw/zinc/37/29/60/784372960.db2.gz GVBMONNIXMCNIL-MAUKXSAKSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086133979 784429040 /nfs/dbraw/zinc/42/90/40/784429040.db2.gz MMVDKIURUHHPOQ-IXDOHACOSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516440 784438647 /nfs/dbraw/zinc/43/86/47/784438647.db2.gz AZAWMPSCSJMXFH-MAUKXSAKSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086175239 784465440 /nfs/dbraw/zinc/46/54/40/784465440.db2.gz MQQCUKNDQFTLBW-ZACQAIPSSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155611500 784577081 /nfs/dbraw/zinc/57/70/81/784577081.db2.gz GUCQIIQNYZUTNK-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882040 784635350 /nfs/dbraw/zinc/63/53/50/784635350.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882040 784635357 /nfs/dbraw/zinc/63/53/57/784635357.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882040 784635367 /nfs/dbraw/zinc/63/53/67/784635367.db2.gz FWNWMNIRZFYUHC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387850 784641469 /nfs/dbraw/zinc/64/14/69/784641469.db2.gz XQVBTNHAVUMSPL-BQFCYCMXSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968991002 784682790 /nfs/dbraw/zinc/68/27/90/784682790.db2.gz SZDOUNVJFCBLIP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991002 784682795 /nfs/dbraw/zinc/68/27/95/784682795.db2.gz SZDOUNVJFCBLIP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)C(C)C)CC1 ZINC001074103202 791055842 /nfs/dbraw/zinc/05/58/42/791055842.db2.gz YWNZVIOSEYWFLC-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001171237066 791082996 /nfs/dbraw/zinc/08/29/96/791082996.db2.gz OKNCCSBQZDTEFT-ZWKOTPCHSA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+](C1CC[NH+](CC)CC1)CC2 ZINC001169250578 785114749 /nfs/dbraw/zinc/11/47/49/785114749.db2.gz QCNFJMVHLJEEDU-UHFFFAOYSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108765906 785532732 /nfs/dbraw/zinc/53/27/32/785532732.db2.gz UKPPGOUPOQPDEV-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP N#Cc1ccc(CNc2[nH+]cccc2N2CC[NH2+]CC2)cc1F ZINC001170089611 786316432 /nfs/dbraw/zinc/31/64/32/786316432.db2.gz WYQSONYSKIZCLM-UHFFFAOYSA-N 2 1 311.364 2.114 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057537 786383968 /nfs/dbraw/zinc/38/39/68/786383968.db2.gz VSUJYLCCSXPLKR-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724329 786724923 /nfs/dbraw/zinc/72/49/23/786724923.db2.gz UHANWYRJCSJWQI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014724329 786724929 /nfs/dbraw/zinc/72/49/29/786724929.db2.gz UHANWYRJCSJWQI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014724329 786724935 /nfs/dbraw/zinc/72/49/35/786724935.db2.gz UHANWYRJCSJWQI-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815580 787756699 /nfs/dbraw/zinc/75/66/99/787756699.db2.gz KACDAJKONUNUCA-UHFFFAOYSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001097176978 788009083 /nfs/dbraw/zinc/00/90/83/788009083.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097176978 788009088 /nfs/dbraw/zinc/00/90/88/788009088.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097176978 788009096 /nfs/dbraw/zinc/00/90/96/788009096.db2.gz DRBMZIFQRMRIMW-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001097177395 788010058 /nfs/dbraw/zinc/01/00/58/788010058.db2.gz QFALRLUKMRUSPN-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097177395 788010068 /nfs/dbraw/zinc/01/00/68/788010068.db2.gz QFALRLUKMRUSPN-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097177395 788010076 /nfs/dbraw/zinc/01/00/76/788010076.db2.gz QFALRLUKMRUSPN-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548379 788125600 /nfs/dbraw/zinc/12/56/00/788125600.db2.gz CMPNQCCCMXWHOX-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123048 788288548 /nfs/dbraw/zinc/28/85/48/788288548.db2.gz XYZUPKQGHLBJRA-HOTGVXAUSA-N 2 1 309.498 2.225 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133866304 788647579 /nfs/dbraw/zinc/64/75/79/788647579.db2.gz KLMOCXGHZMWJEN-MRXNPFEDSA-N 2 1 320.481 2.430 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918491 788675724 /nfs/dbraw/zinc/67/57/24/788675724.db2.gz VPHKOHOOUVZGKG-QGZVFWFLSA-N 2 1 317.477 2.221 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126219 788774128 /nfs/dbraw/zinc/77/41/28/788774128.db2.gz FUILCJZCCZWSQS-MSOLQXFVSA-N 2 1 315.461 2.004 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629274 789826622 /nfs/dbraw/zinc/82/66/22/789826622.db2.gz XLSWBWFXIQBIQA-GDBMZVCRSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071930573 789977173 /nfs/dbraw/zinc/97/71/73/789977173.db2.gz HCCVLSLNVYMMHO-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707707 791345616 /nfs/dbraw/zinc/34/56/16/791345616.db2.gz YKBZLGQZDDXVIM-HOTGVXAUSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707707 791345623 /nfs/dbraw/zinc/34/56/23/791345623.db2.gz YKBZLGQZDDXVIM-HOTGVXAUSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098462815 791633933 /nfs/dbraw/zinc/63/39/33/791633933.db2.gz OWJGKGNQRRNEES-NXHRZFHOSA-N 2 1 313.445 2.269 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277660 791728400 /nfs/dbraw/zinc/72/84/00/791728400.db2.gz JZNINVPRXFCDBH-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148277660 791728407 /nfs/dbraw/zinc/72/84/07/791728407.db2.gz JZNINVPRXFCDBH-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001099027524 792044188 /nfs/dbraw/zinc/04/41/88/792044188.db2.gz MYCISGCUYGALEP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099027524 792044200 /nfs/dbraw/zinc/04/42/00/792044200.db2.gz MYCISGCUYGALEP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099027524 792044213 /nfs/dbraw/zinc/04/42/13/792044213.db2.gz MYCISGCUYGALEP-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110724 792100241 /nfs/dbraw/zinc/10/02/41/792100241.db2.gz HTXYPWIHTMDSAG-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676929 792109856 /nfs/dbraw/zinc/10/98/56/792109856.db2.gz QAUUBDFEZRLSAT-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676929 792109859 /nfs/dbraw/zinc/10/98/59/792109859.db2.gz QAUUBDFEZRLSAT-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676929 792109865 /nfs/dbraw/zinc/10/98/65/792109865.db2.gz QAUUBDFEZRLSAT-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400035 793145188 /nfs/dbraw/zinc/14/51/88/793145188.db2.gz DGMWPKFZUKEHFJ-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337743 793274434 /nfs/dbraw/zinc/27/44/34/793274434.db2.gz SBSXVWYVJRZFAN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061973 793491760 /nfs/dbraw/zinc/49/17/60/793491760.db2.gz PLFDVHBMEXOLKS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061973 793491763 /nfs/dbraw/zinc/49/17/63/793491763.db2.gz PLFDVHBMEXOLKS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061973 793491767 /nfs/dbraw/zinc/49/17/67/793491767.db2.gz PLFDVHBMEXOLKS-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103006281 793880144 /nfs/dbraw/zinc/88/01/44/793880144.db2.gz HEQLEUZKQIXXAM-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103006281 793880149 /nfs/dbraw/zinc/88/01/49/793880149.db2.gz HEQLEUZKQIXXAM-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103006281 793880164 /nfs/dbraw/zinc/88/01/64/793880164.db2.gz HEQLEUZKQIXXAM-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232454 793994405 /nfs/dbraw/zinc/99/44/05/793994405.db2.gz OYNTWELAQRESIX-HZPDHXFCSA-N 2 1 324.428 2.045 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295129 794169007 /nfs/dbraw/zinc/16/90/07/794169007.db2.gz BLNDGYCZZZJWIB-INIZCTEOSA-N 2 1 309.498 2.252 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103663614 794180911 /nfs/dbraw/zinc/18/09/11/794180911.db2.gz JZBQLTVTZOJSAZ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663614 794180914 /nfs/dbraw/zinc/18/09/14/794180914.db2.gz JZBQLTVTZOJSAZ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663614 794180923 /nfs/dbraw/zinc/18/09/23/794180923.db2.gz JZBQLTVTZOJSAZ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176758377 794498041 /nfs/dbraw/zinc/49/80/41/794498041.db2.gz AFBKELHQXVHICV-FUHWJXTLSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111938343 794531043 /nfs/dbraw/zinc/53/10/43/794531043.db2.gz XGBHFOPHMLCIKC-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938343 794531047 /nfs/dbraw/zinc/53/10/47/794531047.db2.gz XGBHFOPHMLCIKC-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938343 794531050 /nfs/dbraw/zinc/53/10/50/794531050.db2.gz XGBHFOPHMLCIKC-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410932 794627419 /nfs/dbraw/zinc/62/74/19/794627419.db2.gz XSZUJOUABGZFPO-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177415633 794665932 /nfs/dbraw/zinc/66/59/32/794665932.db2.gz GKWQRCZUNCHUIO-FUHWJXTLSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115254793 794714358 /nfs/dbraw/zinc/71/43/58/794714358.db2.gz QHLMCCGZFMHMMM-DZFIZOCASA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536627 794813878 /nfs/dbraw/zinc/81/38/78/794813878.db2.gz AIPVHGOJKGCJOD-DLBZAZTESA-N 2 1 319.493 2.456 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001178688509 794975973 /nfs/dbraw/zinc/97/59/73/794975973.db2.gz KRWGQKKZFCGOHY-SFHVURJKSA-N 2 1 321.509 2.254 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178693601 794977463 /nfs/dbraw/zinc/97/74/63/794977463.db2.gz XHIPCXIJRBCSPK-OAHLLOKOSA-N 2 1 304.438 2.213 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120402876 795453111 /nfs/dbraw/zinc/45/31/11/795453111.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402876 795453115 /nfs/dbraw/zinc/45/31/15/795453115.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402876 795453117 /nfs/dbraw/zinc/45/31/17/795453117.db2.gz SUIZCZYWNGWHJA-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256108 795839878 /nfs/dbraw/zinc/83/98/78/795839878.db2.gz SEDBUUJOCFXDCP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810124 796130352 /nfs/dbraw/zinc/13/03/52/796130352.db2.gz KUBWYLAQNLEZJY-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001137892943 796149658 /nfs/dbraw/zinc/14/96/58/796149658.db2.gz YMMMJFUMCMXZTA-UHFFFAOYSA-N 2 1 301.434 2.380 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185445159 796258379 /nfs/dbraw/zinc/25/83/79/796258379.db2.gz FFWOZRAVMUSERU-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185675989 796308280 /nfs/dbraw/zinc/30/82/80/796308280.db2.gz GEFMIXRUORCCQO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCOc1ccccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001139029842 796311778 /nfs/dbraw/zinc/31/17/78/796311778.db2.gz RJEPTAXSWUZODE-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213041 796676603 /nfs/dbraw/zinc/67/66/03/796676603.db2.gz DRSHLKYQIGPRHR-KRWDZBQOSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443945 796997623 /nfs/dbraw/zinc/99/76/23/796997623.db2.gz LXVYOJFMXAWWDC-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192019231 797306198 /nfs/dbraw/zinc/30/61/98/797306198.db2.gz VRSZPKOCFWELKD-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246273 797699826 /nfs/dbraw/zinc/69/98/26/797699826.db2.gz KGBKETPBZRCCTR-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865605 797977747 /nfs/dbraw/zinc/97/77/47/797977747.db2.gz MVIMOYAUEYDRHT-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865605 797977752 /nfs/dbraw/zinc/97/77/52/797977752.db2.gz MVIMOYAUEYDRHT-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865605 797977755 /nfs/dbraw/zinc/97/77/55/797977755.db2.gz MVIMOYAUEYDRHT-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295995 798037017 /nfs/dbraw/zinc/03/70/17/798037017.db2.gz WVYFACHTFXCKRQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001196295995 798037022 /nfs/dbraw/zinc/03/70/22/798037022.db2.gz WVYFACHTFXCKRQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001196295995 798037028 /nfs/dbraw/zinc/03/70/28/798037028.db2.gz WVYFACHTFXCKRQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197188288 798153737 /nfs/dbraw/zinc/15/37/37/798153737.db2.gz YDKIXAAGKFIXDN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188288 798153742 /nfs/dbraw/zinc/15/37/42/798153742.db2.gz YDKIXAAGKFIXDN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197188288 798153745 /nfs/dbraw/zinc/15/37/45/798153745.db2.gz YDKIXAAGKFIXDN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198258989 798306715 /nfs/dbraw/zinc/30/67/15/798306715.db2.gz IOGCAAZYMNTFBQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198258989 798306720 /nfs/dbraw/zinc/30/67/20/798306720.db2.gz IOGCAAZYMNTFBQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198258989 798306726 /nfs/dbraw/zinc/30/67/26/798306726.db2.gz IOGCAAZYMNTFBQ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157978409 798319480 /nfs/dbraw/zinc/31/94/80/798319480.db2.gz VOLZWIWKHDKECO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978409 798319487 /nfs/dbraw/zinc/31/94/87/798319487.db2.gz VOLZWIWKHDKECO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978409 798319494 /nfs/dbraw/zinc/31/94/94/798319494.db2.gz VOLZWIWKHDKECO-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646856 798443147 /nfs/dbraw/zinc/44/31/47/798443147.db2.gz WPYDEZOIXZUMEP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751601 798463157 /nfs/dbraw/zinc/46/31/57/798463157.db2.gz ZVCAKOXYSQWIEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751601 798463162 /nfs/dbraw/zinc/46/31/62/798463162.db2.gz ZVCAKOXYSQWIEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751601 798463164 /nfs/dbraw/zinc/46/31/64/798463164.db2.gz ZVCAKOXYSQWIEM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865909 798480753 /nfs/dbraw/zinc/48/07/53/798480753.db2.gz KJURZHGFCZTZGN-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158865909 798480757 /nfs/dbraw/zinc/48/07/57/798480757.db2.gz KJURZHGFCZTZGN-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158865909 798480761 /nfs/dbraw/zinc/48/07/61/798480761.db2.gz KJURZHGFCZTZGN-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158865909 798480764 /nfs/dbraw/zinc/48/07/64/798480764.db2.gz KJURZHGFCZTZGN-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160168903 798658127 /nfs/dbraw/zinc/65/81/27/798658127.db2.gz CPOPZXXSEUUKEV-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160168903 798658131 /nfs/dbraw/zinc/65/81/31/798658131.db2.gz CPOPZXXSEUUKEV-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160168903 798658134 /nfs/dbraw/zinc/65/81/34/798658134.db2.gz CPOPZXXSEUUKEV-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229651 798723461 /nfs/dbraw/zinc/72/34/61/798723461.db2.gz FHVGZRRHCHQXNH-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391500 798845664 /nfs/dbraw/zinc/84/56/64/798845664.db2.gz SIKBRKXJRSDTRZ-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161532125 798878040 /nfs/dbraw/zinc/87/80/40/798878040.db2.gz MLCXXXMZTNZAEH-UHFFFAOYSA-N 2 1 315.889 2.488 20 30 DEEDMP C[NH+](C)C1(CNc2cccc3[nH]c(C#N)cc32)CC[NH+](C)CC1 ZINC001164212765 799540651 /nfs/dbraw/zinc/54/06/51/799540651.db2.gz BRLVBGPBCQOIEL-UHFFFAOYSA-N 2 1 311.433 2.477 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531704 799650168 /nfs/dbraw/zinc/65/01/68/799650168.db2.gz OYPTVBPMZIWICW-UGUYLWEFSA-N 2 1 314.433 2.058 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531704 799650171 /nfs/dbraw/zinc/65/01/71/799650171.db2.gz OYPTVBPMZIWICW-UGUYLWEFSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165728833 799766572 /nfs/dbraw/zinc/76/65/72/799766572.db2.gz VOTGYUHRFQWWHO-HOTGVXAUSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421177 800044751 /nfs/dbraw/zinc/04/47/51/800044751.db2.gz ZNDHSIRLOLNYIJ-JKSUJKDBSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508300 800064659 /nfs/dbraw/zinc/06/46/59/800064659.db2.gz XKZDKLCXSHCYJT-SJORKVTESA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457807 800360045 /nfs/dbraw/zinc/36/00/45/800360045.db2.gz QPKVVAUMUQIVHX-SFHVURJKSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594428 800381886 /nfs/dbraw/zinc/38/18/86/800381886.db2.gz SFLWRZFXQOAGOF-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206003823 800456864 /nfs/dbraw/zinc/45/68/64/800456864.db2.gz MWWXTVGBENIMJF-OLZOCXBDSA-N 2 1 304.463 2.482 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206473986 800540092 /nfs/dbraw/zinc/54/00/92/800540092.db2.gz DRSXDEGVMVHWDY-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206547535 800552141 /nfs/dbraw/zinc/55/21/41/800552141.db2.gz HIQGHBLNDNKYRJ-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602144 800562656 /nfs/dbraw/zinc/56/26/56/800562656.db2.gz FNXRRWZCKCQAAZ-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207393530 800742901 /nfs/dbraw/zinc/74/29/01/800742901.db2.gz BRQMQTIFBHDDBO-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279212 800944947 /nfs/dbraw/zinc/94/49/47/800944947.db2.gz KSSZFRNZBZBCLT-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330942 800956633 /nfs/dbraw/zinc/95/66/33/800956633.db2.gz IBCACMNOLGCKGX-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001209161483 801140445 /nfs/dbraw/zinc/14/04/45/801140445.db2.gz LQVJNCKDBXPWFK-SQNIBIBYSA-N 2 1 317.481 2.418 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209161483 801140450 /nfs/dbraw/zinc/14/04/50/801140450.db2.gz LQVJNCKDBXPWFK-SQNIBIBYSA-N 2 1 317.481 2.418 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209161483 801140455 /nfs/dbraw/zinc/14/04/55/801140455.db2.gz LQVJNCKDBXPWFK-SQNIBIBYSA-N 2 1 317.481 2.418 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210181973 801347053 /nfs/dbraw/zinc/34/70/53/801347053.db2.gz HDUKCQGYZFPYLA-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001230354590 801392069 /nfs/dbraw/zinc/39/20/69/801392069.db2.gz GTSVJRUMIJQCIT-UHFFFAOYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001211221106 801532657 /nfs/dbraw/zinc/53/26/57/801532657.db2.gz BALBIXJCEABDHW-BRWVUGGUSA-N 2 1 322.497 2.077 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211257311 801537533 /nfs/dbraw/zinc/53/75/33/801537533.db2.gz QJOPJWYFIJBTST-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001233082492 802022695 /nfs/dbraw/zinc/02/26/95/802022695.db2.gz NUVDYGPEDKBDSF-UHFFFAOYSA-N 2 1 312.461 2.080 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940438 802627950 /nfs/dbraw/zinc/62/79/50/802627950.db2.gz FRCKQZIDEMDZPN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001221940438 802627953 /nfs/dbraw/zinc/62/79/53/802627953.db2.gz FRCKQZIDEMDZPN-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877018 803289989 /nfs/dbraw/zinc/28/99/89/803289989.db2.gz NHHQFTRMHOTYCX-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC001328099549 1148721142 /nfs/dbraw/zinc/72/11/42/1148721142.db2.gz WDRPUCWAJIJTIA-INIZCTEOSA-N 2 1 318.465 2.444 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC001368498307 1148468409 /nfs/dbraw/zinc/46/84/09/1148468409.db2.gz QCYKMDVLQQCRFX-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001368557341 1148494750 /nfs/dbraw/zinc/49/47/50/1148494750.db2.gz FVYFZMFCABQJSC-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001368557341 1148494757 /nfs/dbraw/zinc/49/47/57/1148494757.db2.gz FVYFZMFCABQJSC-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546614 1060173117 /nfs/dbraw/zinc/17/31/17/1060173117.db2.gz UVKCQHYTXTXCPM-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502809756 1060316182 /nfs/dbraw/zinc/31/61/82/1060316182.db2.gz MUZXBGIEDUBDRS-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502967170 1060408504 /nfs/dbraw/zinc/40/85/04/1060408504.db2.gz HLKYUXJHDSJLBW-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968404 1060408534 /nfs/dbraw/zinc/40/85/34/1060408534.db2.gz MAOMQEUBBAVXQO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474552456 1060894114 /nfs/dbraw/zinc/89/41/14/1060894114.db2.gz KJSVZKDSAIEVPG-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474552456 1060894121 /nfs/dbraw/zinc/89/41/21/1060894121.db2.gz KJSVZKDSAIEVPG-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552456 1060894132 /nfs/dbraw/zinc/89/41/32/1060894132.db2.gz KJSVZKDSAIEVPG-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552456 1060894146 /nfs/dbraw/zinc/89/41/46/1060894146.db2.gz KJSVZKDSAIEVPG-UYAOXDASSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001505781287 1060958044 /nfs/dbraw/zinc/95/80/44/1060958044.db2.gz ZGYMADXCOZCWDL-ABHNRTSZSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001479687380 1061597946 /nfs/dbraw/zinc/59/79/46/1061597946.db2.gz GARYNMJUSBPHDJ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001479969017 1062125247 /nfs/dbraw/zinc/12/52/47/1062125247.db2.gz REFAGGFVMSMULY-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507014921 1062676705 /nfs/dbraw/zinc/67/67/05/1062676705.db2.gz KKLJFBSMIZBGSS-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC=C ZINC001480351756 1062695905 /nfs/dbraw/zinc/69/59/05/1062695905.db2.gz OUVZUKQDNRVPRM-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC=C ZINC001480351756 1062695908 /nfs/dbraw/zinc/69/59/08/1062695908.db2.gz OUVZUKQDNRVPRM-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480361261 1062710583 /nfs/dbraw/zinc/71/05/83/1062710583.db2.gz JWPGDFBUKOSCGV-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001507124919 1062878334 /nfs/dbraw/zinc/87/83/34/1062878334.db2.gz FQSAZJRHLHOCJH-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507163264 1062938323 /nfs/dbraw/zinc/93/83/23/1062938323.db2.gz UBQOROSCJPOZMD-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507162228 1062939661 /nfs/dbraw/zinc/93/96/61/1062939661.db2.gz FJIBLGLUFWXWSF-HNNXBMFYSA-N 2 1 323.868 2.307 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507162228 1062939685 /nfs/dbraw/zinc/93/96/85/1062939685.db2.gz FJIBLGLUFWXWSF-HNNXBMFYSA-N 2 1 323.868 2.307 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001329141823 1148868523 /nfs/dbraw/zinc/86/85/23/1148868523.db2.gz MMSXNBDJYMTXKC-UHFFFAOYSA-N 2 1 312.417 2.127 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001508225448 1063616613 /nfs/dbraw/zinc/61/66/13/1063616613.db2.gz QJTHPFZUFMRQHS-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001493850106 1063991869 /nfs/dbraw/zinc/99/18/69/1063991869.db2.gz OPXBFUULXRQLFK-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001493858260 1063997218 /nfs/dbraw/zinc/99/72/18/1063997218.db2.gz BAULZUHUDKHYHQ-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567386915 1064175832 /nfs/dbraw/zinc/17/58/32/1064175832.db2.gz POYVLSVUJXXIAJ-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567663749 1064327997 /nfs/dbraw/zinc/32/79/97/1064327997.db2.gz ROXYETUGJNHMJH-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567703603 1064360777 /nfs/dbraw/zinc/36/07/77/1064360777.db2.gz WXFKZHMILUOSAS-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001568010117 1064593647 /nfs/dbraw/zinc/59/36/47/1064593647.db2.gz QRPUTLUSXNKHMB-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001568379727 1064823549 /nfs/dbraw/zinc/82/35/49/1064823549.db2.gz VKCQVXYULXAWOJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329173991 1148871611 /nfs/dbraw/zinc/87/16/11/1148871611.db2.gz ZTCWYADBPLOGJD-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C#CC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329173991 1148871612 /nfs/dbraw/zinc/87/16/12/1148871612.db2.gz ZTCWYADBPLOGJD-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001569135708 1065313029 /nfs/dbraw/zinc/31/30/29/1065313029.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135708 1065313030 /nfs/dbraw/zinc/31/30/30/1065313030.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135708 1065313045 /nfs/dbraw/zinc/31/30/45/1065313045.db2.gz ZUGVHNVLKUCEDJ-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001569175393 1065340797 /nfs/dbraw/zinc/34/07/97/1065340797.db2.gz QNJCPYRNLZPFBK-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001569247392 1065393471 /nfs/dbraw/zinc/39/34/71/1065393471.db2.gz NOUDERPQNGYIPI-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001496448385 1065477465 /nfs/dbraw/zinc/47/74/65/1065477465.db2.gz HRPOPVUJHVSWBH-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569672288 1065664202 /nfs/dbraw/zinc/66/42/02/1065664202.db2.gz FOQIPYBLEPNVMP-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001496861905 1065762841 /nfs/dbraw/zinc/76/28/41/1065762841.db2.gz VBILBAYUTGIUJK-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001496861905 1065762848 /nfs/dbraw/zinc/76/28/48/1065762848.db2.gz VBILBAYUTGIUJK-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001625757479 1078251158 /nfs/dbraw/zinc/25/11/58/1078251158.db2.gz OFNAPAAKLMBEQA-GOSISDBHSA-N 2 1 317.477 2.377 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569984151 1065860101 /nfs/dbraw/zinc/86/01/01/1065860101.db2.gz QGPVDDIVDIRXRP-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001570504615 1066098235 /nfs/dbraw/zinc/09/82/35/1066098235.db2.gz NFJDBLPVWLGTIJ-UHFFFAOYSA-N 2 1 318.465 2.434 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001632827266 1078392064 /nfs/dbraw/zinc/39/20/64/1078392064.db2.gz VMICTVKHAZQITK-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498487418 1066740294 /nfs/dbraw/zinc/74/02/94/1066740294.db2.gz GHZLBVZGOYYHDQ-DLBZAZTESA-N 2 1 321.509 2.252 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001498770662 1066876989 /nfs/dbraw/zinc/87/69/89/1066876989.db2.gz PSMUKXCCLKVNFL-DLBZAZTESA-N 2 1 305.466 2.064 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001499511652 1067241463 /nfs/dbraw/zinc/24/14/63/1067241463.db2.gz JWEHKAKVNBHZJV-FGTMMUONSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001483438074 1078531363 /nfs/dbraw/zinc/53/13/63/1078531363.db2.gz JWFDNBMZUMCVDM-IAGOWNOFSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267163861 1078628177 /nfs/dbraw/zinc/62/81/77/1078628177.db2.gz BGOFYHFUWSDXRN-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163861 1078628181 /nfs/dbraw/zinc/62/81/81/1078628181.db2.gz BGOFYHFUWSDXRN-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163861 1078628184 /nfs/dbraw/zinc/62/81/84/1078628184.db2.gz BGOFYHFUWSDXRN-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001570553566 1068000744 /nfs/dbraw/zinc/00/07/44/1068000744.db2.gz UHKJLUWNQUKVHW-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001640015723 1078637858 /nfs/dbraw/zinc/63/78/58/1078637858.db2.gz HRAGKLAGCSUNFY-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001640015723 1078637860 /nfs/dbraw/zinc/63/78/60/1078637860.db2.gz HRAGKLAGCSUNFY-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267169299 1078634501 /nfs/dbraw/zinc/63/45/01/1078634501.db2.gz MWOWUPOMXAKAAL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267169299 1078634505 /nfs/dbraw/zinc/63/45/05/1078634505.db2.gz MWOWUPOMXAKAAL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267169299 1078634509 /nfs/dbraw/zinc/63/45/09/1078634509.db2.gz MWOWUPOMXAKAAL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001570834711 1068133268 /nfs/dbraw/zinc/13/32/68/1068133268.db2.gz HGCVBLWOXIZWFX-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001570932120 1068162682 /nfs/dbraw/zinc/16/26/82/1068162682.db2.gz PCAHPFZOIFTQCN-TVFCKZIOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001570932120 1068162687 /nfs/dbraw/zinc/16/26/87/1068162687.db2.gz PCAHPFZOIFTQCN-TVFCKZIOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001570932120 1068162690 /nfs/dbraw/zinc/16/26/90/1068162690.db2.gz PCAHPFZOIFTQCN-TVFCKZIOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001571469970 1068321190 /nfs/dbraw/zinc/32/11/90/1068321190.db2.gz XIOIHQMMEMMARP-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001571469970 1068321196 /nfs/dbraw/zinc/32/11/96/1068321196.db2.gz XIOIHQMMEMMARP-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001571513489 1068372313 /nfs/dbraw/zinc/37/23/13/1068372313.db2.gz SNOKRALEGRDRBR-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001267279422 1078725066 /nfs/dbraw/zinc/72/50/66/1078725066.db2.gz FHDOIMXGYWGQLU-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267282211 1078728782 /nfs/dbraw/zinc/72/87/82/1078728782.db2.gz BUBGFRDZTIATCP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325101 1078765235 /nfs/dbraw/zinc/76/52/35/1078765235.db2.gz CEVFDIMRKWTHSJ-YJBOKZPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483668184 1078766783 /nfs/dbraw/zinc/76/67/83/1078766783.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001483668184 1078766786 /nfs/dbraw/zinc/76/67/86/1078766786.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001483668184 1078766791 /nfs/dbraw/zinc/76/67/91/1078766791.db2.gz SPCPRUYRWIJWIV-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698693 1078818884 /nfs/dbraw/zinc/81/88/84/1078818884.db2.gz UNXWIDPFFRXESC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267466866 1078879669 /nfs/dbraw/zinc/87/96/69/1078879669.db2.gz SEZISVNFBJYENC-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267466866 1078879675 /nfs/dbraw/zinc/87/96/75/1078879675.db2.gz SEZISVNFBJYENC-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267466866 1078879681 /nfs/dbraw/zinc/87/96/81/1078879681.db2.gz SEZISVNFBJYENC-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001483787854 1079122062 /nfs/dbraw/zinc/12/20/62/1079122062.db2.gz YCSYGBRLBLMAFJ-RDJZCZTQSA-N 2 1 305.466 2.065 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001483932847 1079193745 /nfs/dbraw/zinc/19/37/45/1079193745.db2.gz RTPIUCAVFFIJEF-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001483945166 1079201833 /nfs/dbraw/zinc/20/18/33/1079201833.db2.gz PHGLQIARUHITLK-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001565872231 1075060922 /nfs/dbraw/zinc/06/09/22/1075060922.db2.gz JNLSEEUTQJXTER-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001565856075 1075198321 /nfs/dbraw/zinc/19/83/21/1075198321.db2.gz DAHOTRISTFENAE-BPQIPLTHSA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601057 1075293725 /nfs/dbraw/zinc/29/37/25/1075293725.db2.gz VIFSBCXYYOFHFJ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001566711791 1075324072 /nfs/dbraw/zinc/32/40/72/1075324072.db2.gz VEVKADNKNLIMLW-ZWKOTPCHSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001566800909 1075348094 /nfs/dbraw/zinc/34/80/94/1075348094.db2.gz KOJBJOCGNLAWTR-BQFCYCMXSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001566841861 1075358357 /nfs/dbraw/zinc/35/83/57/1075358357.db2.gz IJZTWRONWMDSMF-WCXIOVBPSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267790346 1079496990 /nfs/dbraw/zinc/49/69/90/1079496990.db2.gz MGPPYERITHVLCY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001267844633 1079535738 /nfs/dbraw/zinc/53/57/38/1079535738.db2.gz UJEDGWCGPNIEJC-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP C#CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CCC)CCCC[C@H]1C ZINC001267873798 1079560253 /nfs/dbraw/zinc/56/02/53/1079560253.db2.gz LTOHRASKNJOXHX-SJLPKXTDSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001484561848 1079661760 /nfs/dbraw/zinc/66/17/60/1079661760.db2.gz RKLPRUMWPZTYFW-MAUKXSAKSA-N 2 1 313.445 2.071 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001481510582 1079973022 /nfs/dbraw/zinc/97/30/22/1079973022.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481510582 1079973029 /nfs/dbraw/zinc/97/30/29/1079973029.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481510582 1079973033 /nfs/dbraw/zinc/97/30/33/1079973033.db2.gz YZYOTECHKBCPSK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304548 1080141242 /nfs/dbraw/zinc/14/12/42/1080141242.db2.gz XOYMRNGIQQWPSS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485304548 1080141245 /nfs/dbraw/zinc/14/12/45/1080141245.db2.gz XOYMRNGIQQWPSS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485304548 1080141247 /nfs/dbraw/zinc/14/12/47/1080141247.db2.gz XOYMRNGIQQWPSS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485322610 1080149466 /nfs/dbraw/zinc/14/94/66/1080149466.db2.gz NGJINQBMELPASD-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001485322610 1080149470 /nfs/dbraw/zinc/14/94/70/1080149470.db2.gz NGJINQBMELPASD-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001485322610 1080149474 /nfs/dbraw/zinc/14/94/74/1080149474.db2.gz NGJINQBMELPASD-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001657106666 1080157828 /nfs/dbraw/zinc/15/78/28/1080157828.db2.gz ZGWMARDJNZHXTO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001657106666 1080157830 /nfs/dbraw/zinc/15/78/30/1080157830.db2.gz ZGWMARDJNZHXTO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001657106666 1080157832 /nfs/dbraw/zinc/15/78/32/1080157832.db2.gz ZGWMARDJNZHXTO-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001485458772 1080227775 /nfs/dbraw/zinc/22/77/75/1080227775.db2.gz PDRXZHQHHALIRM-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481694269 1080306700 /nfs/dbraw/zinc/30/67/00/1080306700.db2.gz BIGRSTJETUJVDQ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001485658441 1080350999 /nfs/dbraw/zinc/35/09/99/1080350999.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001485658441 1080351004 /nfs/dbraw/zinc/35/10/04/1080351004.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001485658441 1080351009 /nfs/dbraw/zinc/35/10/09/1080351009.db2.gz VGSUCCZDRJIQAE-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660822043 1080402757 /nfs/dbraw/zinc/40/27/57/1080402757.db2.gz BQHAPMXMUCCUFW-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660822043 1080402765 /nfs/dbraw/zinc/40/27/65/1080402765.db2.gz BQHAPMXMUCCUFW-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481735684 1080407008 /nfs/dbraw/zinc/40/70/08/1080407008.db2.gz QGUJINRYICBSIY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481735684 1080407012 /nfs/dbraw/zinc/40/70/12/1080407012.db2.gz QGUJINRYICBSIY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481735684 1080407016 /nfs/dbraw/zinc/40/70/16/1080407016.db2.gz QGUJINRYICBSIY-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001661236039 1080462248 /nfs/dbraw/zinc/46/22/48/1080462248.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661236039 1080462251 /nfs/dbraw/zinc/46/22/51/1080462251.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001661236039 1080462254 /nfs/dbraw/zinc/46/22/54/1080462254.db2.gz SCLYJKFRMZSWSP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001661740385 1080516575 /nfs/dbraw/zinc/51/65/75/1080516575.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661740385 1080516581 /nfs/dbraw/zinc/51/65/81/1080516581.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001661740385 1080516588 /nfs/dbraw/zinc/51/65/88/1080516588.db2.gz ZGILHHAUDJMUOB-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872728 1080671133 /nfs/dbraw/zinc/67/11/33/1080671133.db2.gz RUGVVNBXWFOQMH-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662872728 1080671136 /nfs/dbraw/zinc/67/11/36/1080671136.db2.gz RUGVVNBXWFOQMH-DOTOQJQBSA-N 2 1 318.465 2.469 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481990619 1080674599 /nfs/dbraw/zinc/67/45/99/1080674599.db2.gz BXBYHCOGLPKIGG-KRWDZBQOSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761103 1080813529 /nfs/dbraw/zinc/81/35/29/1080813529.db2.gz HXPLAMJRJQMDCF-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001663761103 1080813533 /nfs/dbraw/zinc/81/35/33/1080813533.db2.gz HXPLAMJRJQMDCF-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001663761103 1080813538 /nfs/dbraw/zinc/81/35/38/1080813538.db2.gz HXPLAMJRJQMDCF-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761105 1080813614 /nfs/dbraw/zinc/81/36/14/1080813614.db2.gz HXPLAMJRJQMDCF-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001663761105 1080813619 /nfs/dbraw/zinc/81/36/19/1080813619.db2.gz HXPLAMJRJQMDCF-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001663761105 1080813621 /nfs/dbraw/zinc/81/36/21/1080813621.db2.gz HXPLAMJRJQMDCF-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755813 1080955717 /nfs/dbraw/zinc/95/57/17/1080955717.db2.gz YTNRNLWHXRIHII-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001664982556 1080982153 /nfs/dbraw/zinc/98/21/53/1080982153.db2.gz QJMQWYZNWYYIRG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001664982556 1080982160 /nfs/dbraw/zinc/98/21/60/1080982160.db2.gz QJMQWYZNWYYIRG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001664982556 1080982164 /nfs/dbraw/zinc/98/21/64/1080982164.db2.gz QJMQWYZNWYYIRG-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCCCCC ZINC001268974577 1081071850 /nfs/dbraw/zinc/07/18/50/1081071850.db2.gz WNOJALOYAMSRCF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCCCCC ZINC001268974577 1081071854 /nfs/dbraw/zinc/07/18/54/1081071854.db2.gz WNOJALOYAMSRCF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCCCCC ZINC001268974577 1081071856 /nfs/dbraw/zinc/07/18/56/1081071856.db2.gz WNOJALOYAMSRCF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCCCCC ZINC001268974577 1081071859 /nfs/dbraw/zinc/07/18/59/1081071859.db2.gz WNOJALOYAMSRCF-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001665833227 1081087818 /nfs/dbraw/zinc/08/78/18/1081087818.db2.gz FHYSXDHKKCDWFS-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001665940257 1081100823 /nfs/dbraw/zinc/10/08/23/1081100823.db2.gz PBMNTVZFJDHRCS-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001666256063 1081137187 /nfs/dbraw/zinc/13/71/87/1081137187.db2.gz AJCHQDMGUACZNT-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001666364053 1081148053 /nfs/dbraw/zinc/14/80/53/1081148053.db2.gz DMYHOJBMMSSCAI-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666619628 1081167589 /nfs/dbraw/zinc/16/75/89/1081167589.db2.gz HJZQAYZMQZCNLF-YOEHRIQHSA-N 2 1 313.461 2.117 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001269326913 1081213791 /nfs/dbraw/zinc/21/37/91/1081213791.db2.gz OWBZEHDNOXKCSY-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001667421011 1081249936 /nfs/dbraw/zinc/24/99/36/1081249936.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001667421011 1081249929 /nfs/dbraw/zinc/24/99/29/1081249929.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001667421011 1081249940 /nfs/dbraw/zinc/24/99/40/1081249940.db2.gz JCOSDFOOWARYRJ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001667695093 1081274900 /nfs/dbraw/zinc/27/49/00/1081274900.db2.gz UUPGJQMJZVRROJ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000950616637 1081379046 /nfs/dbraw/zinc/37/90/46/1081379046.db2.gz UPEHEFKLLJZRMR-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000950616637 1081379053 /nfs/dbraw/zinc/37/90/53/1081379053.db2.gz UPEHEFKLLJZRMR-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001668883880 1081406899 /nfs/dbraw/zinc/40/68/99/1081406899.db2.gz VARPHMZPJHRGNS-YHLLGKTKSA-N 2 1 305.466 2.232 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001270024773 1081430192 /nfs/dbraw/zinc/43/01/92/1081430192.db2.gz JVVMDKXEVTYINX-XLAORIBOSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001669312931 1081445146 /nfs/dbraw/zinc/44/51/46/1081445146.db2.gz JSRNGYOFWPTDSQ-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)CCC=C ZINC001270222150 1081477195 /nfs/dbraw/zinc/47/71/95/1081477195.db2.gz QKHNUUQEMPAUGB-KURKYZTESA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)CCC=C ZINC001270222150 1081477198 /nfs/dbraw/zinc/47/71/98/1081477198.db2.gz QKHNUUQEMPAUGB-KURKYZTESA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001672430294 1081597617 /nfs/dbraw/zinc/59/76/17/1081597617.db2.gz SWACADVSRDPPOD-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001270749651 1081622404 /nfs/dbraw/zinc/62/24/04/1081622404.db2.gz RAMLATMNBUTWMZ-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444507 1081714304 /nfs/dbraw/zinc/71/43/04/1081714304.db2.gz UKRPIEYMFGWDNJ-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC000952444507 1081714308 /nfs/dbraw/zinc/71/43/08/1081714308.db2.gz UKRPIEYMFGWDNJ-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444507 1081714315 /nfs/dbraw/zinc/71/43/15/1081714315.db2.gz UKRPIEYMFGWDNJ-DOTOQJQBSA-N 2 1 305.466 2.112 20 30 DEEDMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001672929253 1081722932 /nfs/dbraw/zinc/72/29/32/1081722932.db2.gz CVOWPASJLGBEGB-SFHVURJKSA-N 2 1 315.461 2.098 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001270812454 1081724865 /nfs/dbraw/zinc/72/48/65/1081724865.db2.gz CPTAEUKJXQEZLK-SFHVURJKSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496170 1081776810 /nfs/dbraw/zinc/77/68/10/1081776810.db2.gz HXHOKUJMRFQWGS-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271006936 1081873387 /nfs/dbraw/zinc/87/33/87/1081873387.db2.gz FCGVFWPURBTVLR-IBGZPJMESA-N 2 1 319.493 2.104 20 30 DEEDMP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001674542592 1081888647 /nfs/dbraw/zinc/88/86/47/1081888647.db2.gz XKKXKKYXFVUCNU-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266463874 1082054092 /nfs/dbraw/zinc/05/40/92/1082054092.db2.gz QJBPOJAEOSMENU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266466393 1082055073 /nfs/dbraw/zinc/05/50/73/1082055073.db2.gz NYMUGPZSJHDMCH-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001670490314 1082151637 /nfs/dbraw/zinc/15/16/37/1082151637.db2.gz JBUIZFKRNBMMFZ-INIZCTEOSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001272016632 1082271568 /nfs/dbraw/zinc/27/15/68/1082271568.db2.gz SRLLIGOTUXXXJB-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001272016632 1082271573 /nfs/dbraw/zinc/27/15/73/1082271573.db2.gz SRLLIGOTUXXXJB-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001272016632 1082271578 /nfs/dbraw/zinc/27/15/78/1082271578.db2.gz SRLLIGOTUXXXJB-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482833166 1082524308 /nfs/dbraw/zinc/52/43/08/1082524308.db2.gz ZEMFCLYFZJBLBU-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483011544 1082623761 /nfs/dbraw/zinc/62/37/61/1082623761.db2.gz QJARARRVBDNMRN-ZPUOCTKUSA-N 2 1 319.493 2.479 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520826 1083456768 /nfs/dbraw/zinc/45/67/68/1083456768.db2.gz FYIYEMKIXVCOJT-SJLPKXTDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634080 1083543382 /nfs/dbraw/zinc/54/33/82/1083543382.db2.gz JFBXVROJABHNRT-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634080 1083543388 /nfs/dbraw/zinc/54/33/88/1083543388.db2.gz JFBXVROJABHNRT-SJLPKXTDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001276839595 1083640554 /nfs/dbraw/zinc/64/05/54/1083640554.db2.gz KQEMCDAZUDDWKU-RCCFBDPRSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001670919467 1084144061 /nfs/dbraw/zinc/14/40/61/1084144061.db2.gz ULYGGTPCLBFJPM-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001670989389 1084187422 /nfs/dbraw/zinc/18/74/22/1084187422.db2.gz SITWGOZBQCOSCK-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297739 1084216276 /nfs/dbraw/zinc/21/62/76/1084216276.db2.gz JAYADEJDABIJLH-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297739 1084216287 /nfs/dbraw/zinc/21/62/87/1084216287.db2.gz JAYADEJDABIJLH-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCN(CC[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C(=O)OCC ZINC001235153433 1084330942 /nfs/dbraw/zinc/33/09/42/1084330942.db2.gz SDWUHYWWAHVYFB-QGZVFWFLSA-N 2 1 323.481 2.485 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235339812 1084397034 /nfs/dbraw/zinc/39/70/34/1084397034.db2.gz YXZXEVGXDSNLLJ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001235339812 1084397046 /nfs/dbraw/zinc/39/70/46/1084397046.db2.gz YXZXEVGXDSNLLJ-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870611 1084400081 /nfs/dbraw/zinc/40/00/81/1084400081.db2.gz RJRWDUORTBXCIQ-LJQANCHMSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964185167 1085172850 /nfs/dbraw/zinc/17/28/50/1085172850.db2.gz MBZZLMZSSWKVFX-GTPINHCMSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001486521047 1085404507 /nfs/dbraw/zinc/40/45/07/1085404507.db2.gz NIDSLNNUIXLIOZ-HZPDHXFCSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961956510 1085920056 /nfs/dbraw/zinc/92/00/56/1085920056.db2.gz JAFRXGXOJILUKB-BDXSIMOUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101206 1086179193 /nfs/dbraw/zinc/17/91/93/1086179193.db2.gz PPGREKNFRKEQKC-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315768 1086405343 /nfs/dbraw/zinc/40/53/43/1086405343.db2.gz YMKRXIRCSFUKBP-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963319155 1086407114 /nfs/dbraw/zinc/40/71/14/1086407114.db2.gz IVEWCCPPFUUPLG-JCYILVPMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419914 1086449557 /nfs/dbraw/zinc/44/95/57/1086449557.db2.gz WMOXVSTXXQCUTH-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419914 1086449562 /nfs/dbraw/zinc/44/95/62/1086449562.db2.gz WMOXVSTXXQCUTH-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644957 1088493081 /nfs/dbraw/zinc/49/30/81/1088493081.db2.gz PTROZDAYLMWUMH-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011878 1088562982 /nfs/dbraw/zinc/56/29/82/1088562982.db2.gz KWJCTDOILJXETC-CXAGYDPISA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001080998156 1089285548 /nfs/dbraw/zinc/28/55/48/1089285548.db2.gz VGDJVWHADKIHTR-YUELXQCFSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082570214 1090008399 /nfs/dbraw/zinc/00/83/99/1090008399.db2.gz CBIXCKUYKNOMBA-VHDGCEQUSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084339893 1090271689 /nfs/dbraw/zinc/27/16/89/1090271689.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084339893 1090271697 /nfs/dbraw/zinc/27/16/97/1090271697.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084339893 1090271705 /nfs/dbraw/zinc/27/17/05/1090271705.db2.gz MLELFLUIPHQONU-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000949460162 1092153908 /nfs/dbraw/zinc/15/39/08/1092153908.db2.gz FRQIUXJFYAAQNN-UHFFFAOYSA-N 2 1 315.461 2.125 20 30 DEEDMP C#CCCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001275975533 1092414970 /nfs/dbraw/zinc/41/49/70/1092414970.db2.gz IKDDOGPZJWDZOK-UHFFFAOYSA-N 2 1 314.477 2.475 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001489238846 1093000217 /nfs/dbraw/zinc/00/02/17/1093000217.db2.gz PSFRFUJLMJHPRY-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001489309119 1093011437 /nfs/dbraw/zinc/01/14/37/1093011437.db2.gz KEPZZLNDAIZUGO-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001489309119 1093011441 /nfs/dbraw/zinc/01/14/41/1093011441.db2.gz KEPZZLNDAIZUGO-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001489309119 1093011447 /nfs/dbraw/zinc/01/14/47/1093011447.db2.gz KEPZZLNDAIZUGO-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001495320229 1093159356 /nfs/dbraw/zinc/15/93/56/1093159356.db2.gz JOSUHCSDIJESOL-LPHOPBHVSA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111332 1093803130 /nfs/dbraw/zinc/80/31/30/1093803130.db2.gz WCLLQRGFGZMUAJ-GOSISDBHSA-N 2 1 310.401 2.087 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001318804825 1140423756 /nfs/dbraw/zinc/42/37/56/1140423756.db2.gz KVWRQEYQTLGHHB-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001319038816 1140494165 /nfs/dbraw/zinc/49/41/65/1140494165.db2.gz ULKNKXVPZAKDJW-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001319385991 1140561058 /nfs/dbraw/zinc/56/10/58/1140561058.db2.gz RPCULLFSDIWZSG-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001319823676 1140744562 /nfs/dbraw/zinc/74/45/62/1140744562.db2.gz CUFUSAMOEOPHDF-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361588 1140888000 /nfs/dbraw/zinc/88/80/00/1140888000.db2.gz LLPAYMWSCVQWCU-KXBFYZLASA-N 2 1 312.461 2.253 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001278495862 1141646733 /nfs/dbraw/zinc/64/67/33/1141646733.db2.gz WLOCNCWWNXEDAQ-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001323520169 1141861609 /nfs/dbraw/zinc/86/16/09/1141861609.db2.gz SFSXWSRORZMTII-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582411 1142882533 /nfs/dbraw/zinc/88/25/33/1142882533.db2.gz OMBMKGAORPOONB-GDAAHCPNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582411 1142882536 /nfs/dbraw/zinc/88/25/36/1142882536.db2.gz OMBMKGAORPOONB-GDAAHCPNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582411 1142882537 /nfs/dbraw/zinc/88/25/37/1142882537.db2.gz OMBMKGAORPOONB-GDAAHCPNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582411 1142882539 /nfs/dbraw/zinc/88/25/39/1142882539.db2.gz OMBMKGAORPOONB-GDAAHCPNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001421638396 1171878029 /nfs/dbraw/zinc/87/80/29/1171878029.db2.gz OPEOUBDEUMNOSI-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001421638396 1171878032 /nfs/dbraw/zinc/87/80/32/1171878032.db2.gz OPEOUBDEUMNOSI-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638396 1171878034 /nfs/dbraw/zinc/87/80/34/1171878034.db2.gz OPEOUBDEUMNOSI-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638396 1171878037 /nfs/dbraw/zinc/87/80/37/1171878037.db2.gz OPEOUBDEUMNOSI-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341731499 1143685514 /nfs/dbraw/zinc/68/55/14/1143685514.db2.gz BVSVBUHUBWNTQR-RYQLBKOJSA-N 2 1 315.461 2.307 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001263865844 1144416546 /nfs/dbraw/zinc/41/65/46/1144416546.db2.gz VYVDMSFXLCAGMY-VQHPVUNQSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751905 1144606895 /nfs/dbraw/zinc/60/68/95/1144606895.db2.gz QVORBOSKHOUHFI-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394999 1144701802 /nfs/dbraw/zinc/70/18/02/1144701802.db2.gz MWBCSRXENUWOKA-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398551 1144702109 /nfs/dbraw/zinc/70/21/09/1144702109.db2.gz DDERRCGFEYYLKR-SFHVURJKSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001265526392 1144709098 /nfs/dbraw/zinc/70/90/98/1144709098.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526392 1144709100 /nfs/dbraw/zinc/70/91/00/1144709100.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001265526392 1144709101 /nfs/dbraw/zinc/70/91/01/1144709101.db2.gz ZOPTVIPJJLPEPN-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265635227 1144720132 /nfs/dbraw/zinc/72/01/32/1144720132.db2.gz SFJSLQBYDCFECC-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696632 1144729735 /nfs/dbraw/zinc/72/97/35/1144729735.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696632 1144729736 /nfs/dbraw/zinc/72/97/36/1144729736.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696632 1144729737 /nfs/dbraw/zinc/72/97/37/1144729737.db2.gz JGDULFMPUSUUAJ-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396284 1144821873 /nfs/dbraw/zinc/82/18/73/1144821873.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396284 1144821874 /nfs/dbraw/zinc/82/18/74/1144821874.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001279396284 1144821875 /nfs/dbraw/zinc/82/18/75/1144821875.db2.gz RZXQPOSTUHCFCW-XDNAFOTISA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001281684659 1144907618 /nfs/dbraw/zinc/90/76/18/1144907618.db2.gz VDELDPLJAUJMPC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001316616953 1144930147 /nfs/dbraw/zinc/93/01/47/1144930147.db2.gz DGWFPIAFKDCXHZ-IXDOHACOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001284723674 1145895506 /nfs/dbraw/zinc/89/55/06/1145895506.db2.gz PGAOGWSDDFDYOD-HNNXBMFYSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001284930384 1145975049 /nfs/dbraw/zinc/97/50/49/1145975049.db2.gz RZOBQTOXPWXTKD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001284930384 1145975054 /nfs/dbraw/zinc/97/50/54/1145975054.db2.gz RZOBQTOXPWXTKD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001284930384 1145975057 /nfs/dbraw/zinc/97/50/57/1145975057.db2.gz RZOBQTOXPWXTKD-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001491966557 1147024593 /nfs/dbraw/zinc/02/45/93/1147024593.db2.gz GGIVOZWUNTVSSI-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234746 1147143757 /nfs/dbraw/zinc/14/37/57/1147143757.db2.gz XTKKNNFQFBPWGC-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001317005828 1147578510 /nfs/dbraw/zinc/57/85/10/1147578510.db2.gz LLJTVOXJYIZXTA-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001316997094 1147646615 /nfs/dbraw/zinc/64/66/15/1147646615.db2.gz BZAVEIJITNDERV-MRXNPFEDSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001317038862 1147651381 /nfs/dbraw/zinc/65/13/81/1147651381.db2.gz HKWBFEZQAYSHSC-AWEZNQCLSA-N 2 1 304.438 2.044 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001317038862 1147651383 /nfs/dbraw/zinc/65/13/83/1147651383.db2.gz HKWBFEZQAYSHSC-AWEZNQCLSA-N 2 1 304.438 2.044 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001317786491 1147752292 /nfs/dbraw/zinc/75/22/92/1147752292.db2.gz AJXDZVDCOPZMND-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317786491 1147752294 /nfs/dbraw/zinc/75/22/94/1147752294.db2.gz AJXDZVDCOPZMND-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317786491 1147752296 /nfs/dbraw/zinc/75/22/96/1147752296.db2.gz AJXDZVDCOPZMND-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP N#CC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620391 358503756 /nfs/dbraw/zinc/50/37/56/358503756.db2.gz NBECQWXKIXTPJG-QZTJIDSGSA-N 2 1 318.465 2.254 20 30 DEEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC000443986465 238133620 /nfs/dbraw/zinc/13/36/20/238133620.db2.gz IZERWLNFOAMQSS-INIZCTEOSA-N 2 1 301.434 2.457 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001328254737 1148755586 /nfs/dbraw/zinc/75/55/86/1148755586.db2.gz GACBPTHCUNBZSX-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001328254737 1148755597 /nfs/dbraw/zinc/75/55/97/1148755597.db2.gz GACBPTHCUNBZSX-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000611391530 361589269 /nfs/dbraw/zinc/58/92/69/361589269.db2.gz MKUBXMXAFKMCIH-LJQANCHMSA-N 2 1 313.445 2.372 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000111495932 401717254 /nfs/dbraw/zinc/71/72/54/401717254.db2.gz YIDXNIRKKKIGNR-KRWDZBQOSA-N 2 1 322.497 2.201 20 30 DEEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396224 401851554 /nfs/dbraw/zinc/85/15/54/401851554.db2.gz OQRWBSKXXOKNLN-RLFYNMQTSA-N 2 1 324.513 2.385 20 30 DEEDMP C=CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000121169291 402018274 /nfs/dbraw/zinc/01/82/74/402018274.db2.gz AJCRTCNEFIVIRF-UHFFFAOYSA-N 2 1 315.461 2.147 20 30 DEEDMP C[N@H+](CCN1CC[NH+](CCCC#N)CC1)Cc1ccccc1 ZINC000066534108 402136136 /nfs/dbraw/zinc/13/61/36/402136136.db2.gz CKNKGNSPISASTM-UHFFFAOYSA-N 2 1 300.450 2.040 20 30 DEEDMP C[N@@H+](CCN1CC[NH+](CCCC#N)CC1)Cc1ccccc1 ZINC000066534108 402136139 /nfs/dbraw/zinc/13/61/39/402136139.db2.gz CKNKGNSPISASTM-UHFFFAOYSA-N 2 1 300.450 2.040 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000178582396 402514266 /nfs/dbraw/zinc/51/42/66/402514266.db2.gz WDXHQAQNQUNNBT-UHFFFAOYSA-N 2 1 315.421 2.085 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)N1 ZINC000262639645 402728672 /nfs/dbraw/zinc/72/86/72/402728672.db2.gz HNQYFNZPQIZIGS-CABCVRRESA-N 2 1 300.450 2.498 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)N1 ZINC000262660336 402729486 /nfs/dbraw/zinc/72/94/86/402729486.db2.gz MUQZTGIBWYWWQC-CABCVRRESA-N 2 1 300.450 2.498 20 30 DEEDMP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000182964055 402730092 /nfs/dbraw/zinc/73/00/92/402730092.db2.gz DHPFBTUMHPWTCY-UHFFFAOYSA-N 2 1 319.880 2.261 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000270982761 403249282 /nfs/dbraw/zinc/24/92/82/403249282.db2.gz GPQHKNSHZNLDPT-HNNXBMFYSA-N 2 1 304.438 2.103 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270982761 403249284 /nfs/dbraw/zinc/24/92/84/403249284.db2.gz GPQHKNSHZNLDPT-HNNXBMFYSA-N 2 1 304.438 2.103 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000285153461 403278655 /nfs/dbraw/zinc/27/86/55/403278655.db2.gz RYRMSSTVCJRYME-MRXNPFEDSA-N 2 1 313.449 2.365 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292408171 403359832 /nfs/dbraw/zinc/35/98/32/403359832.db2.gz YECOBWLVOIAYGC-XIRDDKMYSA-N 2 1 318.440 2.460 20 30 DEEDMP C=CCc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1O ZINC000346855806 403604879 /nfs/dbraw/zinc/60/48/79/403604879.db2.gz VUOTYCDIRNSDBP-ARFHVFGLSA-N 2 1 302.418 2.298 20 30 DEEDMP Cc1[nH+]ccn1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000344181359 403961640 /nfs/dbraw/zinc/96/16/40/403961640.db2.gz ZDVFHVBMCBMOBE-UHFFFAOYSA-N 2 1 323.444 2.317 20 30 DEEDMP C=CCCCCCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290239722 404094327 /nfs/dbraw/zinc/09/43/27/404094327.db2.gz ZIGGJPQPODHNQU-UHFFFAOYSA-N 2 1 317.481 2.455 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000328229365 404105638 /nfs/dbraw/zinc/10/56/38/404105638.db2.gz CKSHFOWEBWNMKX-HOTGVXAUSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000328229365 404105644 /nfs/dbraw/zinc/10/56/44/404105644.db2.gz CKSHFOWEBWNMKX-HOTGVXAUSA-N 2 1 323.481 2.225 20 30 DEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000353388042 404820001 /nfs/dbraw/zinc/82/00/01/404820001.db2.gz POBSHVTWCVEIIT-PKOBYXMFSA-N 2 1 313.445 2.372 20 30 DEEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354078567 405033216 /nfs/dbraw/zinc/03/32/16/405033216.db2.gz USCRWCKNRHOTMQ-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354078567 405033219 /nfs/dbraw/zinc/03/32/19/405033219.db2.gz USCRWCKNRHOTMQ-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000438983532 405261443 /nfs/dbraw/zinc/26/14/43/405261443.db2.gz HYPSRHMUSKENRV-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459003093 405686732 /nfs/dbraw/zinc/68/67/32/405686732.db2.gz OJEZJTJBXSTRIW-MRXNPFEDSA-N 2 1 310.486 2.010 20 30 DEEDMP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452262 407182980 /nfs/dbraw/zinc/18/29/80/407182980.db2.gz RFNULOBBSPJOIL-QZTJIDSGSA-N 2 1 309.498 2.117 20 30 DEEDMP CN(C)c1ccc(/C=C\C=[NH+]NCCC[NH+]2CCOCC2)cc1 ZINC000834977318 649863946 /nfs/dbraw/zinc/86/39/46/649863946.db2.gz SKOPWEMFKFWFCY-XFQKDXGMSA-N 2 1 316.449 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001329759433 1148988725 /nfs/dbraw/zinc/98/87/25/1148988725.db2.gz CAVGQOIEUSWDNC-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330243202 1149076776 /nfs/dbraw/zinc/07/67/76/1149076776.db2.gz FSXDKNGYKRCWIK-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP CN/C(=[NH+]/C)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262011418 526344675 /nfs/dbraw/zinc/34/46/75/526344675.db2.gz WQSOWQUWOJFRSV-IRXDYDNUSA-N 2 1 300.450 2.178 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000104155848 526576784 /nfs/dbraw/zinc/57/67/84/526576784.db2.gz CHGZQJAZCMMYHF-KRWDZBQOSA-N 2 1 316.449 2.313 20 30 DEEDMP C#Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000377656266 527433094 /nfs/dbraw/zinc/43/30/94/527433094.db2.gz RVDMMUDUVNPGRY-XLIONFOSSA-N 2 1 311.473 2.126 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084328 529101496 /nfs/dbraw/zinc/10/14/96/529101496.db2.gz JETITODGKCHTQX-INIZCTEOSA-N 2 1 318.465 2.362 20 30 DEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443973929 529143873 /nfs/dbraw/zinc/14/38/73/529143873.db2.gz QWACXHZPWNWPDM-UHFFFAOYSA-N 2 1 314.477 2.374 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761796 625427666 /nfs/dbraw/zinc/42/76/66/625427666.db2.gz JMQZXVFMKPPSDA-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467707 625461605 /nfs/dbraw/zinc/46/16/05/625461605.db2.gz CIXNRMFBLGKDIT-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021603694 623816829 /nfs/dbraw/zinc/81/68/29/623816829.db2.gz QXIGDQQWPQGINW-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603694 623816839 /nfs/dbraw/zinc/81/68/39/623816839.db2.gz QXIGDQQWPQGINW-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021603694 623816845 /nfs/dbraw/zinc/81/68/45/623816845.db2.gz QXIGDQQWPQGINW-DOTOQJQBSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437846 624056276 /nfs/dbraw/zinc/05/62/76/624056276.db2.gz TYWBVRUITCYPJB-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971667009 624497933 /nfs/dbraw/zinc/49/79/33/624497933.db2.gz HCPULRAXLIBGLO-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667009 624497934 /nfs/dbraw/zinc/49/79/34/624497934.db2.gz HCPULRAXLIBGLO-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667009 624497936 /nfs/dbraw/zinc/49/79/36/624497936.db2.gz HCPULRAXLIBGLO-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972486567 625121251 /nfs/dbraw/zinc/12/12/51/625121251.db2.gz UYJCBTAFDYYEKF-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972486567 625121255 /nfs/dbraw/zinc/12/12/55/625121255.db2.gz UYJCBTAFDYYEKF-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998902652 634442531 /nfs/dbraw/zinc/44/25/31/634442531.db2.gz WLDFQXYEDLMODG-BDVYOWHSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998902792 634442658 /nfs/dbraw/zinc/44/26/58/634442658.db2.gz YHWIMXCJMWVFSF-AQFXKWCLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365188 625239685 /nfs/dbraw/zinc/23/96/85/625239685.db2.gz YZQNNRBEYHUMRO-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365188 625239689 /nfs/dbraw/zinc/23/96/89/625239689.db2.gz YZQNNRBEYHUMRO-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402031 625253510 /nfs/dbraw/zinc/25/35/10/625253510.db2.gz DJMMQVGRNKAFEX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402031 625253515 /nfs/dbraw/zinc/25/35/15/625253515.db2.gz DJMMQVGRNKAFEX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647145 625949257 /nfs/dbraw/zinc/94/92/57/625949257.db2.gz JQMJFYLZHOVQTB-GJZGRUSLSA-N 2 1 316.449 2.376 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999505452 634613030 /nfs/dbraw/zinc/61/30/30/634613030.db2.gz JNEDSWIHOZINMD-JCYILVPMSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260194 634828744 /nfs/dbraw/zinc/82/87/44/634828744.db2.gz KWGCFTZYHAXPAQ-RDJZCZTQSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691719 632926844 /nfs/dbraw/zinc/92/68/44/632926844.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691719 632926852 /nfs/dbraw/zinc/92/68/52/632926852.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691719 632926858 /nfs/dbraw/zinc/92/68/58/632926858.db2.gz AAPHSAUWXQPTJT-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974771357 633294592 /nfs/dbraw/zinc/29/45/92/633294592.db2.gz CSVABPPLSNJDAT-MRXNPFEDSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975104076 633420625 /nfs/dbraw/zinc/42/06/25/633420625.db2.gz RUIJLWDOYATFDI-CQSZACIVSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975104076 633420629 /nfs/dbraw/zinc/42/06/29/633420629.db2.gz RUIJLWDOYATFDI-CQSZACIVSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975097294 633425142 /nfs/dbraw/zinc/42/51/42/633425142.db2.gz ADMVLZDWZWKOKN-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975097294 633425145 /nfs/dbraw/zinc/42/51/45/633425145.db2.gz ADMVLZDWZWKOKN-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998006287 634107273 /nfs/dbraw/zinc/10/72/73/634107273.db2.gz KLEUKFLOEUOJAE-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027919018 634965826 /nfs/dbraw/zinc/96/58/26/634965826.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919018 634965828 /nfs/dbraw/zinc/96/58/28/634965828.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001027919018 634965831 /nfs/dbraw/zinc/96/58/31/634965831.db2.gz SFAOGQAXQRMTOR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(CC)CC ZINC001027944086 635031978 /nfs/dbraw/zinc/03/19/78/635031978.db2.gz SZXGECOLTKJZAH-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683505 635275776 /nfs/dbraw/zinc/27/57/76/635275776.db2.gz ULDZXKVVEWKSSA-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683505 635275781 /nfs/dbraw/zinc/27/57/81/635275781.db2.gz ULDZXKVVEWKSSA-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000683505 635275785 /nfs/dbraw/zinc/27/57/85/635275785.db2.gz ULDZXKVVEWKSSA-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479017 635516843 /nfs/dbraw/zinc/51/68/43/635516843.db2.gz IJHLSVBWYSHASH-INIZCTEOSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001923957 635577730 /nfs/dbraw/zinc/57/77/30/635577730.db2.gz JKRZEDZCYKMZGE-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982736586 636384388 /nfs/dbraw/zinc/38/43/88/636384388.db2.gz PRNRTYIJSMIPSE-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982736586 636384393 /nfs/dbraw/zinc/38/43/93/636384393.db2.gz PRNRTYIJSMIPSE-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982736586 636384397 /nfs/dbraw/zinc/38/43/97/636384397.db2.gz PRNRTYIJSMIPSE-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@]2(C)C1 ZINC000982737094 636384495 /nfs/dbraw/zinc/38/44/95/636384495.db2.gz XXRYMVCNBVLRQH-HDICACEKSA-N 2 1 316.449 2.044 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@]2(C)C1 ZINC000982737094 636384499 /nfs/dbraw/zinc/38/44/99/636384499.db2.gz XXRYMVCNBVLRQH-HDICACEKSA-N 2 1 316.449 2.044 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592246 636433052 /nfs/dbraw/zinc/43/30/52/636433052.db2.gz IYAFFUUQXYZEGX-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592246 636433054 /nfs/dbraw/zinc/43/30/54/636433054.db2.gz IYAFFUUQXYZEGX-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592246 636433057 /nfs/dbraw/zinc/43/30/57/636433057.db2.gz IYAFFUUQXYZEGX-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623960 636477111 /nfs/dbraw/zinc/47/71/11/636477111.db2.gz WHBBLGJDIIPSFM-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633209 636499381 /nfs/dbraw/zinc/49/93/81/636499381.db2.gz MVQCPDOZIJNVKX-KSZLIROESA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894229788 636509299 /nfs/dbraw/zinc/50/92/99/636509299.db2.gz XECGJYOZRDKVNE-UHFFFAOYSA-N 2 1 323.481 2.483 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754363 636700468 /nfs/dbraw/zinc/70/04/68/636700468.db2.gz CXHNUZBLERIWAO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754363 636700472 /nfs/dbraw/zinc/70/04/72/636700472.db2.gz CXHNUZBLERIWAO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754363 636700477 /nfs/dbraw/zinc/70/04/77/636700477.db2.gz CXHNUZBLERIWAO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005498527 636752419 /nfs/dbraw/zinc/75/24/19/636752419.db2.gz SYMGLOOXTBTJPN-MRXNPFEDSA-N 2 1 316.449 2.259 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)C)CC1 ZINC001005518917 636757057 /nfs/dbraw/zinc/75/70/57/636757057.db2.gz NRWFRDIQDPLHGH-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(C)C)CC1 ZINC001005518917 636757062 /nfs/dbraw/zinc/75/70/62/636757062.db2.gz NRWFRDIQDPLHGH-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005884627 636930204 /nfs/dbraw/zinc/93/02/04/636930204.db2.gz PPAAZJFUKOBIIJ-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006001839 637062150 /nfs/dbraw/zinc/06/21/50/637062150.db2.gz RUHWLJBTHAKXNC-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335802 637122513 /nfs/dbraw/zinc/12/25/13/637122513.db2.gz DULFZHDOMJNLLX-GJZGRUSLSA-N 2 1 309.479 2.190 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335802 637122514 /nfs/dbraw/zinc/12/25/14/637122514.db2.gz DULFZHDOMJNLLX-GJZGRUSLSA-N 2 1 309.479 2.190 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358473 637133276 /nfs/dbraw/zinc/13/32/76/637133276.db2.gz HMELWKOEDXBJNZ-GUDVDZBRSA-N 2 1 313.445 2.303 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902664 637189351 /nfs/dbraw/zinc/18/93/51/637189351.db2.gz UNINZRKHNCOZRQ-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902664 637189354 /nfs/dbraw/zinc/18/93/54/637189354.db2.gz UNINZRKHNCOZRQ-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902664 637189355 /nfs/dbraw/zinc/18/93/55/637189355.db2.gz UNINZRKHNCOZRQ-USTZCAOPSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985685712 639584061 /nfs/dbraw/zinc/58/40/61/639584061.db2.gz IKUZMROPCDABOO-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985685712 639584063 /nfs/dbraw/zinc/58/40/63/639584063.db2.gz IKUZMROPCDABOO-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985685712 639584068 /nfs/dbraw/zinc/58/40/68/639584068.db2.gz IKUZMROPCDABOO-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)=[NH+]1 ZINC000841633317 650527081 /nfs/dbraw/zinc/52/70/81/650527081.db2.gz KOGQLUMFCQIXCX-CXAGYDPISA-N 2 1 311.433 2.279 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987103059 640087080 /nfs/dbraw/zinc/08/70/80/640087080.db2.gz NTTIAIUSYMNXFX-ZIAGYGMSSA-N 2 1 324.856 2.338 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000764614156 640664752 /nfs/dbraw/zinc/66/47/52/640664752.db2.gz TVJHOLTZFABUEA-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C[C@H]1CNC(NN=C2CCC([N@@H+](C)Cc3ccccc3)CC2)=[NH+]1 ZINC000797786111 644923573 /nfs/dbraw/zinc/92/35/73/644923573.db2.gz HLEUYTZPXXEZGN-MBIQTGHCSA-N 2 1 313.449 2.354 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992118570 646858891 /nfs/dbraw/zinc/85/88/91/646858891.db2.gz OBUXRIDAXLPCSM-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992118570 646858897 /nfs/dbraw/zinc/85/88/97/646858897.db2.gz OBUXRIDAXLPCSM-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992118570 646858898 /nfs/dbraw/zinc/85/88/98/646858898.db2.gz OBUXRIDAXLPCSM-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992118570 646858902 /nfs/dbraw/zinc/85/89/02/646858902.db2.gz OBUXRIDAXLPCSM-JZXOWHBKSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874828 /nfs/dbraw/zinc/87/48/28/646874828.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874829 /nfs/dbraw/zinc/87/48/29/646874829.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992149867 646874830 /nfs/dbraw/zinc/87/48/30/646874830.db2.gz OEIDLEFWLWIASP-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189942 646894603 /nfs/dbraw/zinc/89/46/03/646894603.db2.gz OEZQBMALTHVRFI-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189942 646894605 /nfs/dbraw/zinc/89/46/05/646894605.db2.gz OEZQBMALTHVRFI-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992189942 646894609 /nfs/dbraw/zinc/89/46/09/646894609.db2.gz OEZQBMALTHVRFI-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000815651862 647038107 /nfs/dbraw/zinc/03/81/07/647038107.db2.gz GSZRPENONGQWKZ-HZPDHXFCSA-N 2 1 323.481 2.177 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000815651862 647038109 /nfs/dbraw/zinc/03/81/09/647038109.db2.gz GSZRPENONGQWKZ-HZPDHXFCSA-N 2 1 323.481 2.177 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992489394 647063872 /nfs/dbraw/zinc/06/38/72/647063872.db2.gz ONXHUMOJUPOBHP-SJLPKXTDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC000992489394 647063874 /nfs/dbraw/zinc/06/38/74/647063874.db2.gz ONXHUMOJUPOBHP-SJLPKXTDSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993322206 647603546 /nfs/dbraw/zinc/60/35/46/647603546.db2.gz CFZWZTYMDTXQNN-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H]1C ZINC000994273225 647892124 /nfs/dbraw/zinc/89/21/24/647892124.db2.gz ZDROFMUPQBLGDV-GOEBONIOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273225 647892128 /nfs/dbraw/zinc/89/21/28/647892128.db2.gz ZDROFMUPQBLGDV-GOEBONIOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273225 647892132 /nfs/dbraw/zinc/89/21/32/647892132.db2.gz ZDROFMUPQBLGDV-GOEBONIOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939236814 648606553 /nfs/dbraw/zinc/60/65/53/648606553.db2.gz RSROLOYXVOFNEO-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757236 648940005 /nfs/dbraw/zinc/94/00/05/648940005.db2.gz WJFYWXVUXOAQRC-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757236 648940006 /nfs/dbraw/zinc/94/00/06/648940006.db2.gz WJFYWXVUXOAQRC-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757236 648940008 /nfs/dbraw/zinc/94/00/08/648940008.db2.gz WJFYWXVUXOAQRC-OAGGEKHMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940790033 648941705 /nfs/dbraw/zinc/94/17/05/648941705.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790033 648941707 /nfs/dbraw/zinc/94/17/07/648941707.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790033 648941709 /nfs/dbraw/zinc/94/17/09/648941709.db2.gz SFIYNBKMIYGYNP-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941076269 648995534 /nfs/dbraw/zinc/99/55/34/648995534.db2.gz VBLJMIMLYCHWKQ-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941169533 649014711 /nfs/dbraw/zinc/01/47/11/649014711.db2.gz OJWIYPHLGDEUKZ-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169533 649014712 /nfs/dbraw/zinc/01/47/12/649014712.db2.gz OJWIYPHLGDEUKZ-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169533 649014714 /nfs/dbraw/zinc/01/47/14/649014714.db2.gz OJWIYPHLGDEUKZ-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372328 649096507 /nfs/dbraw/zinc/09/65/07/649096507.db2.gz CEGDYHAYAFZRPT-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942172378 649174271 /nfs/dbraw/zinc/17/42/71/649174271.db2.gz JSBZRMCHUOWKBT-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942257923 649191900 /nfs/dbraw/zinc/19/19/00/649191900.db2.gz MUWZSIDMMHHLBG-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581587 649253346 /nfs/dbraw/zinc/25/33/46/649253346.db2.gz JJBTXDIMMVSYGV-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598440 649257298 /nfs/dbraw/zinc/25/72/98/649257298.db2.gz XNBJSBVVDYSIRS-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943287913 649358997 /nfs/dbraw/zinc/35/89/97/649358997.db2.gz LHEGBGVNSOQULE-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943287913 649359000 /nfs/dbraw/zinc/35/90/00/649359000.db2.gz LHEGBGVNSOQULE-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CCOCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000851746620 652224949 /nfs/dbraw/zinc/22/49/49/652224949.db2.gz AUURAJSHOKDKIC-UHFFFAOYSA-N 2 1 300.446 2.480 20 30 DEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304742578 685258632 /nfs/dbraw/zinc/25/86/32/685258632.db2.gz CQAONGAWROEWPU-HZPDHXFCSA-N 2 1 312.502 2.074 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153281 693864076 /nfs/dbraw/zinc/86/40/76/693864076.db2.gz NOJWFVLPTYVWPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153281 693864079 /nfs/dbraw/zinc/86/40/79/693864079.db2.gz NOJWFVLPTYVWPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153281 693864081 /nfs/dbraw/zinc/86/40/81/693864081.db2.gz NOJWFVLPTYVWPK-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP CC[C@H](CNC(NC1CC1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000303388826 685232432 /nfs/dbraw/zinc/23/24/32/685232432.db2.gz CCAWNVXXZCECHH-QGZVFWFLSA-N 2 1 300.450 2.151 20 30 DEEDMP CC[C@H](CNC(NC1CC1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000303388826 685232435 /nfs/dbraw/zinc/23/24/35/685232435.db2.gz CCAWNVXXZCECHH-QGZVFWFLSA-N 2 1 300.450 2.151 20 30 DEEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303713485 685233139 /nfs/dbraw/zinc/23/31/39/685233139.db2.gz QTVXOGYSVOJVRV-UHFFFAOYSA-N 2 1 318.465 2.260 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000303781074 685234248 /nfs/dbraw/zinc/23/42/48/685234248.db2.gz MBGDDFOGCLZYBF-WBVHZDCISA-N 2 1 302.466 2.206 20 30 DEEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])NCCc1ccccc1 ZINC000303777088 685234587 /nfs/dbraw/zinc/23/45/87/685234587.db2.gz IPFYCJRNUZOQGR-MRXNPFEDSA-N 2 1 302.466 2.398 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000303877671 685236887 /nfs/dbraw/zinc/23/68/87/685236887.db2.gz FMYSXLPBUNEIHA-HZPDHXFCSA-N 2 1 302.466 2.396 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000303908966 685239686 /nfs/dbraw/zinc/23/96/86/685239686.db2.gz XZLSWWLGNJFFKU-HNNXBMFYSA-N 2 1 300.450 2.091 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000303908966 685239689 /nfs/dbraw/zinc/23/96/89/685239689.db2.gz XZLSWWLGNJFFKU-HNNXBMFYSA-N 2 1 300.450 2.091 20 30 DEEDMP CCCCCCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710268 687662267 /nfs/dbraw/zinc/66/22/67/687662267.db2.gz XCOYVMYFJWBFFC-OAGGEKHMSA-N 2 1 309.454 2.214 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016686959 687682095 /nfs/dbraw/zinc/68/20/95/687682095.db2.gz FJSHSBUHYPSAFG-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858538 687720892 /nfs/dbraw/zinc/72/08/92/687720892.db2.gz FWULOCHEOIJJEY-OAHLLOKOSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017835189 687968900 /nfs/dbraw/zinc/96/89/00/687968900.db2.gz GPTHCAPXELVHHZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017835189 687968905 /nfs/dbraw/zinc/96/89/05/687968905.db2.gz GPTHCAPXELVHHZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835189 687968911 /nfs/dbraw/zinc/96/89/11/687968911.db2.gz GPTHCAPXELVHHZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835189 687968912 /nfs/dbraw/zinc/96/89/12/687968912.db2.gz GPTHCAPXELVHHZ-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001018873211 688244901 /nfs/dbraw/zinc/24/49/01/688244901.db2.gz ORNZXLIQFNFYPZ-KBPBESRZSA-N 2 1 324.856 2.340 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156715 688475533 /nfs/dbraw/zinc/47/55/33/688475533.db2.gz XPUQLZBLRCXDLP-BZUAXINKSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001026496955 688529210 /nfs/dbraw/zinc/52/92/10/688529210.db2.gz CQWSBOWHIMHBLD-SJJHQCBESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730834 688987669 /nfs/dbraw/zinc/98/76/69/688987669.db2.gz ZMACJQIDQMSGIM-KRWDZBQOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488993 689165862 /nfs/dbraw/zinc/16/58/62/689165862.db2.gz RLMYZKZENMVTMR-HOTGVXAUSA-N 2 1 310.401 2.118 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213861 689427131 /nfs/dbraw/zinc/42/71/31/689427131.db2.gz OAPMHNKXELHXMI-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033876676 689647130 /nfs/dbraw/zinc/64/71/30/689647130.db2.gz ACNBURLRABEGGK-KRWDZBQOSA-N 2 1 324.428 2.202 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214181 689765392 /nfs/dbraw/zinc/76/53/92/689765392.db2.gz IDUVAJTYICYNJY-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214181 689765394 /nfs/dbraw/zinc/76/53/94/689765394.db2.gz IDUVAJTYICYNJY-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214181 689765398 /nfs/dbraw/zinc/76/53/98/689765398.db2.gz IDUVAJTYICYNJY-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214181 689765401 /nfs/dbraw/zinc/76/54/01/689765401.db2.gz IDUVAJTYICYNJY-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284132 689794131 /nfs/dbraw/zinc/79/41/31/689794131.db2.gz HUJMDAUQLCEYSQ-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285367 689795008 /nfs/dbraw/zinc/79/50/08/689795008.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285367 689795011 /nfs/dbraw/zinc/79/50/11/689795011.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285367 689795013 /nfs/dbraw/zinc/79/50/13/689795013.db2.gz CMRXWWSEAFSBLN-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284962 689795295 /nfs/dbraw/zinc/79/52/95/689795295.db2.gz AIVQUAQJPQYAMB-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034284962 689795296 /nfs/dbraw/zinc/79/52/96/689795296.db2.gz AIVQUAQJPQYAMB-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034284962 689795299 /nfs/dbraw/zinc/79/52/99/689795299.db2.gz AIVQUAQJPQYAMB-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034482083 689867522 /nfs/dbraw/zinc/86/75/22/689867522.db2.gz YYBBLWLMQKAIDU-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034482083 689867523 /nfs/dbraw/zinc/86/75/23/689867523.db2.gz YYBBLWLMQKAIDU-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034482083 689867525 /nfs/dbraw/zinc/86/75/25/689867525.db2.gz YYBBLWLMQKAIDU-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034482083 689867528 /nfs/dbraw/zinc/86/75/28/689867528.db2.gz YYBBLWLMQKAIDU-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034493539 689873004 /nfs/dbraw/zinc/87/30/04/689873004.db2.gz UXQPICDCSOOWNP-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034493539 689873007 /nfs/dbraw/zinc/87/30/07/689873007.db2.gz UXQPICDCSOOWNP-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034493539 689873010 /nfs/dbraw/zinc/87/30/10/689873010.db2.gz UXQPICDCSOOWNP-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034493539 689873013 /nfs/dbraw/zinc/87/30/13/689873013.db2.gz UXQPICDCSOOWNP-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763021 690463512 /nfs/dbraw/zinc/46/35/12/690463512.db2.gz UIMCAQHSZTYEJR-SJLPKXTDSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773319 690469461 /nfs/dbraw/zinc/46/94/61/690469461.db2.gz LEFTZPRAMGNXAK-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820580 690486137 /nfs/dbraw/zinc/48/61/37/690486137.db2.gz LHKYGCIBNGHRFR-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820580 690486140 /nfs/dbraw/zinc/48/61/40/690486140.db2.gz LHKYGCIBNGHRFR-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820580 690486142 /nfs/dbraw/zinc/48/61/42/690486142.db2.gz LHKYGCIBNGHRFR-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138259 691030735 /nfs/dbraw/zinc/03/07/35/691030735.db2.gz XBIKXAUNSILMME-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163333 691036580 /nfs/dbraw/zinc/03/65/80/691036580.db2.gz AKIUPDXFIUAVFH-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163333 691036583 /nfs/dbraw/zinc/03/65/83/691036583.db2.gz AKIUPDXFIUAVFH-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163333 691036584 /nfs/dbraw/zinc/03/65/84/691036584.db2.gz AKIUPDXFIUAVFH-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241716 691219241 /nfs/dbraw/zinc/21/92/41/691219241.db2.gz RPLFHQKQFFKDFN-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040542053 691263296 /nfs/dbraw/zinc/26/32/96/691263296.db2.gz FLLBXUNKLOHXKJ-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041474820 691381812 /nfs/dbraw/zinc/38/18/12/691381812.db2.gz DCLWHAVHWFVFFR-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041767137 691426877 /nfs/dbraw/zinc/42/68/77/691426877.db2.gz FLPRQLNULVEBRF-LJQANCHMSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1ccnn1-c1ccc(F)cc1 ZINC000883131029 691435714 /nfs/dbraw/zinc/43/57/14/691435714.db2.gz CMMWPRLVSPFQRC-UHFFFAOYSA-N 2 1 300.381 2.056 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000883131354 691436430 /nfs/dbraw/zinc/43/64/30/691436430.db2.gz XOUVSXAFYVEAPB-UHFFFAOYSA-N 2 1 302.447 2.193 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000883131354 691436432 /nfs/dbraw/zinc/43/64/32/691436432.db2.gz XOUVSXAFYVEAPB-UHFFFAOYSA-N 2 1 302.447 2.193 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156470 691524550 /nfs/dbraw/zinc/52/45/50/691524550.db2.gz JGYSTJBTSZEMCB-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156470 691524553 /nfs/dbraw/zinc/52/45/53/691524553.db2.gz JGYSTJBTSZEMCB-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC001044741689 691880642 /nfs/dbraw/zinc/88/06/42/691880642.db2.gz CMLWAZOLJQSUKR-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044761412 691883014 /nfs/dbraw/zinc/88/30/14/691883014.db2.gz WPVGMAKDYUSBEI-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080706 691999604 /nfs/dbraw/zinc/99/96/04/691999604.db2.gz FXSXWPFMMHNJGJ-SZMVWBNQSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000886080706 691999606 /nfs/dbraw/zinc/99/96/06/691999606.db2.gz FXSXWPFMMHNJGJ-SZMVWBNQSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000886080706 691999609 /nfs/dbraw/zinc/99/96/09/691999609.db2.gz FXSXWPFMMHNJGJ-SZMVWBNQSA-N 2 1 317.477 2.380 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316755 692054306 /nfs/dbraw/zinc/05/43/06/692054306.db2.gz LWUBRPAXGQGWCN-DOTOQJQBSA-N 2 1 314.433 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046375558 692171302 /nfs/dbraw/zinc/17/13/02/692171302.db2.gz BKBSINUJKYDAFL-CRAIPNDOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046375558 692171304 /nfs/dbraw/zinc/17/13/04/692171304.db2.gz BKBSINUJKYDAFL-CRAIPNDOSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001046738880 692279046 /nfs/dbraw/zinc/27/90/46/692279046.db2.gz DHZHKWYRYZYGJS-LJQANCHMSA-N 2 1 322.412 2.090 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516625 692907824 /nfs/dbraw/zinc/90/78/24/692907824.db2.gz DTKUXTVKKBUBCM-JKSUJKDBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518114 692908865 /nfs/dbraw/zinc/90/88/65/692908865.db2.gz QFDXBJNLPGHJQN-HZPDHXFCSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535237 692914998 /nfs/dbraw/zinc/91/49/98/692914998.db2.gz ZGXFRJNHUXBAJC-ZACQAIPSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568675 692924066 /nfs/dbraw/zinc/92/40/66/692924066.db2.gz VWTNHEVTNHERPA-IRXDYDNUSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846204 693020257 /nfs/dbraw/zinc/02/02/57/693020257.db2.gz GIYSGOOUNINOGJ-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920598 693047949 /nfs/dbraw/zinc/04/79/49/693047949.db2.gz SOLDRGAYBIHKDW-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663395 693227390 /nfs/dbraw/zinc/22/73/90/693227390.db2.gz SRTBKDZLOFMDGH-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384201 693520381 /nfs/dbraw/zinc/52/03/81/693520381.db2.gz AZGVONXWMUOFHE-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427169 693531854 /nfs/dbraw/zinc/53/18/54/693531854.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427169 693531857 /nfs/dbraw/zinc/53/18/57/693531857.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427169 693531858 /nfs/dbraw/zinc/53/18/58/693531858.db2.gz WNBXSBUUIDAXRR-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439530 693534767 /nfs/dbraw/zinc/53/47/67/693534767.db2.gz OYOHSABALCBQMA-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439530 693534771 /nfs/dbraw/zinc/53/47/71/693534771.db2.gz OYOHSABALCBQMA-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052526902 693559168 /nfs/dbraw/zinc/55/91/68/693559168.db2.gz MRGVNUACEDWUHF-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591418 693574666 /nfs/dbraw/zinc/57/46/66/693574666.db2.gz PUBYGDNAEXUPMJ-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052859271 693634910 /nfs/dbraw/zinc/63/49/10/693634910.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859271 693634912 /nfs/dbraw/zinc/63/49/12/693634912.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052859271 693634914 /nfs/dbraw/zinc/63/49/14/693634914.db2.gz KRDAKAYAQCYJAS-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381302949 1152997539 /nfs/dbraw/zinc/99/75/39/1152997539.db2.gz SALCUBRJMKFGOT-LSDHHAIUSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381302949 1152997545 /nfs/dbraw/zinc/99/75/45/1152997545.db2.gz SALCUBRJMKFGOT-LSDHHAIUSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001402897545 1162522931 /nfs/dbraw/zinc/52/29/31/1162522931.db2.gz XFBYQKGCVMDGBS-CHWSQXEVSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001382084193 1153351249 /nfs/dbraw/zinc/35/12/49/1153351249.db2.gz CCDOQHKGGIGWAR-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391117262 1156133822 /nfs/dbraw/zinc/13/38/22/1156133822.db2.gz LRVMHVLMLKNZIV-HNNXBMFYSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391117262 1156133828 /nfs/dbraw/zinc/13/38/28/1156133828.db2.gz LRVMHVLMLKNZIV-HNNXBMFYSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001391239254 1156276482 /nfs/dbraw/zinc/27/64/82/1156276482.db2.gz AQAAKKKKSNBUFC-HZPDHXFCSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001391239254 1156276486 /nfs/dbraw/zinc/27/64/86/1156276486.db2.gz AQAAKKKKSNBUFC-HZPDHXFCSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001373291136 1156937883 /nfs/dbraw/zinc/93/78/83/1156937883.db2.gz QMYGVKIACZBZNA-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001373291136 1156937897 /nfs/dbraw/zinc/93/78/97/1156937897.db2.gz QMYGVKIACZBZNA-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001373291136 1156937910 /nfs/dbraw/zinc/93/79/10/1156937910.db2.gz QMYGVKIACZBZNA-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001374330558 1157815006 /nfs/dbraw/zinc/81/50/06/1157815006.db2.gz QIKICOSGNRIITL-GDBMZVCRSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001393502778 1157844625 /nfs/dbraw/zinc/84/46/25/1157844625.db2.gz XQFZGMFMHFWPJX-SHTZXODSSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001394510681 1158600468 /nfs/dbraw/zinc/60/04/68/1158600468.db2.gz MOSKBBBSHWJUPD-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376979721 1159862947 /nfs/dbraw/zinc/86/29/47/1159862947.db2.gz KDGHZHMTHANZBZ-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001404622549 1163756947 /nfs/dbraw/zinc/75/69/47/1163756947.db2.gz VLVJUQWLBVHKEI-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001404622549 1163756955 /nfs/dbraw/zinc/75/69/55/1163756955.db2.gz VLVJUQWLBVHKEI-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001404622549 1163756961 /nfs/dbraw/zinc/75/69/61/1163756961.db2.gz VLVJUQWLBVHKEI-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001406184876 1164497707 /nfs/dbraw/zinc/49/77/07/1164497707.db2.gz NFEWOUKRRUDGLD-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001423013484 1173015961 /nfs/dbraw/zinc/01/59/61/1173015961.db2.gz ZEMLXFYFOOGZQY-HUUCEWRRSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001436669381 1179176511 /nfs/dbraw/zinc/17/65/11/1179176511.db2.gz OIEKNEXXEIGOKT-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438308813 1180337788 /nfs/dbraw/zinc/33/77/88/1180337788.db2.gz FMPYAGKJPSKULR-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001438770295 1180808784 /nfs/dbraw/zinc/80/87/84/1180808784.db2.gz LLXRAYMUOVGTAJ-LSDHHAIUSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001441674636 1182124622 /nfs/dbraw/zinc/12/46/22/1182124622.db2.gz HTLMPDIIAZTONH-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842510 1182741117 /nfs/dbraw/zinc/74/11/17/1182741117.db2.gz HGYRBMLKVDXBMY-HNNXBMFYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001442842510 1182741125 /nfs/dbraw/zinc/74/11/25/1182741125.db2.gz HGYRBMLKVDXBMY-HNNXBMFYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001446579466 1184426034 /nfs/dbraw/zinc/42/60/34/1184426034.db2.gz HFCHBDRLECLYMX-MRXNPFEDSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001449006310 1185482405 /nfs/dbraw/zinc/48/24/05/1185482405.db2.gz COOBYSAVZKJVRP-ZBFHGGJFSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001449006310 1185482409 /nfs/dbraw/zinc/48/24/09/1185482409.db2.gz COOBYSAVZKJVRP-ZBFHGGJFSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449006310 1185482412 /nfs/dbraw/zinc/48/24/12/1185482412.db2.gz COOBYSAVZKJVRP-ZBFHGGJFSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001449006310 1185482426 /nfs/dbraw/zinc/48/24/26/1185482426.db2.gz COOBYSAVZKJVRP-ZBFHGGJFSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827583 790264007 /nfs/dbraw/zinc/26/40/07/790264007.db2.gz PQKQVJGLJHVWAO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827583 790264009 /nfs/dbraw/zinc/26/40/09/790264009.db2.gz PQKQVJGLJHVWAO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827583 790264013 /nfs/dbraw/zinc/26/40/13/790264013.db2.gz PQKQVJGLJHVWAO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333167800 1150010077 /nfs/dbraw/zinc/01/00/77/1150010077.db2.gz RICKVUHMRPGRGN-QGZVFWFLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672778 782844917 /nfs/dbraw/zinc/84/49/17/782844917.db2.gz KENUHARKEBJPOA-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441631 783110612 /nfs/dbraw/zinc/11/06/12/783110612.db2.gz JENWZZVLNIATSM-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441631 783110616 /nfs/dbraw/zinc/11/06/16/783110616.db2.gz JENWZZVLNIATSM-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437326 783136189 /nfs/dbraw/zinc/13/61/89/783136189.db2.gz QNYTWYUVRORXOV-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559679 783205793 /nfs/dbraw/zinc/20/57/93/783205793.db2.gz RAWXBVCVSZWLFK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559679 783205798 /nfs/dbraw/zinc/20/57/98/783205798.db2.gz RAWXBVCVSZWLFK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559679 783205805 /nfs/dbraw/zinc/20/58/05/783205805.db2.gz RAWXBVCVSZWLFK-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035185 790407372 /nfs/dbraw/zinc/40/73/72/790407372.db2.gz AOXZVFPJTGTXBH-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCC)C1 ZINC001100415432 776664515 /nfs/dbraw/zinc/66/45/15/776664515.db2.gz QFKIXIQGDKBEKH-ABHNRTSZSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCC)C1 ZINC001100415432 776664523 /nfs/dbraw/zinc/66/45/23/776664523.db2.gz QFKIXIQGDKBEKH-ABHNRTSZSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397006 777660459 /nfs/dbraw/zinc/66/04/59/777660459.db2.gz BJZYPVPDPTVTGH-ZWKOTPCHSA-N 2 1 308.466 2.154 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529803 778608437 /nfs/dbraw/zinc/60/84/37/778608437.db2.gz PZMAKWRDAMWTIM-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684838 779409076 /nfs/dbraw/zinc/40/90/76/779409076.db2.gz RBZWMYPQPPTFPW-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088014145 779634932 /nfs/dbraw/zinc/63/49/32/779634932.db2.gz HSCPLQHBYZMDOX-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014145 779634939 /nfs/dbraw/zinc/63/49/39/779634939.db2.gz HSCPLQHBYZMDOX-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014145 779634946 /nfs/dbraw/zinc/63/49/46/779634946.db2.gz HSCPLQHBYZMDOX-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088212167 779774037 /nfs/dbraw/zinc/77/40/37/779774037.db2.gz TYSLWQYKWPJDGB-MSOLQXFVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001088277613 779901127 /nfs/dbraw/zinc/90/11/27/779901127.db2.gz DIRBATVQJILSLV-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088327399 779960494 /nfs/dbraw/zinc/96/04/94/779960494.db2.gz MTTOKLYVECMMSK-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001088413315 780087447 /nfs/dbraw/zinc/08/74/47/780087447.db2.gz CSCWEOPTIUSKAI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001088419139 780098968 /nfs/dbraw/zinc/09/89/68/780098968.db2.gz IRZSRSXIVXEPJC-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620758 780657097 /nfs/dbraw/zinc/65/70/97/780657097.db2.gz AGAFJPQLCIMFKC-PMPSAXMXSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620758 780657101 /nfs/dbraw/zinc/65/71/01/780657101.db2.gz AGAFJPQLCIMFKC-PMPSAXMXSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641332 783310234 /nfs/dbraw/zinc/31/02/34/783310234.db2.gz KVDIUJYOXUPOAW-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671272 783341678 /nfs/dbraw/zinc/34/16/78/783341678.db2.gz NBGVAKKPXLMJLC-QGZVFWFLSA-N 2 1 324.428 2.188 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439279 783465224 /nfs/dbraw/zinc/46/52/24/783465224.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439279 783465230 /nfs/dbraw/zinc/46/52/30/783465230.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948439279 783465239 /nfs/dbraw/zinc/46/52/39/783465239.db2.gz LWPYDWNCJMXAKU-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570814 783507085 /nfs/dbraw/zinc/50/70/85/783507085.db2.gz RLYQFXHPJHKGOG-INIZCTEOSA-N 2 1 324.428 2.202 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127675276 783513683 /nfs/dbraw/zinc/51/36/83/783513683.db2.gz PULYBEFACTUAJB-GJZGRUSLSA-N 2 1 306.454 2.457 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099100 783560816 /nfs/dbraw/zinc/56/08/16/783560816.db2.gz CHCZHANTOVLMDV-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102516 783562918 /nfs/dbraw/zinc/56/29/18/783562918.db2.gz JBJFREMEILSXFN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266065 783916924 /nfs/dbraw/zinc/91/69/24/783916924.db2.gz ZKNCYZDXCWHWPH-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739568 784026689 /nfs/dbraw/zinc/02/66/89/784026689.db2.gz QXDOKMBVLNZVPV-QGZVFWFLSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085739568 784026698 /nfs/dbraw/zinc/02/66/98/784026698.db2.gz QXDOKMBVLNZVPV-QGZVFWFLSA-N 2 1 315.461 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930305 784228668 /nfs/dbraw/zinc/22/86/68/784228668.db2.gz TVFNXEOARVEJAF-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930305 784228672 /nfs/dbraw/zinc/22/86/72/784228672.db2.gz TVFNXEOARVEJAF-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086221338 784500613 /nfs/dbraw/zinc/50/06/13/784500613.db2.gz PCAMXUOMBQXQDL-YYIAUSFCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919979 784650578 /nfs/dbraw/zinc/65/05/78/784650578.db2.gz NCUHCPGKWITDIS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919979 784650580 /nfs/dbraw/zinc/65/05/80/784650580.db2.gz NCUHCPGKWITDIS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919979 784650583 /nfs/dbraw/zinc/65/05/83/784650583.db2.gz NCUHCPGKWITDIS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919979 784650586 /nfs/dbraw/zinc/65/05/86/784650586.db2.gz NCUHCPGKWITDIS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037986 784699149 /nfs/dbraw/zinc/69/91/49/784699149.db2.gz QVOGHBVHDTXNBF-ARFHVFGLSA-N 2 1 316.449 2.070 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001007457369 784925562 /nfs/dbraw/zinc/92/55/62/784925562.db2.gz MGHPJWQBSCKWPM-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746854 784989117 /nfs/dbraw/zinc/98/91/17/784989117.db2.gz OQMPPULBQOLVTH-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746854 784989122 /nfs/dbraw/zinc/98/91/22/784989122.db2.gz OQMPPULBQOLVTH-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746854 784989128 /nfs/dbraw/zinc/98/91/28/784989128.db2.gz OQMPPULBQOLVTH-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142096 785062425 /nfs/dbraw/zinc/06/24/25/785062425.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142096 785062430 /nfs/dbraw/zinc/06/24/30/785062430.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142096 785062433 /nfs/dbraw/zinc/06/24/33/785062433.db2.gz ZSGYRZKXJBLRGB-XCDZQEORSA-N 2 1 320.477 2.438 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008267663 785157370 /nfs/dbraw/zinc/15/73/70/785157370.db2.gz BZZCVQWQZVCBAH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008267663 785157376 /nfs/dbraw/zinc/15/73/76/785157376.db2.gz BZZCVQWQZVCBAH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008267663 785157381 /nfs/dbraw/zinc/15/73/81/785157381.db2.gz BZZCVQWQZVCBAH-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166789 785401436 /nfs/dbraw/zinc/40/14/36/785401436.db2.gz HAIYPQNFWIBJKZ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166789 785401439 /nfs/dbraw/zinc/40/14/39/785401439.db2.gz HAIYPQNFWIBJKZ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009166625 785401486 /nfs/dbraw/zinc/40/14/86/785401486.db2.gz GAXQUEWEGKSOEU-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009166625 785401492 /nfs/dbraw/zinc/40/14/92/785401492.db2.gz GAXQUEWEGKSOEU-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166625 785401498 /nfs/dbraw/zinc/40/14/98/785401498.db2.gz GAXQUEWEGKSOEU-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166625 785401509 /nfs/dbraw/zinc/40/15/09/785401509.db2.gz GAXQUEWEGKSOEU-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567475 786160538 /nfs/dbraw/zinc/16/05/38/786160538.db2.gz QXHUZSWDHIAXOB-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112965465 786332780 /nfs/dbraw/zinc/33/27/80/786332780.db2.gz JUVRMKRVXBITGK-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001113257654 786477755 /nfs/dbraw/zinc/47/77/55/786477755.db2.gz DTYZYGNGOUTDNS-IKGGRYGDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113538627 786668547 /nfs/dbraw/zinc/66/85/47/786668547.db2.gz XYXZUPRQOXYCQQ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723862 786723560 /nfs/dbraw/zinc/72/35/60/786723560.db2.gz RQYVKUMNDNCYHT-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014723862 786723567 /nfs/dbraw/zinc/72/35/67/786723567.db2.gz RQYVKUMNDNCYHT-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014723862 786723572 /nfs/dbraw/zinc/72/35/72/786723572.db2.gz RQYVKUMNDNCYHT-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183324 787961315 /nfs/dbraw/zinc/96/13/15/787961315.db2.gz MYBBPJOWVQFXNS-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183324 787961318 /nfs/dbraw/zinc/96/13/18/787961318.db2.gz MYBBPJOWVQFXNS-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086694556 788192913 /nfs/dbraw/zinc/19/29/13/788192913.db2.gz YBHKFBFZSNPPAA-GVDBMIGSSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734454 788205373 /nfs/dbraw/zinc/20/53/73/788205373.db2.gz MJUBXSVGVZDWIR-OAGGEKHMSA-N 2 1 317.433 2.252 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734454 788205377 /nfs/dbraw/zinc/20/53/77/788205377.db2.gz MJUBXSVGVZDWIR-OAGGEKHMSA-N 2 1 317.433 2.252 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123046 788288834 /nfs/dbraw/zinc/28/88/34/788288834.db2.gz XYZDCMADVARUMQ-SJORKVTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133143164 788294842 /nfs/dbraw/zinc/29/48/42/788294842.db2.gz RJTSYHQDMNRMPV-CVEARBPZSA-N 2 1 318.465 2.267 20 30 DEEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133186408 788311024 /nfs/dbraw/zinc/31/10/24/788311024.db2.gz UOWSBJLQZBPYJE-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020425 789168244 /nfs/dbraw/zinc/16/82/44/789168244.db2.gz GXRMLWPUDNNQIM-HUUCEWRRSA-N 2 1 318.465 2.211 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086739926 789387721 /nfs/dbraw/zinc/38/77/21/789387721.db2.gz AAEPSPMRRYDZIC-BBWFWOEESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507705 789747961 /nfs/dbraw/zinc/74/79/61/789747961.db2.gz AKFDOEFHWZMOEI-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627748 789825775 /nfs/dbraw/zinc/82/57/75/789825775.db2.gz KSYDDJJYDFXEKD-HIFRSBDPSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645885 789838748 /nfs/dbraw/zinc/83/87/48/789838748.db2.gz OSPAPJGLXPQSSE-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735529 789896936 /nfs/dbraw/zinc/89/69/36/789896936.db2.gz NMVHREUMOFFNDJ-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071996824 790004503 /nfs/dbraw/zinc/00/45/03/790004503.db2.gz VHEFUGGEBBHMEC-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706534 791344195 /nfs/dbraw/zinc/34/41/95/791344195.db2.gz GKXRXGSVXJFETE-IAGOWNOFSA-N 2 1 315.461 2.015 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706534 791344198 /nfs/dbraw/zinc/34/41/98/791344198.db2.gz GKXRXGSVXJFETE-IAGOWNOFSA-N 2 1 315.461 2.015 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899484 791650243 /nfs/dbraw/zinc/65/02/43/791650243.db2.gz YMPFXWCHLATERZ-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899484 791650245 /nfs/dbraw/zinc/65/02/45/791650245.db2.gz YMPFXWCHLATERZ-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991459 792021053 /nfs/dbraw/zinc/02/10/53/792021053.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991459 792021064 /nfs/dbraw/zinc/02/10/64/792021064.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991459 792021070 /nfs/dbraw/zinc/02/10/70/792021070.db2.gz ZEOGCTPGBRTTHZ-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100415169 792636600 /nfs/dbraw/zinc/63/66/00/792636600.db2.gz BJNSKVTWSKKDRE-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC(C)C)C1 ZINC001100415169 792636604 /nfs/dbraw/zinc/63/66/04/792636604.db2.gz BJNSKVTWSKKDRE-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP CC#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468697 792670416 /nfs/dbraw/zinc/67/04/16/792670416.db2.gz LAQBLEGJBCRIJU-UHFFFAOYSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758098 792828553 /nfs/dbraw/zinc/82/85/53/792828553.db2.gz XMIYNWFSDPXHPK-UHFFFAOYSA-N 2 1 324.856 2.209 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450019 792928929 /nfs/dbraw/zinc/92/89/29/792928929.db2.gz FIZVEOYBSOWWJP-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450019 792928935 /nfs/dbraw/zinc/92/89/35/792928935.db2.gz FIZVEOYBSOWWJP-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450019 792928938 /nfs/dbraw/zinc/92/89/38/792928938.db2.gz FIZVEOYBSOWWJP-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503452 792951175 /nfs/dbraw/zinc/95/11/75/792951175.db2.gz GNRPRPPJXDIPPR-IEBWSBKVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351664 793130198 /nfs/dbraw/zinc/13/01/98/793130198.db2.gz KPXSNDKHLCVHFV-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171820255 793207471 /nfs/dbraw/zinc/20/74/71/793207471.db2.gz CLTULIQTHGILKY-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192472 793978078 /nfs/dbraw/zinc/97/80/78/793978078.db2.gz UZXHOCPQIKDEQE-NVXWUHKLSA-N 2 1 324.428 2.045 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295923 794170057 /nfs/dbraw/zinc/17/00/57/794170057.db2.gz LJWMIRHDBIZOEI-INIZCTEOSA-N 2 1 309.498 2.252 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704035 794278990 /nfs/dbraw/zinc/27/89/90/794278990.db2.gz QCQWLBXJONQDPH-MRXNPFEDSA-N 2 1 318.465 2.260 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855811 794502647 /nfs/dbraw/zinc/50/26/47/794502647.db2.gz NBYPLIDDMGJLLW-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001111985004 794540532 /nfs/dbraw/zinc/54/05/32/794540532.db2.gz YRUOKNCVGAMBTD-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111985004 794540537 /nfs/dbraw/zinc/54/05/37/794540537.db2.gz YRUOKNCVGAMBTD-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111985004 794540540 /nfs/dbraw/zinc/54/05/40/794540540.db2.gz YRUOKNCVGAMBTD-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285338 794587900 /nfs/dbraw/zinc/58/79/00/794587900.db2.gz TYVNTMZTMCVVIP-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112438929 794637621 /nfs/dbraw/zinc/63/76/21/794637621.db2.gz LOWNVSJSQNHGKX-YJBOKZPZSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179382893 795109521 /nfs/dbraw/zinc/10/95/21/795109521.db2.gz DXTYIAWNSDOTEI-IRXDYDNUSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788395 795176575 /nfs/dbraw/zinc/17/65/75/795176575.db2.gz YJGUWXWNMZKIHS-ZWKOTPCHSA-N 2 1 319.493 2.293 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792493 795177677 /nfs/dbraw/zinc/17/76/77/795177677.db2.gz PIFRAWQYUORLEI-ZWKOTPCHSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120448880 795461674 /nfs/dbraw/zinc/46/16/74/795461674.db2.gz HYEZEMJVDOBXPF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448880 795461679 /nfs/dbraw/zinc/46/16/79/795461679.db2.gz HYEZEMJVDOBXPF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120448880 795461681 /nfs/dbraw/zinc/46/16/81/795461681.db2.gz HYEZEMJVDOBXPF-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518052 795497369 /nfs/dbraw/zinc/49/73/69/795497369.db2.gz NQTYJTPXMVCTHY-SFNKJDCFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261467 795608611 /nfs/dbraw/zinc/60/86/11/795608611.db2.gz WHRPGZFKXHVWCL-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589304 795711451 /nfs/dbraw/zinc/71/14/51/795711451.db2.gz BYWAUNJWFULELC-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177691 795733153 /nfs/dbraw/zinc/73/31/53/795733153.db2.gz IEYJHAHBTVOECJ-YKZJWBAHSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183510518 795883935 /nfs/dbraw/zinc/88/39/35/795883935.db2.gz ZDIHLXLWQFPGLY-CZUORRHYSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184575104 796086662 /nfs/dbraw/zinc/08/66/62/796086662.db2.gz BJSMCHMJPMJVEO-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCOc1ccc(C[N@H+](CCOC)C2CCN(C)CC2)cc1 ZINC001138558810 796234979 /nfs/dbraw/zinc/23/49/79/796234979.db2.gz JMYJLNAXQPLKGN-UHFFFAOYSA-N 2 1 316.445 2.241 20 30 DEEDMP C#CCOc1ccc(CN(CCOC)C2CC[NH+](C)CC2)cc1 ZINC001138558810 796234982 /nfs/dbraw/zinc/23/49/82/796234982.db2.gz JMYJLNAXQPLKGN-UHFFFAOYSA-N 2 1 316.445 2.241 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185551325 796280996 /nfs/dbraw/zinc/28/09/96/796280996.db2.gz ZDBGCFFAHCQXLN-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001185992783 796343432 /nfs/dbraw/zinc/34/34/32/796343432.db2.gz DSVYEPUSIKUOLY-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C[NH+]1CCC2(C[NH+](Cc3sc(N)c(C#N)c3Cl)C2)CC1 ZINC001141112836 796634763 /nfs/dbraw/zinc/63/47/63/796634763.db2.gz OISZSTQLKSNRJL-UHFFFAOYSA-N 2 1 310.854 2.383 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203283628 796806190 /nfs/dbraw/zinc/80/61/90/796806190.db2.gz ULVCTKGAFNVQRX-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660811 796868083 /nfs/dbraw/zinc/86/80/83/796868083.db2.gz XZWQXSDIKIJWDI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660811 796868089 /nfs/dbraw/zinc/86/80/89/796868089.db2.gz XZWQXSDIKIJWDI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660811 796868094 /nfs/dbraw/zinc/86/80/94/796868094.db2.gz XZWQXSDIKIJWDI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443958 796997694 /nfs/dbraw/zinc/99/76/94/796997694.db2.gz MBISYNSBSVSQDW-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443959 796998511 /nfs/dbraw/zinc/99/85/11/796998511.db2.gz MBISYNSBSVSQDW-HZPDHXFCSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655133 797049883 /nfs/dbraw/zinc/04/98/83/797049883.db2.gz NSIFHERZXWDKNJ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655133 797049889 /nfs/dbraw/zinc/04/98/89/797049889.db2.gz NSIFHERZXWDKNJ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001153819316 797403881 /nfs/dbraw/zinc/40/38/81/797403881.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001153819316 797403885 /nfs/dbraw/zinc/40/38/85/797403885.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001153819316 797403888 /nfs/dbraw/zinc/40/38/88/797403888.db2.gz WJRHMGBPTVODLH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679894 797430006 /nfs/dbraw/zinc/43/00/06/797430006.db2.gz HSCRXVHDMBPJCD-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193601126 797601836 /nfs/dbraw/zinc/60/18/36/797601836.db2.gz SQDQJKYECOVWFX-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193601126 797601838 /nfs/dbraw/zinc/60/18/38/797601838.db2.gz SQDQJKYECOVWFX-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601126 797601841 /nfs/dbraw/zinc/60/18/41/797601841.db2.gz SQDQJKYECOVWFX-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193601126 797601844 /nfs/dbraw/zinc/60/18/44/797601844.db2.gz SQDQJKYECOVWFX-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227974 797695978 /nfs/dbraw/zinc/69/59/78/797695978.db2.gz OURDTLIYAGPEDX-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227589 797696190 /nfs/dbraw/zinc/69/61/90/797696190.db2.gz LDIVHPIEVHKZJL-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299582 797970045 /nfs/dbraw/zinc/97/00/45/797970045.db2.gz VCOZVILKEJQCLO-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158467255 798411263 /nfs/dbraw/zinc/41/12/63/798411263.db2.gz FKLQQTSBYQFYPI-IAGOWNOFSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158474227 798412376 /nfs/dbraw/zinc/41/23/76/798412376.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474227 798412379 /nfs/dbraw/zinc/41/23/79/798412379.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474227 798412385 /nfs/dbraw/zinc/41/23/85/798412385.db2.gz TWKUJKLACSQEJX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203178045 798470179 /nfs/dbraw/zinc/47/01/79/798470179.db2.gz NDFURHQOKIEDIP-HZPDHXFCSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872306 798482681 /nfs/dbraw/zinc/48/26/81/798482681.db2.gz HIPFGFHSVUHYAK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872306 798482684 /nfs/dbraw/zinc/48/26/84/798482684.db2.gz HIPFGFHSVUHYAK-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400563 798683614 /nfs/dbraw/zinc/68/36/14/798683614.db2.gz UXPAUWGXXYNURM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400563 798683616 /nfs/dbraw/zinc/68/36/16/798683616.db2.gz UXPAUWGXXYNURM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400563 798683617 /nfs/dbraw/zinc/68/36/17/798683617.db2.gz UXPAUWGXXYNURM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043744 798710052 /nfs/dbraw/zinc/71/00/52/798710052.db2.gz IEGXTJAHVXYAFD-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161505023 798872799 /nfs/dbraw/zinc/87/27/99/798872799.db2.gz YSBVGDWGMMXYHI-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161869815 798953679 /nfs/dbraw/zinc/95/36/79/798953679.db2.gz LWVWIRKYLPLIMF-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161869815 798953684 /nfs/dbraw/zinc/95/36/84/798953684.db2.gz LWVWIRKYLPLIMF-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161869815 798953689 /nfs/dbraw/zinc/95/36/89/798953689.db2.gz LWVWIRKYLPLIMF-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001114403634 799089705 /nfs/dbraw/zinc/08/97/05/799089705.db2.gz WEUIPPVYKYBZGZ-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001114403634 799089711 /nfs/dbraw/zinc/08/97/11/799089711.db2.gz WEUIPPVYKYBZGZ-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001114403634 799089718 /nfs/dbraw/zinc/08/97/18/799089718.db2.gz WEUIPPVYKYBZGZ-IMBTUZDBSA-N 2 1 319.493 2.262 20 30 DEEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)cc(C)c1C#N ZINC001163122474 799252384 /nfs/dbraw/zinc/25/23/84/799252384.db2.gz MJQGLDYHPYUTQJ-UHFFFAOYSA-N 2 1 308.817 2.193 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165920073 799794629 /nfs/dbraw/zinc/79/46/29/799794629.db2.gz OOPITBYNYMJYAF-MRXNPFEDSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959695 799798095 /nfs/dbraw/zinc/79/80/95/799798095.db2.gz XHTNTJJYQMAOQY-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687724 799922105 /nfs/dbraw/zinc/92/21/05/799922105.db2.gz XZCVMWZDIKXKRJ-OAHLLOKOSA-N 2 1 319.852 2.047 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166750964 799940564 /nfs/dbraw/zinc/94/05/64/799940564.db2.gz OBYLBLFHFIGYEY-UHFFFAOYSA-N 2 1 317.477 2.223 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204076581 800170095 /nfs/dbraw/zinc/17/00/95/800170095.db2.gz RQLJEJMFOVXETN-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204076581 800170097 /nfs/dbraw/zinc/17/00/97/800170097.db2.gz RQLJEJMFOVXETN-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206620127 800566207 /nfs/dbraw/zinc/56/62/07/800566207.db2.gz LFIMKJRMCDGMHQ-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930024 800632425 /nfs/dbraw/zinc/63/24/25/800632425.db2.gz OPWVGFBYSPXTDV-OAHLLOKOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccnc2C)CC1 ZINC001207154687 800697355 /nfs/dbraw/zinc/69/73/55/800697355.db2.gz RVNLFGHQEOOXAG-UHFFFAOYSA-N 2 1 314.477 2.182 20 30 DEEDMP C=CCN(CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203671 800708914 /nfs/dbraw/zinc/70/89/14/800708914.db2.gz MNNRQUJOBWNJJX-SFHVURJKSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203671 800708919 /nfs/dbraw/zinc/70/89/19/800708919.db2.gz MNNRQUJOBWNJJX-SFHVURJKSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203671 800708924 /nfs/dbraw/zinc/70/89/24/800708924.db2.gz MNNRQUJOBWNJJX-SFHVURJKSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCN(CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC001207203671 800708928 /nfs/dbraw/zinc/70/89/28/800708928.db2.gz MNNRQUJOBWNJJX-SFHVURJKSA-N 2 1 323.481 2.437 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207262881 800718597 /nfs/dbraw/zinc/71/85/97/800718597.db2.gz KVFUVSXECOKGIE-BZUAXINKSA-N 2 1 313.461 2.069 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+](CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001207276479 800721123 /nfs/dbraw/zinc/72/11/23/800721123.db2.gz XSNRYWSTBWXIPW-UHFFFAOYSA-N 2 1 323.481 2.295 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616799 800789972 /nfs/dbraw/zinc/78/99/72/800789972.db2.gz FKSDRPQVKBLSIO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616799 800789973 /nfs/dbraw/zinc/78/99/73/800789973.db2.gz FKSDRPQVKBLSIO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616799 800789975 /nfs/dbraw/zinc/78/99/75/800789975.db2.gz FKSDRPQVKBLSIO-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208115709 800914706 /nfs/dbraw/zinc/91/47/06/800914706.db2.gz KMZVSSPQHHKUER-OAHLLOKOSA-N 2 1 309.454 2.095 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208606173 801028739 /nfs/dbraw/zinc/02/87/39/801028739.db2.gz DKHBCIGCTOCDBM-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208606173 801028744 /nfs/dbraw/zinc/02/87/44/801028744.db2.gz DKHBCIGCTOCDBM-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208606173 801028751 /nfs/dbraw/zinc/02/87/51/801028751.db2.gz DKHBCIGCTOCDBM-CEXWTWQISA-N 2 1 322.493 2.402 20 30 DEEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208926458 801094693 /nfs/dbraw/zinc/09/46/93/801094693.db2.gz HTLCHCCBKMYAHB-UHFFFAOYSA-N 2 1 312.417 2.231 20 30 DEEDMP C[C@H](c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1)[NH+](C)C ZINC001229627708 801299814 /nfs/dbraw/zinc/29/98/14/801299814.db2.gz QXAQFKTUPMSTPK-OEAKXUMTSA-N 2 1 302.418 2.300 20 30 DEEDMP C[C@H](c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229627708 801299819 /nfs/dbraw/zinc/29/98/19/801299819.db2.gz QXAQFKTUPMSTPK-OEAKXUMTSA-N 2 1 302.418 2.300 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633488 801435976 /nfs/dbraw/zinc/43/59/76/801435976.db2.gz DPPISYLKLAPEOG-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633486 801436023 /nfs/dbraw/zinc/43/60/23/801436023.db2.gz DPPISYLKLAPEOG-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444374 801566919 /nfs/dbraw/zinc/56/69/19/801566919.db2.gz XQEFOTAAFMDFIM-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215569327 801877371 /nfs/dbraw/zinc/87/73/71/801877371.db2.gz ZXHCTQUAIWYACL-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216348813 801967012 /nfs/dbraw/zinc/96/70/12/801967012.db2.gz OOPDCHRZTUAFNI-NXHRZFHOSA-N 2 1 315.461 2.302 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001222891253 802747887 /nfs/dbraw/zinc/74/78/87/802747887.db2.gz CPOBYHJFDHZOMD-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001227986646 803302589 /nfs/dbraw/zinc/30/25/89/803302589.db2.gz IIKQIGZYSPIJDG-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462299854 1058794598 /nfs/dbraw/zinc/79/45/98/1058794598.db2.gz YBPZFNLYRZVLHB-NUJGCVRESA-N 2 1 306.450 2.043 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462299854 1058794619 /nfs/dbraw/zinc/79/46/19/1058794619.db2.gz YBPZFNLYRZVLHB-NUJGCVRESA-N 2 1 306.450 2.043 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001501232328 1059396016 /nfs/dbraw/zinc/39/60/16/1059396016.db2.gz HEEXXFIZMFYFGB-CALCHBBNSA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001501232328 1059396036 /nfs/dbraw/zinc/39/60/36/1059396036.db2.gz HEEXXFIZMFYFGB-CALCHBBNSA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501404621 1059492814 /nfs/dbraw/zinc/49/28/14/1059492814.db2.gz SKTQUBSHYSYOLG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404621 1059492825 /nfs/dbraw/zinc/49/28/25/1059492825.db2.gz SKTQUBSHYSYOLG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404621 1059492834 /nfs/dbraw/zinc/49/28/34/1059492834.db2.gz SKTQUBSHYSYOLG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001501569391 1059551258 /nfs/dbraw/zinc/55/12/58/1059551258.db2.gz XPYGTPZLDLYWHH-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001501681166 1059632599 /nfs/dbraw/zinc/63/25/99/1059632599.db2.gz DBVUETYWZIJQEA-HNNXBMFYSA-N 2 1 303.450 2.480 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001501712362 1059658419 /nfs/dbraw/zinc/65/84/19/1059658419.db2.gz NWCYXEFPCNHRGU-BZUAXINKSA-N 2 1 318.465 2.429 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001502496082 1060153517 /nfs/dbraw/zinc/15/35/17/1060153517.db2.gz FYKJHBRMXIKWNU-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001505430899 1060582914 /nfs/dbraw/zinc/58/29/14/1060582914.db2.gz LVTJAILCPUNYMH-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965185 1062121632 /nfs/dbraw/zinc/12/16/32/1062121632.db2.gz NUFBJTGQAYVDOF-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965184 1062122057 /nfs/dbraw/zinc/12/20/57/1062122057.db2.gz NUFBJTGQAYVDOF-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480085163 1062301379 /nfs/dbraw/zinc/30/13/79/1062301379.db2.gz QCQNAKBBPGQXHZ-MRXNPFEDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480255165 1062536166 /nfs/dbraw/zinc/53/61/66/1062536166.db2.gz QRIMJTHTSTZOQY-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480255165 1062536190 /nfs/dbraw/zinc/53/61/90/1062536190.db2.gz QRIMJTHTSTZOQY-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480255165 1062536216 /nfs/dbraw/zinc/53/62/16/1062536216.db2.gz QRIMJTHTSTZOQY-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001480255377 1062536749 /nfs/dbraw/zinc/53/67/49/1062536749.db2.gz VJXOTFHPKWUCLY-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480257850 1062544891 /nfs/dbraw/zinc/54/48/91/1062544891.db2.gz OCAAQKOLYPHYEX-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480264078 1062560915 /nfs/dbraw/zinc/56/09/15/1062560915.db2.gz VEIQEWVNJAQREX-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480264078 1062560932 /nfs/dbraw/zinc/56/09/32/1062560932.db2.gz VEIQEWVNJAQREX-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480300485 1062606475 /nfs/dbraw/zinc/60/64/75/1062606475.db2.gz NTNNXUVOCTXDSY-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN(C)Cc1ccccc1 ZINC001480334630 1062673872 /nfs/dbraw/zinc/67/38/72/1062673872.db2.gz GDVYKGGQBXSMLA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480372464 1062731127 /nfs/dbraw/zinc/73/11/27/1062731127.db2.gz KWWUTZWZIXLRHV-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372464 1062731148 /nfs/dbraw/zinc/73/11/48/1062731148.db2.gz KWWUTZWZIXLRHV-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372464 1062731172 /nfs/dbraw/zinc/73/11/72/1062731172.db2.gz KWWUTZWZIXLRHV-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742721 1063283805 /nfs/dbraw/zinc/28/38/05/1063283805.db2.gz QYLDHIJDBMIHJV-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001493009567 1063473141 /nfs/dbraw/zinc/47/31/41/1063473141.db2.gz DSAUWAXLHMOCNU-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001493009567 1063473150 /nfs/dbraw/zinc/47/31/50/1063473150.db2.gz DSAUWAXLHMOCNU-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001493157697 1063608565 /nfs/dbraw/zinc/60/85/65/1063608565.db2.gz AECBPWJVDOKJIB-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493157697 1063608570 /nfs/dbraw/zinc/60/85/70/1063608570.db2.gz AECBPWJVDOKJIB-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001493157697 1063608576 /nfs/dbraw/zinc/60/85/76/1063608576.db2.gz AECBPWJVDOKJIB-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001494171124 1064154531 /nfs/dbraw/zinc/15/45/31/1064154531.db2.gz GTJMTTLTWMYTGY-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001567419949 1064191631 /nfs/dbraw/zinc/19/16/31/1064191631.db2.gz YKLJBYMHKVRMOP-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001494290732 1064201871 /nfs/dbraw/zinc/20/18/71/1064201871.db2.gz WABFHXKUWZYDEP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001494290732 1064201878 /nfs/dbraw/zinc/20/18/78/1064201878.db2.gz WABFHXKUWZYDEP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001494290732 1064201888 /nfs/dbraw/zinc/20/18/88/1064201888.db2.gz WABFHXKUWZYDEP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567738713 1064391478 /nfs/dbraw/zinc/39/14/78/1064391478.db2.gz IFHLNXGSJWSVCR-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567738713 1064391486 /nfs/dbraw/zinc/39/14/86/1064391486.db2.gz IFHLNXGSJWSVCR-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP CC#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@@H]1C ZINC001568043480 1064614938 /nfs/dbraw/zinc/61/49/38/1064614938.db2.gz KWMVYZLQVUPTAH-FUHWJXTLSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001568345132 1064792123 /nfs/dbraw/zinc/79/21/23/1064792123.db2.gz CXYVPINRYHLEDY-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568385437 1064827649 /nfs/dbraw/zinc/82/76/49/1064827649.db2.gz FRMIZNPLNHPEOE-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001568438781 1064873396 /nfs/dbraw/zinc/87/33/96/1064873396.db2.gz UZSDQFVBCQXRNZ-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001568500664 1064914753 /nfs/dbraw/zinc/91/47/53/1064914753.db2.gz UHEVKBVRLKFXMI-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329173990 1148871468 /nfs/dbraw/zinc/87/14/68/1148871468.db2.gz ZTCWYADBPLOGJD-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C#CC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001329173990 1148871469 /nfs/dbraw/zinc/87/14/69/1148871469.db2.gz ZTCWYADBPLOGJD-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001495728880 1065078076 /nfs/dbraw/zinc/07/80/76/1065078076.db2.gz KCIJDKCSUGYRJV-GOEBONIOSA-N 2 1 318.465 2.062 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001569376287 1065472775 /nfs/dbraw/zinc/47/27/75/1065472775.db2.gz IJXVDFXEVKDKBY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001496488827 1065506210 /nfs/dbraw/zinc/50/62/10/1065506210.db2.gz CKOGLXKKPXIEJH-WFASDCNBSA-N 2 1 324.856 2.161 20 30 DEEDMP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436387 1065507337 /nfs/dbraw/zinc/50/73/37/1065507337.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436387 1065507349 /nfs/dbraw/zinc/50/73/49/1065507349.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436387 1065507361 /nfs/dbraw/zinc/50/73/61/1065507361.db2.gz HPXHBNAZPWQMGU-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515674 /nfs/dbraw/zinc/51/56/74/1065515674.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515680 /nfs/dbraw/zinc/51/56/80/1065515680.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CCCCCC1 ZINC001569450868 1065515684 /nfs/dbraw/zinc/51/56/84/1065515684.db2.gz NFODVQMAVVSNHX-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001569716418 1065687422 /nfs/dbraw/zinc/68/74/22/1065687422.db2.gz XGLOFJLZUXEQBC-IEBWSBKVSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569909897 1065812668 /nfs/dbraw/zinc/81/26/68/1065812668.db2.gz KATRUALQNYKFKA-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909897 1065812676 /nfs/dbraw/zinc/81/26/76/1065812676.db2.gz KATRUALQNYKFKA-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569909897 1065812686 /nfs/dbraw/zinc/81/26/86/1065812686.db2.gz KATRUALQNYKFKA-BDXSIMOUSA-N 2 1 319.493 2.358 20 30 DEEDMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570028157 1065893164 /nfs/dbraw/zinc/89/31/64/1065893164.db2.gz LHBKCOIMPFVENP-SFHVURJKSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCC1 ZINC001570105023 1065925637 /nfs/dbraw/zinc/92/56/37/1065925637.db2.gz FFJHHPRSKPDDLH-HNNXBMFYSA-N 2 1 316.449 2.048 20 30 DEEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001570486870 1066092557 /nfs/dbraw/zinc/09/25/57/1066092557.db2.gz IFFCEUCEIPHRTN-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001570502598 1066096550 /nfs/dbraw/zinc/09/65/50/1066096550.db2.gz GVLFWKQJXQEVNJ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001570502598 1066096562 /nfs/dbraw/zinc/09/65/62/1066096562.db2.gz GVLFWKQJXQEVNJ-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C[C@@H]1C[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC[NH2+]1 ZINC001576599997 1066643861 /nfs/dbraw/zinc/64/38/61/1066643861.db2.gz WZOBMGAUPLKIJK-IAGOWNOFSA-N 2 1 312.461 2.458 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001498894705 1066944122 /nfs/dbraw/zinc/94/41/22/1066944122.db2.gz VHJWRLGZVOJQSN-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001499515314 1067241687 /nfs/dbraw/zinc/24/16/87/1067241687.db2.gz VNMQNWNOEYBVGB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001499515314 1067241694 /nfs/dbraw/zinc/24/16/94/1067241694.db2.gz VNMQNWNOEYBVGB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001499515314 1067241699 /nfs/dbraw/zinc/24/16/99/1067241699.db2.gz VNMQNWNOEYBVGB-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267181787 1078646375 /nfs/dbraw/zinc/64/63/75/1078646375.db2.gz NNMOHPZXNCBGQK-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181787 1078646377 /nfs/dbraw/zinc/64/63/77/1078646377.db2.gz NNMOHPZXNCBGQK-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267181787 1078646379 /nfs/dbraw/zinc/64/63/79/1078646379.db2.gz NNMOHPZXNCBGQK-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001570799836 1068120467 /nfs/dbraw/zinc/12/04/67/1068120467.db2.gz KKPWBYPIJNXQJQ-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001571326724 1068223226 /nfs/dbraw/zinc/22/32/26/1068223226.db2.gz ZXVCXMIRTRCSPJ-HUUCEWRRSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001571401533 1068276490 /nfs/dbraw/zinc/27/64/90/1068276490.db2.gz GFBKOXBYXQPVPL-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CCOc1ccc(Br)cc1C[NH2+]CCC[NH2+]C ZINC001574735368 1069249587 /nfs/dbraw/zinc/24/95/87/1069249587.db2.gz GVFWQYZPADXZDM-UHFFFAOYSA-N 2 1 311.223 2.160 20 30 DEEDMP C=C(CC(C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001545058175 1072559003 /nfs/dbraw/zinc/55/90/03/1072559003.db2.gz HIAVGCSNFCAEGR-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001483742082 1078976612 /nfs/dbraw/zinc/97/66/12/1078976612.db2.gz GEXDPLRMJIFVDC-SJORKVTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001483742082 1078976619 /nfs/dbraw/zinc/97/66/19/1078976619.db2.gz GEXDPLRMJIFVDC-SJORKVTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267560196 1078992651 /nfs/dbraw/zinc/99/26/51/1078992651.db2.gz HUQNKXSHMGRYBO-INIZCTEOSA-N 2 1 324.428 2.108 20 30 DEEDMP CC#CC[NH+](C)Cc1ccccc1CNC(=O)CC[N@H+](C)CC ZINC001272675440 1079112746 /nfs/dbraw/zinc/11/27/46/1079112746.db2.gz LPMUPARBYUJARF-UHFFFAOYSA-N 2 1 315.461 2.100 20 30 DEEDMP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)CC ZINC001272675440 1079112749 /nfs/dbraw/zinc/11/27/49/1079112749.db2.gz LPMUPARBYUJARF-UHFFFAOYSA-N 2 1 315.461 2.100 20 30 DEEDMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)CC ZINC001272675440 1079112756 /nfs/dbraw/zinc/11/27/56/1079112756.db2.gz LPMUPARBYUJARF-UHFFFAOYSA-N 2 1 315.461 2.100 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001483974822 1079220682 /nfs/dbraw/zinc/22/06/82/1079220682.db2.gz RYEAZERSXBRLJB-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001481146756 1079255527 /nfs/dbraw/zinc/25/55/27/1079255527.db2.gz VNBNBCIGXLHIOH-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001481146756 1079255533 /nfs/dbraw/zinc/25/55/33/1079255533.db2.gz VNBNBCIGXLHIOH-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001565771229 1075186778 /nfs/dbraw/zinc/18/67/78/1075186778.db2.gz HYAQOLHCUZLRKA-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC001565969359 1075211311 /nfs/dbraw/zinc/21/13/11/1075211311.db2.gz USQXMZYTNCACNJ-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267690169 1079376409 /nfs/dbraw/zinc/37/64/09/1079376409.db2.gz XXTAUBBSAQCLPW-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001566739834 1075330571 /nfs/dbraw/zinc/33/05/71/1075330571.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566739834 1075330576 /nfs/dbraw/zinc/33/05/76/1075330576.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566739834 1075330577 /nfs/dbraw/zinc/33/05/77/1075330577.db2.gz KZMFTDLURQJIEL-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001566790785 1075345366 /nfs/dbraw/zinc/34/53/66/1075345366.db2.gz YCHCOJBQUREPRH-LUKYLMHMSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267703650 1079392307 /nfs/dbraw/zinc/39/23/07/1079392307.db2.gz SOGNSBDRJHNOBP-SJORKVTESA-N 2 1 309.498 2.319 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001566878168 1075371316 /nfs/dbraw/zinc/37/13/16/1075371316.db2.gz NBSVGMBQECXAMI-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267764807 1079469063 /nfs/dbraw/zinc/46/90/63/1079469063.db2.gz ZSZLFOPBMOGTRB-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001481270682 1079509251 /nfs/dbraw/zinc/50/92/51/1079509251.db2.gz BIGXCNMFALCEFG-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001484395289 1079584140 /nfs/dbraw/zinc/58/41/40/1079584140.db2.gz VNAAEKPCLUEKJM-KZNAEPCWSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001267915293 1079597495 /nfs/dbraw/zinc/59/74/95/1079597495.db2.gz BNOIKBIIHXPCTF-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001671250910 1079639666 /nfs/dbraw/zinc/63/96/66/1079639666.db2.gz GBLHJKAUGKTUPQ-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001484526507 1079640473 /nfs/dbraw/zinc/64/04/73/1079640473.db2.gz FWKIWIMEGDDABT-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001671250912 1079640668 /nfs/dbraw/zinc/64/06/68/1079640668.db2.gz GBLHJKAUGKTUPQ-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484557134 1079658253 /nfs/dbraw/zinc/65/82/53/1079658253.db2.gz FITAMXLZKUSNMM-KRWDZBQOSA-N 2 1 303.450 2.261 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001481335264 1079730483 /nfs/dbraw/zinc/73/04/83/1079730483.db2.gz SZDGSGXYNMLGIK-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481409832 1079798678 /nfs/dbraw/zinc/79/86/78/1079798678.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481409832 1079798683 /nfs/dbraw/zinc/79/86/83/1079798683.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481409832 1079798688 /nfs/dbraw/zinc/79/86/88/1079798688.db2.gz ULFDLQHBIHWGEM-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481443176 1079856935 /nfs/dbraw/zinc/85/69/35/1079856935.db2.gz RKINAFZGVWIEHM-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485065403 1079942567 /nfs/dbraw/zinc/94/25/67/1079942567.db2.gz KAPDIHMFUAMSEL-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001485065403 1079942573 /nfs/dbraw/zinc/94/25/73/1079942573.db2.gz KAPDIHMFUAMSEL-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500151 1079959336 /nfs/dbraw/zinc/95/93/36/1079959336.db2.gz CXBGYJVDCFWHAX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481500151 1079959343 /nfs/dbraw/zinc/95/93/43/1079959343.db2.gz CXBGYJVDCFWHAX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481500151 1079959346 /nfs/dbraw/zinc/95/93/46/1079959346.db2.gz CXBGYJVDCFWHAX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001481521917 1079992519 /nfs/dbraw/zinc/99/25/19/1079992519.db2.gz XECYWINFAIRZHS-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001481521917 1079992527 /nfs/dbraw/zinc/99/25/27/1079992527.db2.gz XECYWINFAIRZHS-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001481521917 1079992534 /nfs/dbraw/zinc/99/25/34/1079992534.db2.gz XECYWINFAIRZHS-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001656237916 1080070708 /nfs/dbraw/zinc/07/07/08/1080070708.db2.gz STDOWRMFYNREIC-BPUTZDHNSA-N 2 1 304.438 2.031 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001268124866 1080091997 /nfs/dbraw/zinc/09/19/97/1080091997.db2.gz ZCAMTWXKFVRKCU-AEFFLSMTSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001485311820 1080131539 /nfs/dbraw/zinc/13/15/39/1080131539.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCC1 ZINC001485311820 1080131545 /nfs/dbraw/zinc/13/15/45/1080131545.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCC1 ZINC001485311820 1080131561 /nfs/dbraw/zinc/13/15/61/1080131561.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC001485311820 1080131565 /nfs/dbraw/zinc/13/15/65/1080131565.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001485311820 1080131570 /nfs/dbraw/zinc/13/15/70/1080131570.db2.gz BUQKQEAESPHIRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001485449045 1080212904 /nfs/dbraw/zinc/21/29/04/1080212904.db2.gz DUKGNUJEVNLDGY-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268236201 1080217622 /nfs/dbraw/zinc/21/76/22/1080217622.db2.gz CWPFOPSVBSJIOW-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268236201 1080217628 /nfs/dbraw/zinc/21/76/28/1080217628.db2.gz CWPFOPSVBSJIOW-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001485481544 1080246928 /nfs/dbraw/zinc/24/69/28/1080246928.db2.gz CVNPMRXSQORADV-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001485592892 1080320777 /nfs/dbraw/zinc/32/07/77/1080320777.db2.gz CSYRHSUEPCSJRI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485592892 1080320780 /nfs/dbraw/zinc/32/07/80/1080320780.db2.gz CSYRHSUEPCSJRI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485592892 1080320787 /nfs/dbraw/zinc/32/07/87/1080320787.db2.gz CSYRHSUEPCSJRI-FJIDUMEYSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556191 1080493945 /nfs/dbraw/zinc/49/39/45/1080493945.db2.gz QUEQCOFZAHTFFB-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001481900298 1080590868 /nfs/dbraw/zinc/59/08/68/1080590868.db2.gz SYUNKLWEFJWQEB-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662790315 1080655443 /nfs/dbraw/zinc/65/54/43/1080655443.db2.gz GKWOWYIXEOZUOK-JKSUJKDBSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001663124209 1080706678 /nfs/dbraw/zinc/70/66/78/1080706678.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001663124209 1080706683 /nfs/dbraw/zinc/70/66/83/1080706683.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001663124209 1080706686 /nfs/dbraw/zinc/70/66/86/1080706686.db2.gz UDVUMZBRVZDSGZ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664685513 1080942840 /nfs/dbraw/zinc/94/28/40/1080942840.db2.gz CFXHMEBZSIODMN-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001667627372 1081267908 /nfs/dbraw/zinc/26/79/08/1081267908.db2.gz REIBGETXFQGBRZ-UHFFFAOYSA-N 2 1 317.477 2.371 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668555922 1081367326 /nfs/dbraw/zinc/36/73/26/1081367326.db2.gz ZKDAKTYQJCLVOW-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001270087669 1081447131 /nfs/dbraw/zinc/44/71/31/1081447131.db2.gz CZDPKCXQRNKMEN-IYBDPMFKSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001672424356 1081596766 /nfs/dbraw/zinc/59/67/66/1081596766.db2.gz FBVNQPKRDRDYSG-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001672424356 1081596773 /nfs/dbraw/zinc/59/67/73/1081596773.db2.gz FBVNQPKRDRDYSG-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001672424356 1081596780 /nfs/dbraw/zinc/59/67/80/1081596780.db2.gz FBVNQPKRDRDYSG-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001270987005 1081867167 /nfs/dbraw/zinc/86/71/67/1081867167.db2.gz NMQINGLAGWZMFT-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266251635 1081917430 /nfs/dbraw/zinc/91/74/30/1081917430.db2.gz DTNNUOAYKIEJPF-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266545376 1082140549 /nfs/dbraw/zinc/14/05/49/1082140549.db2.gz NSWAFOWLHMCEKN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001671569754 1082208240 /nfs/dbraw/zinc/20/82/40/1082208240.db2.gz MZJRCGMSZPGFGN-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266859955 1082403719 /nfs/dbraw/zinc/40/37/19/1082403719.db2.gz UCLWBFSFTKMCIP-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266859955 1082403721 /nfs/dbraw/zinc/40/37/21/1082403721.db2.gz UCLWBFSFTKMCIP-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266860109 1082404347 /nfs/dbraw/zinc/40/43/47/1082404347.db2.gz XLCFZNZMRXNQLG-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001272179172 1082621218 /nfs/dbraw/zinc/62/12/18/1082621218.db2.gz ZFGBRYCZBWZGLK-UHFFFAOYSA-N 2 1 303.450 2.328 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001496869326 1083059152 /nfs/dbraw/zinc/05/91/52/1083059152.db2.gz PQEVOVVSILSPEH-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001496869326 1083059156 /nfs/dbraw/zinc/05/91/56/1083059156.db2.gz PQEVOVVSILSPEH-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001496869326 1083059160 /nfs/dbraw/zinc/05/91/60/1083059160.db2.gz PQEVOVVSILSPEH-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107596567 1083503338 /nfs/dbraw/zinc/50/33/38/1083503338.db2.gz IJWJNZFIFPDEIT-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107596567 1083503344 /nfs/dbraw/zinc/50/33/44/1083503344.db2.gz IJWJNZFIFPDEIT-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107596567 1083503348 /nfs/dbraw/zinc/50/33/48/1083503348.db2.gz IJWJNZFIFPDEIT-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001276839604 1083640406 /nfs/dbraw/zinc/64/04/06/1083640406.db2.gz KTMQMLBGWCWDIZ-OKZBNKHCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001276875899 1083657560 /nfs/dbraw/zinc/65/75/60/1083657560.db2.gz QELQGYOCWMSEQR-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001276875899 1083657567 /nfs/dbraw/zinc/65/75/67/1083657567.db2.gz QELQGYOCWMSEQR-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001276875899 1083657585 /nfs/dbraw/zinc/65/75/85/1083657585.db2.gz QELQGYOCWMSEQR-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001276875899 1083657610 /nfs/dbraw/zinc/65/76/10/1083657610.db2.gz QELQGYOCWMSEQR-INIZCTEOSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCCC1 ZINC001277375477 1083934210 /nfs/dbraw/zinc/93/42/10/1083934210.db2.gz CWEXAGCHYXMKOJ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298169 1084222441 /nfs/dbraw/zinc/22/24/41/1084222441.db2.gz UTXFLZFDEAVJQO-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491315000 1084229662 /nfs/dbraw/zinc/22/96/62/1084229662.db2.gz VMPAXZIWRWDFPN-IECFSIQFSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491315000 1084229673 /nfs/dbraw/zinc/22/96/73/1084229673.db2.gz VMPAXZIWRWDFPN-IECFSIQFSA-N 2 1 319.493 2.260 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235340327 1084398408 /nfs/dbraw/zinc/39/84/08/1084398408.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235340327 1084398416 /nfs/dbraw/zinc/39/84/16/1084398416.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235340327 1084398429 /nfs/dbraw/zinc/39/84/29/1084398429.db2.gz ZKMVBFSBRXERRW-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512788 1084451523 /nfs/dbraw/zinc/45/15/23/1084451523.db2.gz KMJKZZPCDQZXKO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512788 1084451529 /nfs/dbraw/zinc/45/15/29/1084451529.db2.gz KMJKZZPCDQZXKO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512788 1084451530 /nfs/dbraw/zinc/45/15/30/1084451530.db2.gz KMJKZZPCDQZXKO-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494135444 1085135324 /nfs/dbraw/zinc/13/53/24/1085135324.db2.gz PZNNTMSGQKPIQE-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135444 1085135338 /nfs/dbraw/zinc/13/53/38/1085135338.db2.gz PZNNTMSGQKPIQE-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494135444 1085135344 /nfs/dbraw/zinc/13/53/44/1085135344.db2.gz PZNNTMSGQKPIQE-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000964377263 1085195100 /nfs/dbraw/zinc/19/51/00/1085195100.db2.gz FCWNWWPSSYYJKL-NFOMZHRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400326 1085286250 /nfs/dbraw/zinc/28/62/50/1085286250.db2.gz VJBDQQPZXQKSIA-OAGGEKHMSA-N 2 1 309.498 2.413 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001486449593 1085321193 /nfs/dbraw/zinc/32/11/93/1085321193.db2.gz ZKLRHPKQSLENLP-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933111 1085700304 /nfs/dbraw/zinc/70/03/04/1085700304.db2.gz NSXZLMVNOKZMQG-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075280 1085780162 /nfs/dbraw/zinc/78/01/62/1085780162.db2.gz KEUIACUVOFUYQP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416434 1086448244 /nfs/dbraw/zinc/44/82/44/1086448244.db2.gz LHQQKCRSYZSGBH-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144799 1086807794 /nfs/dbraw/zinc/80/77/94/1086807794.db2.gz SQNFUSDRULYZOJ-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273145119 1086867455 /nfs/dbraw/zinc/86/74/55/1086867455.db2.gz UUPOKHNUBQCFIR-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145119 1086867468 /nfs/dbraw/zinc/86/74/68/1086867468.db2.gz UUPOKHNUBQCFIR-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273145119 1086867479 /nfs/dbraw/zinc/86/74/79/1086867479.db2.gz UUPOKHNUBQCFIR-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000957870873 1088675141 /nfs/dbraw/zinc/67/51/41/1088675141.db2.gz ZCMXNRFORDOIGZ-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723402 1090410779 /nfs/dbraw/zinc/41/07/79/1090410779.db2.gz GEHNBDVKZUMVRN-QZTJIDSGSA-N 2 1 313.445 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852933 1090476982 /nfs/dbraw/zinc/47/69/82/1090476982.db2.gz UFSSWOHSRZZOMH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852933 1090476985 /nfs/dbraw/zinc/47/69/85/1090476985.db2.gz UFSSWOHSRZZOMH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852933 1090476986 /nfs/dbraw/zinc/47/69/86/1090476986.db2.gz UFSSWOHSRZZOMH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049130 1090615072 /nfs/dbraw/zinc/61/50/72/1090615072.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049130 1090615077 /nfs/dbraw/zinc/61/50/77/1090615077.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049130 1090615081 /nfs/dbraw/zinc/61/50/81/1090615081.db2.gz CXQHOQGVVRKNNQ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001274368692 1091210182 /nfs/dbraw/zinc/21/01/82/1091210182.db2.gz UAALJGJCOYMUSZ-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001273426636 1091349287 /nfs/dbraw/zinc/34/92/87/1091349287.db2.gz CKDAAJSPQLYKOA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001273426636 1091349300 /nfs/dbraw/zinc/34/93/00/1091349300.db2.gz CKDAAJSPQLYKOA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001273426636 1091349312 /nfs/dbraw/zinc/34/93/12/1091349312.db2.gz CKDAAJSPQLYKOA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001276040993 1091466344 /nfs/dbraw/zinc/46/63/44/1091466344.db2.gz URDNHIBHRWVSSJ-IBGZPJMESA-N 2 1 323.525 2.461 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001276070855 1091508053 /nfs/dbraw/zinc/50/80/53/1091508053.db2.gz OJNZTSBYRLMBJX-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001273445292 1091768904 /nfs/dbraw/zinc/76/89/04/1091768904.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445292 1091768912 /nfs/dbraw/zinc/76/89/12/1091768912.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445292 1091768921 /nfs/dbraw/zinc/76/89/21/1091768921.db2.gz LJOAXWURTIISFX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674450 1091877672 /nfs/dbraw/zinc/87/76/72/1091877672.db2.gz XXIVAEORTRURDX-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628946 1091924400 /nfs/dbraw/zinc/92/44/00/1091924400.db2.gz IDKMKUGSEFYXIR-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628946 1091924402 /nfs/dbraw/zinc/92/44/02/1091924402.db2.gz IDKMKUGSEFYXIR-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653160 1091951087 /nfs/dbraw/zinc/95/10/87/1091951087.db2.gz CGPXRPKDWAVVIK-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653160 1091951095 /nfs/dbraw/zinc/95/10/95/1091951095.db2.gz CGPXRPKDWAVVIK-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(Cl)CN1CCC[C@H](N(C)C(=O)Cc2cnc[nH]2)CC1 ZINC000948812139 1091951830 /nfs/dbraw/zinc/95/18/30/1091951830.db2.gz HFRISRRFUXLADJ-AWEZNQCLSA-N 2 1 310.829 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2cnc[nH]2)CC1 ZINC000948811919 1091951958 /nfs/dbraw/zinc/95/19/58/1091951958.db2.gz BHTQWASZHCFYAT-INIZCTEOSA-N 2 1 304.438 2.231 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493163229 1093279124 /nfs/dbraw/zinc/27/91/24/1093279124.db2.gz UDRXZVDKGINXNZ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001490347601 1093296220 /nfs/dbraw/zinc/29/62/20/1093296220.db2.gz NKMZDIQIBPFGEP-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001490347601 1093296225 /nfs/dbraw/zinc/29/62/25/1093296225.db2.gz NKMZDIQIBPFGEP-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001490347601 1093296230 /nfs/dbraw/zinc/29/62/30/1093296230.db2.gz NKMZDIQIBPFGEP-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001490425237 1093375876 /nfs/dbraw/zinc/37/58/76/1093375876.db2.gz QCKKNDSINFQHNM-UHFFFAOYSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001490425237 1093375880 /nfs/dbraw/zinc/37/58/80/1093375880.db2.gz QCKKNDSINFQHNM-UHFFFAOYSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001274124936 1093808944 /nfs/dbraw/zinc/80/89/44/1093808944.db2.gz LIZRWVXJCRUKOM-FDRQBBGKSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001480324633 1151759007 /nfs/dbraw/zinc/75/90/07/1151759007.db2.gz ROUSGDNAMFYMPO-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318852598 1140437742 /nfs/dbraw/zinc/43/77/42/1140437742.db2.gz XHELIJBOLBEJCO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319649032 1140640088 /nfs/dbraw/zinc/64/00/88/1140640088.db2.gz UPDOPMGUSWWPSQ-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320827083 1140941112 /nfs/dbraw/zinc/94/11/12/1140941112.db2.gz SDSVPPDFFJVCTM-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH2+]CC1)[C@H]2CC ZINC001246702395 1141039923 /nfs/dbraw/zinc/03/99/23/1141039923.db2.gz GELBJEZUCDZMRK-WMZOPIPTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246746348 1141050812 /nfs/dbraw/zinc/05/08/12/1141050812.db2.gz JNKQGSIZUHOOBI-QRXAFDDPSA-N 2 1 320.477 2.343 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246746348 1141050821 /nfs/dbraw/zinc/05/08/21/1141050821.db2.gz JNKQGSIZUHOOBI-QRXAFDDPSA-N 2 1 320.477 2.343 20 30 DEEDMP N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246857355 1141091091 /nfs/dbraw/zinc/09/10/91/1141091091.db2.gz GZOATBGAHCDJDN-MRXNPFEDSA-N 2 1 318.852 2.150 20 30 DEEDMP N#CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246857355 1141091101 /nfs/dbraw/zinc/09/11/01/1141091101.db2.gz GZOATBGAHCDJDN-MRXNPFEDSA-N 2 1 318.852 2.150 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001323241092 1141831587 /nfs/dbraw/zinc/83/15/87/1141831587.db2.gz FGEISGYBDULYIT-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001323241092 1141831588 /nfs/dbraw/zinc/83/15/88/1141831588.db2.gz FGEISGYBDULYIT-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001323980892 1141941088 /nfs/dbraw/zinc/94/10/88/1141941088.db2.gz HTPMVIROHJFZHK-HNNXBMFYSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001324273034 1142045380 /nfs/dbraw/zinc/04/53/80/1142045380.db2.gz GNNUAXHKRDYZJP-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001341731497 1143685090 /nfs/dbraw/zinc/68/50/90/1143685090.db2.gz BVSVBUHUBWNTQR-NJAFHUGGSA-N 2 1 315.461 2.307 20 30 DEEDMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001256198593 1143834531 /nfs/dbraw/zinc/83/45/31/1143834531.db2.gz ORQQITHTQVBZNB-UHFFFAOYSA-N 2 1 312.461 2.206 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001264380955 1144521449 /nfs/dbraw/zinc/52/14/49/1144521449.db2.gz UITPFWMMZZPLMH-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001264560217 1144566932 /nfs/dbraw/zinc/56/69/32/1144566932.db2.gz JFGRBZHHZJGUEC-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001265046890 1144632023 /nfs/dbraw/zinc/63/20/23/1144632023.db2.gz UILZWVDOVQAKRH-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001265046890 1144632027 /nfs/dbraw/zinc/63/20/27/1144632027.db2.gz UILZWVDOVQAKRH-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001265046890 1144632033 /nfs/dbraw/zinc/63/20/33/1144632033.db2.gz UILZWVDOVQAKRH-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001265046890 1144632035 /nfs/dbraw/zinc/63/20/35/1144632035.db2.gz UILZWVDOVQAKRH-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001265435682 1144704020 /nfs/dbraw/zinc/70/40/20/1144704020.db2.gz PLWFUZCSKRHKSL-LUNNPTDRSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC/C=C\CCC)C1 ZINC001265435682 1144704021 /nfs/dbraw/zinc/70/40/21/1144704021.db2.gz PLWFUZCSKRHKSL-LUNNPTDRSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266219736 1144815481 /nfs/dbraw/zinc/81/54/81/1144815481.db2.gz IYDFDWIPMLGKKM-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576226 1144824903 /nfs/dbraw/zinc/82/49/03/1144824903.db2.gz LTPJQLHKZPHMDL-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001279576226 1144824904 /nfs/dbraw/zinc/82/49/04/1144824904.db2.gz LTPJQLHKZPHMDL-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001279576226 1144824906 /nfs/dbraw/zinc/82/49/06/1144824906.db2.gz LTPJQLHKZPHMDL-DLBZAZTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001316602722 1144835300 /nfs/dbraw/zinc/83/53/00/1144835300.db2.gz NLZKTSNYGIHWTN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001316602722 1144835301 /nfs/dbraw/zinc/83/53/01/1144835301.db2.gz NLZKTSNYGIHWTN-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281035504 1144869509 /nfs/dbraw/zinc/86/95/09/1144869509.db2.gz CULXTLAYONUULQ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281559638 1144897296 /nfs/dbraw/zinc/89/72/96/1144897296.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281559638 1144897297 /nfs/dbraw/zinc/89/72/97/1144897297.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001281559638 1144897298 /nfs/dbraw/zinc/89/72/98/1144897298.db2.gz XYXCFRFOZFXZCS-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001282084819 1144967018 /nfs/dbraw/zinc/96/70/18/1144967018.db2.gz UHKPBQILIOFFMR-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001282084819 1144967028 /nfs/dbraw/zinc/96/70/28/1144967028.db2.gz UHKPBQILIOFFMR-UHFFFAOYSA-N 2 1 315.461 2.179 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282844625 1145175506 /nfs/dbraw/zinc/17/55/06/1145175506.db2.gz KDWDDQNPCISNEF-ZJPYXAASSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001282844625 1145175507 /nfs/dbraw/zinc/17/55/07/1145175507.db2.gz KDWDDQNPCISNEF-ZJPYXAASSA-N 2 1 321.509 2.345 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001282844625 1145175509 /nfs/dbraw/zinc/17/55/09/1145175509.db2.gz KDWDDQNPCISNEF-ZJPYXAASSA-N 2 1 321.509 2.345 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001284057610 1145778888 /nfs/dbraw/zinc/77/88/88/1145778888.db2.gz NHBZKSZNLOTZIQ-FUHWJXTLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284057610 1145778892 /nfs/dbraw/zinc/77/88/92/1145778892.db2.gz NHBZKSZNLOTZIQ-FUHWJXTLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284057610 1145778895 /nfs/dbraw/zinc/77/88/95/1145778895.db2.gz NHBZKSZNLOTZIQ-FUHWJXTLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1(C)C ZINC001284346882 1145840234 /nfs/dbraw/zinc/84/02/34/1145840234.db2.gz KBZFHNLMAXPIFO-APWZRJJASA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)CC[NH+]1CCCCC1)C(C)C ZINC001284558924 1145870833 /nfs/dbraw/zinc/87/08/33/1145870833.db2.gz PEOJYBHRIGPZJS-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491950471 1147015640 /nfs/dbraw/zinc/01/56/40/1147015640.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491950471 1147015644 /nfs/dbraw/zinc/01/56/44/1147015644.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001491950471 1147015649 /nfs/dbraw/zinc/01/56/49/1147015649.db2.gz AOHLYSYOOPMDRZ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491964812 1147023868 /nfs/dbraw/zinc/02/38/68/1147023868.db2.gz BRTGQEIVLBCBRX-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492154290 1147102330 /nfs/dbraw/zinc/10/23/30/1147102330.db2.gz KJEMGOMTEBANJV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492154290 1147102333 /nfs/dbraw/zinc/10/23/33/1147102333.db2.gz KJEMGOMTEBANJV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001492154290 1147102341 /nfs/dbraw/zinc/10/23/41/1147102341.db2.gz KJEMGOMTEBANJV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001316925795 1147632946 /nfs/dbraw/zinc/63/29/46/1147632946.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001316925795 1147632948 /nfs/dbraw/zinc/63/29/48/1147632948.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001316925795 1147632950 /nfs/dbraw/zinc/63/29/50/1147632950.db2.gz XXCJVWJCMZNMOJ-GOSISDBHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947328 1147637247 /nfs/dbraw/zinc/63/72/47/1147637247.db2.gz KEZIBXPYQQKHFQ-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316994394 1147645755 /nfs/dbraw/zinc/64/57/55/1147645755.db2.gz HXZBBHKOQPIFEO-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317018037 1147648540 /nfs/dbraw/zinc/64/85/40/1147648540.db2.gz XTGODFKSGGIPQO-IAGOWNOFSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317024055 1147649515 /nfs/dbraw/zinc/64/95/15/1147649515.db2.gz CYGNSUGGWCGNTK-SJORKVTESA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001317186994 1147673157 /nfs/dbraw/zinc/67/31/57/1147673157.db2.gz CHWMFAYSCVWPFT-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317382532 1147699867 /nfs/dbraw/zinc/69/98/67/1147699867.db2.gz YOCGYGXBQQHPCF-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317422629 1147704940 /nfs/dbraw/zinc/70/49/40/1147704940.db2.gz HTQISNKBYIOQIM-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422629 1147704942 /nfs/dbraw/zinc/70/49/42/1147704942.db2.gz HTQISNKBYIOQIM-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422629 1147704945 /nfs/dbraw/zinc/70/49/45/1147704945.db2.gz HTQISNKBYIOQIM-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001317704552 1147745807 /nfs/dbraw/zinc/74/58/07/1147745807.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001317704552 1147745809 /nfs/dbraw/zinc/74/58/09/1147745809.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001317704552 1147745810 /nfs/dbraw/zinc/74/58/10/1147745810.db2.gz FBWGLUJDDOIWCO-SFHVURJKSA-N 2 1 321.509 2.489 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001318216325 1147799464 /nfs/dbraw/zinc/79/94/64/1147799464.db2.gz MJTRWQPTVKXUJS-ULQDDVLXSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318362522 1147815920 /nfs/dbraw/zinc/81/59/20/1147815920.db2.gz BIGRSTJETUJVDQ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675707 1147829878 /nfs/dbraw/zinc/82/98/78/1147829878.db2.gz ZFYSZPSFMDHZAH-WMLDXEAASA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675707 1147829881 /nfs/dbraw/zinc/82/98/81/1147829881.db2.gz ZFYSZPSFMDHZAH-WMLDXEAASA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324943143 1147860571 /nfs/dbraw/zinc/86/05/71/1147860571.db2.gz DPTHFBPGAARGAH-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324943143 1147860576 /nfs/dbraw/zinc/86/05/76/1147860576.db2.gz DPTHFBPGAARGAH-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326603290 1148159650 /nfs/dbraw/zinc/15/96/50/1148159650.db2.gz KEHFCAGTSZTIPL-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001326899380 1148284920 /nfs/dbraw/zinc/28/49/20/1148284920.db2.gz OASHIFZTLVLXRZ-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000330845945 529760218 /nfs/dbraw/zinc/76/02/18/529760218.db2.gz OSBNGYTXKDLHTR-LSDHHAIUSA-N 2 1 321.469 2.337 20 30 DEEDMP CNC(NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)=[NH+]C ZINC000264095799 529836585 /nfs/dbraw/zinc/83/65/85/529836585.db2.gz MKIQFAYRVQHOOC-OAHLLOKOSA-N 2 1 304.438 2.017 20 30 DEEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061971 366031773 /nfs/dbraw/zinc/03/17/73/366031773.db2.gz BENJLJSOIRUVJZ-OAHLLOKOSA-N 2 1 303.450 2.261 20 30 DEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240446 /nfs/dbraw/zinc/24/04/46/191240446.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240448 /nfs/dbraw/zinc/24/04/48/191240448.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072858153 191240451 /nfs/dbraw/zinc/24/04/51/191240451.db2.gz GWKSDNANYYBWPN-HNNXBMFYSA-N 2 1 314.433 2.160 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(C#N)cc1 ZINC000595388248 358437241 /nfs/dbraw/zinc/43/72/41/358437241.db2.gz DLDIUDQMTCHEKL-QRVBRYPASA-N 2 1 313.445 2.284 20 30 DEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000595896437 358574924 /nfs/dbraw/zinc/57/49/24/358574924.db2.gz OOGGOAAWJVAZBB-GBESFXJTSA-N 2 1 313.445 2.319 20 30 DEEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598724297 359306439 /nfs/dbraw/zinc/30/64/39/359306439.db2.gz NTXDSYJMGBDXAA-ZWKOTPCHSA-N 2 1 315.461 2.399 20 30 DEEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC000443986466 238132958 /nfs/dbraw/zinc/13/29/58/238132958.db2.gz IZERWLNFOAMQSS-MRXNPFEDSA-N 2 1 301.434 2.457 20 30 DEEDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390494 361589291 /nfs/dbraw/zinc/58/92/91/361589291.db2.gz DYOVVLFHEIHIFO-SFHVURJKSA-N 2 1 301.434 2.494 20 30 DEEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390493 361589320 /nfs/dbraw/zinc/58/93/20/361589320.db2.gz DYOVVLFHEIHIFO-GOSISDBHSA-N 2 1 301.434 2.494 20 30 DEEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000271812521 209237687 /nfs/dbraw/zinc/23/76/87/209237687.db2.gz BBCMCMDZBXWWIX-HNNXBMFYSA-N 2 1 300.450 2.062 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623579211 365088116 /nfs/dbraw/zinc/08/81/16/365088116.db2.gz RPJYRCCJTXZNRX-INIZCTEOSA-N 2 1 322.497 2.058 20 30 DEEDMP C=CCOc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105477024 194106615 /nfs/dbraw/zinc/10/66/15/194106615.db2.gz KZEHGSKUZCOQGS-UHFFFAOYSA-N 2 1 317.477 2.369 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)CCCC)CC1 ZINC000112453752 401745735 /nfs/dbraw/zinc/74/57/35/401745735.db2.gz LUZJHMQANKRYBN-UHFFFAOYSA-N 2 1 310.486 2.058 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000121044385 402011820 /nfs/dbraw/zinc/01/18/20/402011820.db2.gz CAMPXXMLSSPWIO-WMZOPIPTSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000121434577 402035577 /nfs/dbraw/zinc/03/55/77/402035577.db2.gz UOYALRWKIQVPRE-UHFFFAOYSA-N 2 1 315.461 2.193 20 30 DEEDMP C=CC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000121434577 402035579 /nfs/dbraw/zinc/03/55/79/402035579.db2.gz UOYALRWKIQVPRE-UHFFFAOYSA-N 2 1 315.461 2.193 20 30 DEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000069680069 402238641 /nfs/dbraw/zinc/23/86/41/402238641.db2.gz MXKYPIUPYYSRFV-UHFFFAOYSA-N 2 1 300.450 2.066 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184755364 402297947 /nfs/dbraw/zinc/29/79/47/402297947.db2.gz XQXNESIQWYRJQK-HZPDHXFCSA-N 2 1 315.461 2.035 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1csc(C[NH3+])n1)C(C)C ZINC000178706784 402528733 /nfs/dbraw/zinc/52/87/33/402528733.db2.gz APMAZAGCLPUVFC-CQSZACIVSA-N 2 1 322.478 2.030 20 30 DEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719553 /nfs/dbraw/zinc/71/95/53/402719553.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719555 /nfs/dbraw/zinc/71/95/55/402719555.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922708 402719557 /nfs/dbraw/zinc/71/95/57/402719557.db2.gz PLJYPSFRHACORN-MRXNPFEDSA-N 2 1 314.433 2.160 20 30 DEEDMP C[N@H+](CC#Cc1cccc(Cl)c1)CCCN1CC[NH+](C)CC1 ZINC000182965239 402729931 /nfs/dbraw/zinc/72/99/31/402729931.db2.gz KAXNUUIXDSJAQX-UHFFFAOYSA-N 2 1 319.880 2.261 20 30 DEEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000271817306 402884375 /nfs/dbraw/zinc/88/43/75/402884375.db2.gz BWDZUXBZDQCWRE-QAPCUYQASA-N 2 1 301.434 2.446 20 30 DEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657992 403103895 /nfs/dbraw/zinc/10/38/95/403103895.db2.gz HSXQNKHSZIPBJS-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657992 403103897 /nfs/dbraw/zinc/10/38/97/403103897.db2.gz HSXQNKHSZIPBJS-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657992 403103899 /nfs/dbraw/zinc/10/38/99/403103899.db2.gz HSXQNKHSZIPBJS-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268657992 403103900 /nfs/dbraw/zinc/10/39/00/403103900.db2.gz HSXQNKHSZIPBJS-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP C=CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000342729385 403325685 /nfs/dbraw/zinc/32/56/85/403325685.db2.gz DQRVKPSNNODPJY-UHFFFAOYSA-N 2 1 315.461 2.407 20 30 DEEDMP CC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000330217391 404589621 /nfs/dbraw/zinc/58/96/21/404589621.db2.gz NVQFYNMCYZOPSR-MRXNPFEDSA-N 2 1 319.453 2.054 20 30 DEEDMP CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000330217391 404589623 /nfs/dbraw/zinc/58/96/23/404589623.db2.gz NVQFYNMCYZOPSR-MRXNPFEDSA-N 2 1 319.453 2.054 20 30 DEEDMP CC[NH+]1CCC([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2C)CC1 ZINC000330217391 404589624 /nfs/dbraw/zinc/58/96/24/404589624.db2.gz NVQFYNMCYZOPSR-MRXNPFEDSA-N 2 1 319.453 2.054 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000352890748 404683427 /nfs/dbraw/zinc/68/34/27/404683427.db2.gz AERQKOSYCPZNGP-UHFFFAOYSA-N 2 1 317.408 2.242 20 30 DEEDMP C=CC[C@@H]1[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760257 404726328 /nfs/dbraw/zinc/72/63/28/404726328.db2.gz QDGAUTAKXWCVIY-CVEARBPZSA-N 2 1 307.482 2.250 20 30 DEEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCCC#N)CC2)C[C@@H](C)O1 ZINC000358874140 404778419 /nfs/dbraw/zinc/77/84/19/404778419.db2.gz QGWCYXWHISPSEU-IAGOWNOFSA-N 2 1 323.481 2.270 20 30 DEEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)CCC#N)CC1 ZINC000353295143 404794643 /nfs/dbraw/zinc/79/46/43/404794643.db2.gz LRAVVVAALNBJSV-UHFFFAOYSA-N 2 1 322.497 2.192 20 30 DEEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000641767690 406887597 /nfs/dbraw/zinc/88/75/97/406887597.db2.gz OFNDFPCLTXHBPQ-IBGZPJMESA-N 2 1 318.436 2.197 20 30 DEEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1cccc2c1CCCC2 ZINC000187856509 225001816 /nfs/dbraw/zinc/00/18/16/225001816.db2.gz FUHIZGFFKXNIBW-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1cccc2c1CCCC2 ZINC000187856509 225001820 /nfs/dbraw/zinc/00/18/20/225001820.db2.gz FUHIZGFFKXNIBW-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP COc1cccc([C@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)c1 ZINC000264152033 225311154 /nfs/dbraw/zinc/31/11/54/225311154.db2.gz ZMIIVZJEEOCJEK-KRWDZBQOSA-N 2 1 318.465 2.392 20 30 DEEDMP N#CCCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339200901 226183059 /nfs/dbraw/zinc/18/30/59/226183059.db2.gz KSCPEYMBCJZCOX-OALUTQOASA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200901 226183062 /nfs/dbraw/zinc/18/30/62/226183062.db2.gz KSCPEYMBCJZCOX-OALUTQOASA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000339200901 226183064 /nfs/dbraw/zinc/18/30/64/226183064.db2.gz KSCPEYMBCJZCOX-OALUTQOASA-N 2 1 313.445 2.371 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940581 425692709 /nfs/dbraw/zinc/69/27/09/425692709.db2.gz CXQKSDCBFWWKLI-HZPDHXFCSA-N 2 1 303.454 2.066 20 30 DEEDMP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662730906 425724024 /nfs/dbraw/zinc/72/40/24/425724024.db2.gz URQGBHUUJWGWHU-APWZRJJASA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922366 782048745 /nfs/dbraw/zinc/04/87/45/782048745.db2.gz HFRXWCMHTLYSMU-PBHICJAKSA-N 2 1 301.434 2.127 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)C1=O ZINC000348302968 276897637 /nfs/dbraw/zinc/89/76/37/276897637.db2.gz OFHDRSXRQTVLAJ-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001329763910 1148990406 /nfs/dbraw/zinc/99/04/06/1148990406.db2.gz AVEGSICKQSUQPH-MRXNPFEDSA-N 2 1 306.454 2.230 20 30 DEEDMP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)N1 ZINC000261556221 341360461 /nfs/dbraw/zinc/36/04/61/341360461.db2.gz VSRMQJHQOZAURP-RDJZCZTQSA-N 2 1 300.450 2.226 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001329935531 1149019064 /nfs/dbraw/zinc/01/90/64/1149019064.db2.gz DLSXYOUOGAZHEU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001329935531 1149019069 /nfs/dbraw/zinc/01/90/69/1149019069.db2.gz DLSXYOUOGAZHEU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001329939505 1149020415 /nfs/dbraw/zinc/02/04/15/1149020415.db2.gz UCPRSZUIQHFDIY-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001437333677 1179731542 /nfs/dbraw/zinc/73/15/42/1179731542.db2.gz QBVIWGJXBUFXQQ-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261749008 526369752 /nfs/dbraw/zinc/36/97/52/526369752.db2.gz LOYMJTKRTXRDHX-XHSDSOJGSA-N 2 1 324.513 2.085 20 30 DEEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCc2ccccc21 ZINC000262805331 526374387 /nfs/dbraw/zinc/37/43/87/526374387.db2.gz SLDGEQDWKKAQNN-KRWDZBQOSA-N 2 1 318.490 2.062 20 30 DEEDMP C=CC[C@H]1[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000338374365 527226083 /nfs/dbraw/zinc/22/60/83/527226083.db2.gz UGEIPYKJSKWGTC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[C@H]1[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000338374365 527226086 /nfs/dbraw/zinc/22/60/86/527226086.db2.gz UGEIPYKJSKWGTC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C#Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000377656265 527433663 /nfs/dbraw/zinc/43/36/63/527433663.db2.gz RVDMMUDUVNPGRY-PXNSSMCTSA-N 2 1 311.473 2.126 20 30 DEEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264093767 528449975 /nfs/dbraw/zinc/44/99/75/528449975.db2.gz LXWHXQIFPIRBBE-OAHLLOKOSA-N 2 1 318.465 2.112 20 30 DEEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264093767 528449981 /nfs/dbraw/zinc/44/99/81/528449981.db2.gz LXWHXQIFPIRBBE-OAHLLOKOSA-N 2 1 318.465 2.112 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090632 529349995 /nfs/dbraw/zinc/34/99/95/529349995.db2.gz KVYYNEDHVRDJLU-NVXWUHKLSA-N 2 1 302.466 2.254 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327685863 1148622628 /nfs/dbraw/zinc/62/26/28/1148622628.db2.gz SXRJMBPMGMQJIA-SFHVURJKSA-N 2 1 315.461 2.391 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327685863 1148622640 /nfs/dbraw/zinc/62/26/40/1148622640.db2.gz SXRJMBPMGMQJIA-SFHVURJKSA-N 2 1 315.461 2.391 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[N@@H+](C)CC)CCC[C@H]12 ZINC001382354121 1153432758 /nfs/dbraw/zinc/43/27/58/1153432758.db2.gz ZRSITZOPVFCMJL-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001382354121 1153432760 /nfs/dbraw/zinc/43/27/60/1153432760.db2.gz ZRSITZOPVFCMJL-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001382354121 1153432764 /nfs/dbraw/zinc/43/27/64/1153432764.db2.gz ZRSITZOPVFCMJL-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001382354121 1153432766 /nfs/dbraw/zinc/43/27/66/1153432766.db2.gz ZRSITZOPVFCMJL-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489862 625294438 /nfs/dbraw/zinc/29/44/38/625294438.db2.gz MKEWLGHYVZIJSF-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023573171 625330455 /nfs/dbraw/zinc/33/04/55/625330455.db2.gz ULYYKKIUZHEKCP-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459488 625452883 /nfs/dbraw/zinc/45/28/83/625452883.db2.gz OKHPGJCAMPFEPY-LSDHHAIUSA-N 2 1 324.428 2.417 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486836 625478336 /nfs/dbraw/zinc/47/83/36/625478336.db2.gz XOUMGKLIJKURNF-JKSUJKDBSA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651852 634385561 /nfs/dbraw/zinc/38/55/61/634385561.db2.gz OMZRDTXXGUWKCJ-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027651852 634385565 /nfs/dbraw/zinc/38/55/65/634385565.db2.gz OMZRDTXXGUWKCJ-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027651852 634385567 /nfs/dbraw/zinc/38/55/67/634385567.db2.gz OMZRDTXXGUWKCJ-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027651852 634385571 /nfs/dbraw/zinc/38/55/71/634385571.db2.gz OMZRDTXXGUWKCJ-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000969793397 622923805 /nfs/dbraw/zinc/92/38/05/622923805.db2.gz OHNZWANUHQKTGX-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969793395 622924521 /nfs/dbraw/zinc/92/45/21/622924521.db2.gz OHNZWANUHQKTGX-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1CC([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000970223223 623345774 /nfs/dbraw/zinc/34/57/74/623345774.db2.gz KRMLWVZOXSXGMM-CQSZACIVSA-N 2 1 310.401 2.108 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971626787 624200809 /nfs/dbraw/zinc/20/08/09/624200809.db2.gz BDQCTIYHCJLVSB-AWEZNQCLSA-N 2 1 307.463 2.142 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001022201156 624497167 /nfs/dbraw/zinc/49/71/67/624497167.db2.gz FRBHCKUDNNPLSX-QLFBSQMISA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972177188 624878710 /nfs/dbraw/zinc/87/87/10/624878710.db2.gz PFYHTBLUNZIUPJ-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000972177188 624878713 /nfs/dbraw/zinc/87/87/13/624878713.db2.gz PFYHTBLUNZIUPJ-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177188 624878715 /nfs/dbraw/zinc/87/87/15/624878715.db2.gz PFYHTBLUNZIUPJ-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000972177188 624878719 /nfs/dbraw/zinc/87/87/19/624878719.db2.gz PFYHTBLUNZIUPJ-SOUVJXGZSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024811849 625064685 /nfs/dbraw/zinc/06/46/85/625064685.db2.gz BZGURQPXVGDCTN-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139780 625151419 /nfs/dbraw/zinc/15/14/19/625151419.db2.gz SCLAPGMCFISDJK-WKULXVSPSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998902653 634442177 /nfs/dbraw/zinc/44/21/77/634442177.db2.gz WLDFQXYEDLMODG-PREGVCBESA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497088 625272149 /nfs/dbraw/zinc/27/21/49/625272149.db2.gz ALZWRVYUNMVZSI-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497088 625272161 /nfs/dbraw/zinc/27/21/61/625272161.db2.gz ALZWRVYUNMVZSI-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497088 625272172 /nfs/dbraw/zinc/27/21/72/625272172.db2.gz ALZWRVYUNMVZSI-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497088 625272179 /nfs/dbraw/zinc/27/21/79/625272179.db2.gz ALZWRVYUNMVZSI-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024469516 625799862 /nfs/dbraw/zinc/79/98/62/625799862.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024469516 625799869 /nfs/dbraw/zinc/79/98/69/625799869.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024469516 625799873 /nfs/dbraw/zinc/79/98/73/625799873.db2.gz SBARDBMMEHPACM-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000238011 634812211 /nfs/dbraw/zinc/81/22/11/634812211.db2.gz WNSYAGNKBQOYCT-KRWDZBQOSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1(C)C ZINC000995983681 633153551 /nfs/dbraw/zinc/15/35/51/633153551.db2.gz HCAXPVWDBIMQPC-INIZCTEOSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686906 633235635 /nfs/dbraw/zinc/23/56/35/633235635.db2.gz ZBTPJQAAMAQXMC-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996667871 633339000 /nfs/dbraw/zinc/33/90/00/633339000.db2.gz FSVABWYEPFXZHG-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975048497 633398933 /nfs/dbraw/zinc/39/89/33/633398933.db2.gz IORFZUQSLVXIJF-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)CN2CCC[C@H]2C)C(C)(C)C1 ZINC000975048497 633398942 /nfs/dbraw/zinc/39/89/42/633398942.db2.gz IORFZUQSLVXIJF-ZIAGYGMSSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997613539 633899551 /nfs/dbraw/zinc/89/95/51/633899551.db2.gz JVICNZDOFFRHHE-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997617636 633901941 /nfs/dbraw/zinc/90/19/41/633901941.db2.gz JXNUGRKOZWHLHZ-HOCLYGCPSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977379838 633961971 /nfs/dbraw/zinc/96/19/71/633961971.db2.gz QQOORFZKZSOJAC-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977379838 633961976 /nfs/dbraw/zinc/96/19/76/633961976.db2.gz QQOORFZKZSOJAC-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977498791 634012663 /nfs/dbraw/zinc/01/26/63/634012663.db2.gz MZBORZFFZNMOIE-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977498791 634012667 /nfs/dbraw/zinc/01/26/67/634012667.db2.gz MZBORZFFZNMOIE-MRXNPFEDSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546516 634073806 /nfs/dbraw/zinc/07/38/06/634073806.db2.gz PXOUTWNQSWDQOI-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951660 634074198 /nfs/dbraw/zinc/07/41/98/634074198.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951660 634074204 /nfs/dbraw/zinc/07/42/04/634074204.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951660 634074209 /nfs/dbraw/zinc/07/42/09/634074209.db2.gz YNNNYQYAYOQNQS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977638378 634086632 /nfs/dbraw/zinc/08/66/32/634086632.db2.gz ITPNIICFXQHJAS-QGZVFWFLSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324428 635440051 /nfs/dbraw/zinc/44/00/51/635440051.db2.gz LNWSNDTXYBJVTG-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324428 635440055 /nfs/dbraw/zinc/44/00/55/635440055.db2.gz LNWSNDTXYBJVTG-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324428 635440058 /nfs/dbraw/zinc/44/00/58/635440058.db2.gz LNWSNDTXYBJVTG-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001269365 635445247 /nfs/dbraw/zinc/44/52/47/635445247.db2.gz NIUXMAZHZDFHPQ-UHFFFAOYSA-N 2 1 313.445 2.296 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474236 635514909 /nfs/dbraw/zinc/51/49/09/635514909.db2.gz VTMJPZWGLSRKNE-GOSISDBHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521820 635521244 /nfs/dbraw/zinc/52/12/44/635521244.db2.gz JTSNHLDAWPEDFF-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001925332 635578511 /nfs/dbraw/zinc/57/85/11/635578511.db2.gz PFUGGQDLDLUEDO-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000981825179 635671562 /nfs/dbraw/zinc/67/15/62/635671562.db2.gz MAVLDPUEQMSCAR-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC000981932950 635737127 /nfs/dbraw/zinc/73/71/27/635737127.db2.gz GACMQOREXQFFLE-OAHLLOKOSA-N 2 1 316.449 2.330 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808352 /nfs/dbraw/zinc/80/83/52/635808352.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808356 /nfs/dbraw/zinc/80/83/56/635808356.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009151 635808359 /nfs/dbraw/zinc/80/83/59/635808359.db2.gz HHIOOMSJYRIZME-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001002859665 635822171 /nfs/dbraw/zinc/82/21/71/635822171.db2.gz QULXKDWWUWFWQZ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386578 636152251 /nfs/dbraw/zinc/15/22/51/636152251.db2.gz GKIXFEJXKFYEBU-NCOADZHNSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004489031 636466964 /nfs/dbraw/zinc/46/69/64/636466964.db2.gz KXVYQRFSHSGYMF-QGZVFWFLSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004489031 636466968 /nfs/dbraw/zinc/46/69/68/636466968.db2.gz KXVYQRFSHSGYMF-QGZVFWFLSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946624015 636476989 /nfs/dbraw/zinc/47/69/89/636476989.db2.gz YNZHWAPBRQQMQT-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004540001 636485798 /nfs/dbraw/zinc/48/57/98/636485798.db2.gz AOOFCWYCGFSWDD-SJLPKXTDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755566 636705349 /nfs/dbraw/zinc/70/53/49/636705349.db2.gz QEMPNLKYLZDESZ-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755566 636705351 /nfs/dbraw/zinc/70/53/51/636705351.db2.gz QEMPNLKYLZDESZ-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755566 636705355 /nfs/dbraw/zinc/70/53/55/636705355.db2.gz QEMPNLKYLZDESZ-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000261986760 636965927 /nfs/dbraw/zinc/96/59/27/636965927.db2.gz KEYOVEFANZACHD-MRXNPFEDSA-N 2 1 300.450 2.178 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894455729 637050011 /nfs/dbraw/zinc/05/00/11/637050011.db2.gz IRTZZKGVMVEZSU-MRXNPFEDSA-N 2 1 320.506 2.468 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000923354082 637134984 /nfs/dbraw/zinc/13/49/84/637134984.db2.gz QBPAUEVYPFLPGX-SFHVURJKSA-N 2 1 301.434 2.433 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000894863118 637271735 /nfs/dbraw/zinc/27/17/35/637271735.db2.gz RBJXFYKCOXJIMA-GOSISDBHSA-N 2 1 323.481 2.178 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000894863118 637271738 /nfs/dbraw/zinc/27/17/38/637271738.db2.gz RBJXFYKCOXJIMA-GOSISDBHSA-N 2 1 323.481 2.178 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000989737550 641215744 /nfs/dbraw/zinc/21/57/44/641215744.db2.gz SHKFBSDRGRRNFQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000989737550 641215747 /nfs/dbraw/zinc/21/57/47/641215747.db2.gz SHKFBSDRGRRNFQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000989737550 641215750 /nfs/dbraw/zinc/21/57/50/641215750.db2.gz SHKFBSDRGRRNFQ-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000900158599 642275662 /nfs/dbraw/zinc/27/56/62/642275662.db2.gz QYAGLPJQPZEPQB-CQSZACIVSA-N 2 1 321.490 2.119 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000900158599 642275663 /nfs/dbraw/zinc/27/56/63/642275663.db2.gz QYAGLPJQPZEPQB-CQSZACIVSA-N 2 1 321.490 2.119 20 30 DEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725866 643441167 /nfs/dbraw/zinc/44/11/67/643441167.db2.gz INAATVUHDVCHIO-RTBURBONSA-N 2 1 300.446 2.486 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991621218 646548324 /nfs/dbraw/zinc/54/83/24/646548324.db2.gz HJCFKMLALZHUHP-HKUYNNGSSA-N 2 1 322.412 2.084 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@H]12 ZINC000991624463 646549235 /nfs/dbraw/zinc/54/92/35/646549235.db2.gz MVWDMMJIDRYLPD-HKUYNNGSSA-N 2 1 322.412 2.084 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171297 646885081 /nfs/dbraw/zinc/88/50/81/646885081.db2.gz XIOCPELGJNQNCL-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353002 646955916 /nfs/dbraw/zinc/95/59/16/646955916.db2.gz QOBGSNPOMZGCCI-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353002 646955918 /nfs/dbraw/zinc/95/59/18/646955918.db2.gz QOBGSNPOMZGCCI-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000913709612 647013819 /nfs/dbraw/zinc/01/38/19/647013819.db2.gz RNZNZKNCOZXKPT-GOSISDBHSA-N 2 1 315.461 2.193 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000913724538 647018724 /nfs/dbraw/zinc/01/87/24/647018724.db2.gz KLHPYLFRZBTVRV-GOSISDBHSA-N 2 1 315.461 2.193 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994128948 647790998 /nfs/dbraw/zinc/79/09/98/647790998.db2.gz FDPUHYHRNNXRCZ-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC000994297381 647905040 /nfs/dbraw/zinc/90/50/40/647905040.db2.gz FWTYEPPJAACZNU-HUUCEWRRSA-N 2 1 304.438 2.196 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948244724 648836120 /nfs/dbraw/zinc/83/61/20/648836120.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948244724 648836124 /nfs/dbraw/zinc/83/61/24/648836124.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948244724 648836126 /nfs/dbraw/zinc/83/61/26/648836126.db2.gz IYSIAIMGCJTLDE-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745657 648933124 /nfs/dbraw/zinc/93/31/24/648933124.db2.gz RUCYIEDMEORQOY-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948247 /nfs/dbraw/zinc/94/82/47/648948247.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948249 /nfs/dbraw/zinc/94/82/49/648948249.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940798303 648948250 /nfs/dbraw/zinc/94/82/50/648948250.db2.gz GDGZXDPYKILBEQ-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172379 649174015 /nfs/dbraw/zinc/17/40/15/649174015.db2.gz JSBZRMCHUOWKBT-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286803 649358315 /nfs/dbraw/zinc/35/83/15/649358315.db2.gz GRXMQYXYEWBXDG-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943286803 649358313 /nfs/dbraw/zinc/35/83/13/649358313.db2.gz GRXMQYXYEWBXDG-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCSCC1 ZINC000304756521 685260073 /nfs/dbraw/zinc/26/00/73/685260073.db2.gz NRVMBPMBKFXAAH-MRXNPFEDSA-N 2 1 324.538 2.395 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000304764025 685261276 /nfs/dbraw/zinc/26/12/76/685261276.db2.gz XLARDARTSLFJBY-CVEARBPZSA-N 2 1 318.465 2.151 20 30 DEEDMP CC(C)CCNC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000104168657 684058726 /nfs/dbraw/zinc/05/87/26/684058726.db2.gz HHVQNCBNLCGGHT-UHFFFAOYSA-N 2 1 302.466 2.385 20 30 DEEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129313987 684178049 /nfs/dbraw/zinc/17/80/49/684178049.db2.gz IZOODUPQXZDQRL-ZWNOBZJWSA-N 2 1 321.494 2.050 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153286 693863914 /nfs/dbraw/zinc/86/39/14/693863914.db2.gz NOJWFVLPTYVWPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153286 693863917 /nfs/dbraw/zinc/86/39/17/693863917.db2.gz NOJWFVLPTYVWPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153286 693863920 /nfs/dbraw/zinc/86/39/20/693863920.db2.gz NOJWFVLPTYVWPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP COc1cccc(NC(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000303888163 685238032 /nfs/dbraw/zinc/23/80/32/685238032.db2.gz LGOXKDVKAGOVOR-UHFFFAOYSA-N 2 1 324.428 2.480 20 30 DEEDMP COc1cccc(NC(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000303888163 685238035 /nfs/dbraw/zinc/23/80/35/685238035.db2.gz LGOXKDVKAGOVOR-UHFFFAOYSA-N 2 1 324.428 2.480 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000303908628 685239734 /nfs/dbraw/zinc/23/97/34/685239734.db2.gz XRUGFBLLYNIYMZ-INIZCTEOSA-N 2 1 314.477 2.481 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCCC[C@H]1C ZINC000303907783 685240554 /nfs/dbraw/zinc/24/05/54/685240554.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCCC[C@H]1C ZINC000303907783 685240559 /nfs/dbraw/zinc/24/05/59/685240559.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCCC[C@H]1C ZINC000303907783 685240566 /nfs/dbraw/zinc/24/05/66/685240566.db2.gz XAZBVXHMJLYFRF-SJORKVTESA-N 3 1 323.529 2.030 20 30 DEEDMP CCOc1ccccc1CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303990094 685243510 /nfs/dbraw/zinc/24/35/10/685243510.db2.gz YFFXJVPYNWRIEY-INIZCTEOSA-N 2 1 318.465 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781996 687420133 /nfs/dbraw/zinc/42/01/33/687420133.db2.gz UMUOQRDIWXMOKQ-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781996 687420137 /nfs/dbraw/zinc/42/01/37/687420137.db2.gz UMUOQRDIWXMOKQ-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016613885 687664631 /nfs/dbraw/zinc/66/46/31/687664631.db2.gz HWTYLKWBUQGAOX-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016689428 687683576 /nfs/dbraw/zinc/68/35/76/687683576.db2.gz ZXHYRHRNGJUCPE-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051882 688039698 /nfs/dbraw/zinc/03/96/98/688039698.db2.gz KWCLUIXEVSSPRE-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051882 688039704 /nfs/dbraw/zinc/03/97/04/688039704.db2.gz KWCLUIXEVSSPRE-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051882 688039708 /nfs/dbraw/zinc/03/97/08/688039708.db2.gz KWCLUIXEVSSPRE-BDXSIMOUSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001018966537 688262708 /nfs/dbraw/zinc/26/27/08/688262708.db2.gz LVWLIZUAMONQPK-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001019825543 688413558 /nfs/dbraw/zinc/41/35/58/688413558.db2.gz DIHICBAKFHOEEJ-HOTGVXAUSA-N 2 1 321.852 2.232 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028541659 688540937 /nfs/dbraw/zinc/54/09/37/688540937.db2.gz CWLHTHYFXVUKMF-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028541659 688540941 /nfs/dbraw/zinc/54/09/41/688540941.db2.gz CWLHTHYFXVUKMF-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028541659 688540943 /nfs/dbraw/zinc/54/09/43/688540943.db2.gz CWLHTHYFXVUKMF-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032446133 689153294 /nfs/dbraw/zinc/15/32/94/689153294.db2.gz WAUKOAWYUHKQNG-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032446133 689153296 /nfs/dbraw/zinc/15/32/96/689153296.db2.gz WAUKOAWYUHKQNG-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032446133 689153298 /nfs/dbraw/zinc/15/32/98/689153298.db2.gz WAUKOAWYUHKQNG-BZSNNMDCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445448 689153758 /nfs/dbraw/zinc/15/37/58/689153758.db2.gz GTRCGFHPGBIJJW-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445448 689153761 /nfs/dbraw/zinc/15/37/61/689153761.db2.gz GTRCGFHPGBIJJW-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445448 689153762 /nfs/dbraw/zinc/15/37/62/689153762.db2.gz GTRCGFHPGBIJJW-IKGGRYGDSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213862 689427242 /nfs/dbraw/zinc/42/72/42/689427242.db2.gz OAPMHNKXELHXMI-MRXNPFEDSA-N 2 1 312.417 2.365 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825589 689628563 /nfs/dbraw/zinc/62/85/63/689628563.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825589 689628566 /nfs/dbraw/zinc/62/85/66/689628566.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825589 689628571 /nfs/dbraw/zinc/62/85/71/689628571.db2.gz FPPNHQBFHDUGDJ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291098 689798251 /nfs/dbraw/zinc/79/82/51/689798251.db2.gz PIKWOTMFWSZZKX-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034399839 689835660 /nfs/dbraw/zinc/83/56/60/689835660.db2.gz VDQFVBNZODHPGS-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399839 689835663 /nfs/dbraw/zinc/83/56/63/689835663.db2.gz VDQFVBNZODHPGS-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399839 689835667 /nfs/dbraw/zinc/83/56/67/689835667.db2.gz VDQFVBNZODHPGS-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530637 689887432 /nfs/dbraw/zinc/88/74/32/689887432.db2.gz ZDMDPNBONXSTED-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530637 689887433 /nfs/dbraw/zinc/88/74/33/689887433.db2.gz ZDMDPNBONXSTED-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876725806 689917049 /nfs/dbraw/zinc/91/70/49/689917049.db2.gz XXGOSJXVBXROOE-JSGCOSHPSA-N 2 1 301.862 2.085 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642545 689917236 /nfs/dbraw/zinc/91/72/36/689917236.db2.gz HCCCGNFFDQRSKP-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036206463 690290958 /nfs/dbraw/zinc/29/09/58/690290958.db2.gz JXAVYEQCJWCJFY-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763020 690463495 /nfs/dbraw/zinc/46/34/95/690463495.db2.gz UIMCAQHSZTYEJR-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774021 690469495 /nfs/dbraw/zinc/46/94/95/690469495.db2.gz XSBRRQVBOOFDGI-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774021 690469496 /nfs/dbraw/zinc/46/94/96/690469496.db2.gz XSBRRQVBOOFDGI-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878746053 690490178 /nfs/dbraw/zinc/49/01/78/690490178.db2.gz QONSPSXPDHJRJD-LJQANCHMSA-N 2 1 322.412 2.199 20 30 DEEDMP C#CC[C@@H]1CCC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762014 690494089 /nfs/dbraw/zinc/49/40/89/690494089.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762014 690494092 /nfs/dbraw/zinc/49/40/92/690494092.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762014 690494095 /nfs/dbraw/zinc/49/40/95/690494095.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878762014 690494099 /nfs/dbraw/zinc/49/40/99/690494099.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878762014 690494102 /nfs/dbraw/zinc/49/41/02/690494102.db2.gz VRNFNWZVKZBONS-QUCCMNQESA-N 2 1 312.457 2.359 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001038405557 690809668 /nfs/dbraw/zinc/80/96/68/690809668.db2.gz OUMFAZCKWFIGCT-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039298185 691076775 /nfs/dbraw/zinc/07/67/75/691076775.db2.gz OIVQOEVPIZRTHY-ALOPSCKCSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241534 691219597 /nfs/dbraw/zinc/21/95/97/691219597.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241534 691219600 /nfs/dbraw/zinc/21/96/00/691219600.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241534 691219603 /nfs/dbraw/zinc/21/96/03/691219603.db2.gz OWKBRWLNCKSQQW-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398937 691242150 /nfs/dbraw/zinc/24/21/50/691242150.db2.gz MLUBHCCNODACKX-FUHWJXTLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701300 691280450 /nfs/dbraw/zinc/28/04/50/691280450.db2.gz XRBJJVZYSQEYSY-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477233 691382458 /nfs/dbraw/zinc/38/24/58/691382458.db2.gz ZOWGMHKHOJWJRD-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041647636 691404920 /nfs/dbraw/zinc/40/49/20/691404920.db2.gz ZUARFIPDHLYSRN-SJLPKXTDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409758 /nfs/dbraw/zinc/40/97/58/691409758.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409760 /nfs/dbraw/zinc/40/97/60/691409760.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679841 691409761 /nfs/dbraw/zinc/40/97/61/691409761.db2.gz OZZKDZZTXKGLFU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785582 691429785 /nfs/dbraw/zinc/42/97/85/691429785.db2.gz ITEDIYYUPAUIAU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785582 691429787 /nfs/dbraw/zinc/42/97/87/691429787.db2.gz ITEDIYYUPAUIAU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785582 691429791 /nfs/dbraw/zinc/42/97/91/691429791.db2.gz ITEDIYYUPAUIAU-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000883131307 691435810 /nfs/dbraw/zinc/43/58/10/691435810.db2.gz VLAJJQWPXXWPNV-UHFFFAOYSA-N 2 1 302.418 2.281 20 30 DEEDMP C=CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220960 691459925 /nfs/dbraw/zinc/45/99/25/691459925.db2.gz RSAVYCIMIVXXSH-IRXDYDNUSA-N 2 1 309.498 2.116 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042202503 691535390 /nfs/dbraw/zinc/53/53/90/691535390.db2.gz DARQDOYKDCJEDQ-GOEBONIOSA-N 2 1 317.433 2.064 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@H]21 ZINC001042202503 691535391 /nfs/dbraw/zinc/53/53/91/691535391.db2.gz DARQDOYKDCJEDQ-GOEBONIOSA-N 2 1 317.433 2.064 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216149 691538084 /nfs/dbraw/zinc/53/80/84/691538084.db2.gz MKXDCZLDRTWVRK-AEFFLSMTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371147 691584729 /nfs/dbraw/zinc/58/47/29/691584729.db2.gz MBRUUXNTVKVCET-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319947 692152651 /nfs/dbraw/zinc/15/26/51/692152651.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319947 692152655 /nfs/dbraw/zinc/15/26/55/692152655.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319947 692152659 /nfs/dbraw/zinc/15/26/59/692152659.db2.gz YXKXWIUANBGSMO-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560591 692647563 /nfs/dbraw/zinc/64/75/63/692647563.db2.gz LNIFFPHHERSQLT-VBUUOAMHSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562666 692647928 /nfs/dbraw/zinc/64/79/28/692647928.db2.gz QBFOLAHISXCNDE-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562666 692647930 /nfs/dbraw/zinc/64/79/30/692647930.db2.gz QBFOLAHISXCNDE-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562666 692647933 /nfs/dbraw/zinc/64/79/33/692647933.db2.gz QBFOLAHISXCNDE-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545800 692917752 /nfs/dbraw/zinc/91/77/52/692917752.db2.gz MVEBFTRDMAIPNF-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049553359 692919514 /nfs/dbraw/zinc/91/95/14/692919514.db2.gz UFPZATAGAPWOJI-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049553359 692919517 /nfs/dbraw/zinc/91/95/17/692919517.db2.gz UFPZATAGAPWOJI-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049553359 692919519 /nfs/dbraw/zinc/91/95/19/692919519.db2.gz UFPZATAGAPWOJI-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671620 692960878 /nfs/dbraw/zinc/96/08/78/692960878.db2.gz LXZGAURQICEJIV-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671620 692960879 /nfs/dbraw/zinc/96/08/79/692960879.db2.gz LXZGAURQICEJIV-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671620 692960881 /nfs/dbraw/zinc/96/08/81/692960881.db2.gz LXZGAURQICEJIV-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763774 692992389 /nfs/dbraw/zinc/99/23/89/692992389.db2.gz YOSAUIULJFYFFY-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903815 693043200 /nfs/dbraw/zinc/04/32/00/693043200.db2.gz ZUOVXAUEVXQPSZ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903815 693043204 /nfs/dbraw/zinc/04/32/04/693043204.db2.gz ZUOVXAUEVXQPSZ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046465 693090861 /nfs/dbraw/zinc/09/08/61/693090861.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046465 693090864 /nfs/dbraw/zinc/09/08/64/693090864.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046465 693090868 /nfs/dbraw/zinc/09/08/68/693090868.db2.gz FVTPHADWMBLQHI-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050170629 693128357 /nfs/dbraw/zinc/12/83/57/693128357.db2.gz AVJHNRHEVUMKRU-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001050564626 693207564 /nfs/dbraw/zinc/20/75/64/693207564.db2.gz SOIIVUALTAYDMK-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446860 693537547 /nfs/dbraw/zinc/53/75/47/693537547.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446860 693537549 /nfs/dbraw/zinc/53/75/49/693537549.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446860 693537553 /nfs/dbraw/zinc/53/75/53/693537553.db2.gz RURMDJNFXIUANZ-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515824 693554911 /nfs/dbraw/zinc/55/49/11/693554911.db2.gz JWTGZOBVDCURJQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515824 693554914 /nfs/dbraw/zinc/55/49/14/693554914.db2.gz JWTGZOBVDCURJQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515824 693554917 /nfs/dbraw/zinc/55/49/17/693554917.db2.gz JWTGZOBVDCURJQ-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052592772 693574124 /nfs/dbraw/zinc/57/41/24/693574124.db2.gz YUYUEWFSSPOWOS-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765194 693614764 /nfs/dbraw/zinc/61/47/64/693614764.db2.gz WYOJYHPOEACKTC-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956283 693656840 /nfs/dbraw/zinc/65/68/40/693656840.db2.gz RGUUWOSDMNFVEX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956283 693656843 /nfs/dbraw/zinc/65/68/43/693656843.db2.gz RGUUWOSDMNFVEX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956283 693656846 /nfs/dbraw/zinc/65/68/46/693656846.db2.gz RGUUWOSDMNFVEX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051549 693677908 /nfs/dbraw/zinc/67/79/08/693677908.db2.gz NSCBEHIPDRWFMO-ROUUACIJSA-N 2 1 319.493 2.219 20 30 DEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335395203 1150405753 /nfs/dbraw/zinc/40/57/53/1150405753.db2.gz RMMOSBYPHHANPZ-MRXNPFEDSA-N 2 1 314.433 2.207 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001479815357 1150823193 /nfs/dbraw/zinc/82/31/93/1150823193.db2.gz HLZLOCQFSPKDCB-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001479815357 1150823194 /nfs/dbraw/zinc/82/31/94/1150823194.db2.gz HLZLOCQFSPKDCB-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402682152 1162441544 /nfs/dbraw/zinc/44/15/44/1162441544.db2.gz FZMDUJZHUZXVIC-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001354500965 1151899345 /nfs/dbraw/zinc/89/93/45/1151899345.db2.gz XEQOQFREWZJHIW-ZWKOTPCHSA-N 2 1 315.461 2.369 20 30 DEEDMP C=C(Cl)CN(CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001372715255 1156695583 /nfs/dbraw/zinc/69/55/83/1156695583.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372715255 1156695588 /nfs/dbraw/zinc/69/55/88/1156695588.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001372715255 1156695592 /nfs/dbraw/zinc/69/55/92/1156695592.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001372715255 1156695600 /nfs/dbraw/zinc/69/56/00/1156695600.db2.gz WRGUNZFQMUNTBB-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001404105041 1163449135 /nfs/dbraw/zinc/44/91/35/1163449135.db2.gz ODFLBOYDWBOTLF-HNNXBMFYSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001404105041 1163449141 /nfs/dbraw/zinc/44/91/41/1163449141.db2.gz ODFLBOYDWBOTLF-HNNXBMFYSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001404501477 1163684959 /nfs/dbraw/zinc/68/49/59/1163684959.db2.gz QUVYBWUMMPUPAY-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001404501477 1163684965 /nfs/dbraw/zinc/68/49/65/1163684965.db2.gz QUVYBWUMMPUPAY-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001404501477 1163684973 /nfs/dbraw/zinc/68/49/73/1163684973.db2.gz QUVYBWUMMPUPAY-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001422137146 1172332749 /nfs/dbraw/zinc/33/27/49/1172332749.db2.gz VYGAAPKVXXXKOP-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001422137146 1172332757 /nfs/dbraw/zinc/33/27/57/1172332757.db2.gz VYGAAPKVXXXKOP-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001422137146 1172332765 /nfs/dbraw/zinc/33/27/65/1172332765.db2.gz VYGAAPKVXXXKOP-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001422137146 1172332772 /nfs/dbraw/zinc/33/27/72/1172332772.db2.gz VYGAAPKVXXXKOP-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001422250545 1172437437 /nfs/dbraw/zinc/43/74/37/1172437437.db2.gz PPULWOXSAFAVCZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001422250545 1172437440 /nfs/dbraw/zinc/43/74/40/1172437440.db2.gz PPULWOXSAFAVCZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001422250545 1172437443 /nfs/dbraw/zinc/43/74/43/1172437443.db2.gz PPULWOXSAFAVCZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001422250545 1172437449 /nfs/dbraw/zinc/43/74/49/1172437449.db2.gz PPULWOXSAFAVCZ-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001445506368 1183887874 /nfs/dbraw/zinc/88/78/74/1183887874.db2.gz VVQCEPGXZAFDAM-HIFRSBDPSA-N 2 1 309.841 2.136 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001332100675 1149819623 /nfs/dbraw/zinc/81/96/23/1149819623.db2.gz PDOLKQQLXCYCMJ-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001332100675 1149819628 /nfs/dbraw/zinc/81/96/28/1149819628.db2.gz PDOLKQQLXCYCMJ-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001332100675 1149819630 /nfs/dbraw/zinc/81/96/30/1149819630.db2.gz PDOLKQQLXCYCMJ-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001332100675 1149819631 /nfs/dbraw/zinc/81/96/31/1149819631.db2.gz PDOLKQQLXCYCMJ-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001407117840 1164989696 /nfs/dbraw/zinc/98/96/96/1164989696.db2.gz HHSUZRGGKPTFNF-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249834 782572257 /nfs/dbraw/zinc/57/22/57/782572257.db2.gz SIXYBKDXFDZCMF-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106336381 782660237 /nfs/dbraw/zinc/66/02/37/782660237.db2.gz LIVUWBZMLOGJOC-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947663557 783201176 /nfs/dbraw/zinc/20/11/76/783201176.db2.gz XCSAGLHYNAQPKE-HIFRSBDPSA-N 2 1 305.422 2.110 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955425 790329164 /nfs/dbraw/zinc/32/91/64/790329164.db2.gz KBGMDHNNEJEYBA-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001073033229 790407312 /nfs/dbraw/zinc/40/73/12/790407312.db2.gz GRHYJOVIUPNZMO-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001073033229 790407320 /nfs/dbraw/zinc/40/73/20/790407320.db2.gz GRHYJOVIUPNZMO-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425127 777019275 /nfs/dbraw/zinc/01/92/75/777019275.db2.gz CALQPJAPUMJUQN-SJORKVTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679917 778017207 /nfs/dbraw/zinc/01/72/07/778017207.db2.gz MTEKCSXXLOKERA-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073462961 790672034 /nfs/dbraw/zinc/67/20/34/790672034.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462961 790672041 /nfs/dbraw/zinc/67/20/41/790672041.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462961 790672044 /nfs/dbraw/zinc/67/20/44/790672044.db2.gz ZRJZUIDMDCNBBO-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811855 779348178 /nfs/dbraw/zinc/34/81/78/779348178.db2.gz INWFDVUNMQGGTD-OWCLPIDISA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811855 779348185 /nfs/dbraw/zinc/34/81/85/779348185.db2.gz INWFDVUNMQGGTD-OWCLPIDISA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@H]1CC ZINC001087720327 779422521 /nfs/dbraw/zinc/42/25/21/779422521.db2.gz OSWPEOZJOXUZLY-OFQRWUPVSA-N 2 1 316.449 2.375 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792273 779453483 /nfs/dbraw/zinc/45/34/83/779453483.db2.gz WJSDYBVGGGRQIG-KSZLIROESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792273 779453484 /nfs/dbraw/zinc/45/34/84/779453484.db2.gz WJSDYBVGGGRQIG-KSZLIROESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792273 779453489 /nfs/dbraw/zinc/45/34/89/779453489.db2.gz WJSDYBVGGGRQIG-KSZLIROESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129272 779717369 /nfs/dbraw/zinc/71/73/69/779717369.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129272 779717372 /nfs/dbraw/zinc/71/73/72/779717372.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129272 779717376 /nfs/dbraw/zinc/71/73/76/779717376.db2.gz FUZKVMIPWUIGFH-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000985511869 779880843 /nfs/dbraw/zinc/88/08/43/779880843.db2.gz ZVYVZLBSQFZJKV-UHFFFAOYSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000985511869 779880847 /nfs/dbraw/zinc/88/08/47/779880847.db2.gz ZVYVZLBSQFZJKV-UHFFFAOYSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000985511869 779880851 /nfs/dbraw/zinc/88/08/51/779880851.db2.gz ZVYVZLBSQFZJKV-UHFFFAOYSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001088277612 779900700 /nfs/dbraw/zinc/90/07/00/779900700.db2.gz DIRBATVQJILSLV-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001088381855 780052220 /nfs/dbraw/zinc/05/22/20/780052220.db2.gz OMJMWXQUVXPYQE-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495077 /nfs/dbraw/zinc/49/50/77/780495077.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495081 /nfs/dbraw/zinc/49/50/81/780495081.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569062 780495091 /nfs/dbraw/zinc/49/50/91/780495091.db2.gz FWLOOVRNDJYPNG-RYRKJORJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688370 780710286 /nfs/dbraw/zinc/71/02/86/780710286.db2.gz HRIMRQHOYNBSIQ-PBHICJAKSA-N 2 1 312.417 2.411 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702689 780864744 /nfs/dbraw/zinc/86/47/44/780864744.db2.gz CVMPPJCNBPQVPM-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423654 783461089 /nfs/dbraw/zinc/46/10/89/783461089.db2.gz BOKAHLZEAPPFRY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423654 783461097 /nfs/dbraw/zinc/46/10/97/783461097.db2.gz BOKAHLZEAPPFRY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423654 783461104 /nfs/dbraw/zinc/46/11/04/783461104.db2.gz BOKAHLZEAPPFRY-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855432 784148108 /nfs/dbraw/zinc/14/81/08/784148108.db2.gz YMVQIIHVIQLQGR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855432 784148114 /nfs/dbraw/zinc/14/81/14/784148114.db2.gz YMVQIIHVIQLQGR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855432 784148118 /nfs/dbraw/zinc/14/81/18/784148118.db2.gz YMVQIIHVIQLQGR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855432 784148121 /nfs/dbraw/zinc/14/81/21/784148121.db2.gz YMVQIIHVIQLQGR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855432 784148127 /nfs/dbraw/zinc/14/81/27/784148127.db2.gz YMVQIIHVIQLQGR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855433 784148425 /nfs/dbraw/zinc/14/84/25/784148425.db2.gz YMVQIIHVIQLQGR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855433 784148428 /nfs/dbraw/zinc/14/84/28/784148428.db2.gz YMVQIIHVIQLQGR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855433 784148432 /nfs/dbraw/zinc/14/84/32/784148432.db2.gz YMVQIIHVIQLQGR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855433 784148435 /nfs/dbraw/zinc/14/84/35/784148435.db2.gz YMVQIIHVIQLQGR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855433 784148437 /nfs/dbraw/zinc/14/84/37/784148437.db2.gz YMVQIIHVIQLQGR-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052424 784214073 /nfs/dbraw/zinc/21/40/73/784214073.db2.gz BFGHFVOADFOYCJ-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052424 784214078 /nfs/dbraw/zinc/21/40/78/784214078.db2.gz BFGHFVOADFOYCJ-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985345 784287570 /nfs/dbraw/zinc/28/75/70/784287570.db2.gz ZTMNNXRWXYAISQ-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331715 784294025 /nfs/dbraw/zinc/29/40/25/784294025.db2.gz QFTMVMJUNFQPSB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378447 784339861 /nfs/dbraw/zinc/33/98/61/784339861.db2.gz PXVDAUNBTCPXBM-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968378447 784339870 /nfs/dbraw/zinc/33/98/70/784339870.db2.gz PXVDAUNBTCPXBM-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882039 784636327 /nfs/dbraw/zinc/63/63/27/784636327.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882039 784636332 /nfs/dbraw/zinc/63/63/32/784636332.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882039 784636335 /nfs/dbraw/zinc/63/63/35/784636335.db2.gz FWNWMNIRZFYUHC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086387012 784640442 /nfs/dbraw/zinc/64/04/42/784640442.db2.gz OOLVDZBXWMXNQV-ULQDDVLXSA-N 2 1 307.482 2.025 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919839 784649817 /nfs/dbraw/zinc/64/98/17/784649817.db2.gz LZAZHRBOKSYGTC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919839 784649824 /nfs/dbraw/zinc/64/98/24/784649824.db2.gz LZAZHRBOKSYGTC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919839 784649827 /nfs/dbraw/zinc/64/98/27/784649827.db2.gz LZAZHRBOKSYGTC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919839 784649833 /nfs/dbraw/zinc/64/98/33/784649833.db2.gz LZAZHRBOKSYGTC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166785 785401932 /nfs/dbraw/zinc/40/19/32/785401932.db2.gz HAIYPQNFWIBJKZ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009166785 785401937 /nfs/dbraw/zinc/40/19/37/785401937.db2.gz HAIYPQNFWIBJKZ-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427301 785868692 /nfs/dbraw/zinc/86/86/92/785868692.db2.gz YOXOJCKNKIFXPB-QZWWFDLISA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113345765 786539151 /nfs/dbraw/zinc/53/91/51/786539151.db2.gz FFEHGYJKYGPDBA-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113345765 786539156 /nfs/dbraw/zinc/53/91/56/786539156.db2.gz FFEHGYJKYGPDBA-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001113546786 786677415 /nfs/dbraw/zinc/67/74/15/786677415.db2.gz LKKZGASHQDPYPF-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724330 786724412 /nfs/dbraw/zinc/72/44/12/786724412.db2.gz UHANWYRJCSJWQI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014724330 786724414 /nfs/dbraw/zinc/72/44/14/786724414.db2.gz UHANWYRJCSJWQI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001014724330 786724417 /nfs/dbraw/zinc/72/44/17/786724417.db2.gz UHANWYRJCSJWQI-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931723 787282880 /nfs/dbraw/zinc/28/28/80/787282880.db2.gz MJUBXSVGVZDWIR-PMPSAXMXSA-N 2 1 317.433 2.252 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931723 787282884 /nfs/dbraw/zinc/28/28/84/787282884.db2.gz MJUBXSVGVZDWIR-PMPSAXMXSA-N 2 1 317.433 2.252 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264879 787996245 /nfs/dbraw/zinc/99/62/45/787996245.db2.gz DDKKJEZAQWBPFV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210127 788020432 /nfs/dbraw/zinc/02/04/32/788020432.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210127 788020446 /nfs/dbraw/zinc/02/04/46/788020446.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210127 788020454 /nfs/dbraw/zinc/02/04/54/788020454.db2.gz PDZXRIOXUUDDGK-TVFCKZIOSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001097343716 788066496 /nfs/dbraw/zinc/06/64/96/788066496.db2.gz XWFGYXBQPUWAFH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001097343716 788066503 /nfs/dbraw/zinc/06/65/03/788066503.db2.gz XWFGYXBQPUWAFH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001097343716 788066515 /nfs/dbraw/zinc/06/65/15/788066515.db2.gz XWFGYXBQPUWAFH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001097343716 788066521 /nfs/dbraw/zinc/06/65/21/788066521.db2.gz XWFGYXBQPUWAFH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549730 788126937 /nfs/dbraw/zinc/12/69/37/788126937.db2.gz YSFPTPHHQQAVJR-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133275101 788346798 /nfs/dbraw/zinc/34/67/98/788346798.db2.gz PGONJTJEIMGIOT-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133866303 788647678 /nfs/dbraw/zinc/64/76/78/788647678.db2.gz KLMOCXGHZMWJEN-INIZCTEOSA-N 2 1 320.481 2.430 20 30 DEEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077229 789190722 /nfs/dbraw/zinc/19/07/22/789190722.db2.gz MOBHMHMNEUYDNH-HZPDHXFCSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481803 789358859 /nfs/dbraw/zinc/35/88/59/789358859.db2.gz XSFQQQQJBOVRHH-IAGOWNOFSA-N 2 1 317.477 2.220 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583748 789402123 /nfs/dbraw/zinc/40/21/23/789402123.db2.gz DVGFWUGPMSFPQM-CABCVRRESA-N 2 1 306.454 2.456 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135600766 789410980 /nfs/dbraw/zinc/41/09/80/789410980.db2.gz MTVROLPROWJVFV-CVEARBPZSA-N 2 1 318.465 2.293 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974657 789586133 /nfs/dbraw/zinc/58/61/33/789586133.db2.gz SNAVTDOIVOYWFW-UONOGXRCSA-N 2 1 303.878 2.344 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096008 790051378 /nfs/dbraw/zinc/05/13/78/790051378.db2.gz RYTLJSOFQCUFKP-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C[N@H+]1CC[C@@H](c2ccc(NC(=[NH2+])c3ccc(C(N)=O)cc3)cc2)C1 ZINC001171260074 791177053 /nfs/dbraw/zinc/17/70/53/791177053.db2.gz DHQVUCKBKGFXMW-MRXNPFEDSA-N 2 1 322.412 2.242 20 30 DEEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148217293 791712991 /nfs/dbraw/zinc/71/29/91/791712991.db2.gz XJUJRBLJHMWCST-UHFFFAOYSA-N 2 1 309.498 2.443 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923730 791985373 /nfs/dbraw/zinc/98/53/73/791985373.db2.gz BHTQPNDPVWIDKL-YJBOKZPZSA-N 2 1 310.401 2.105 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099029468 792049041 /nfs/dbraw/zinc/04/90/41/792049041.db2.gz COFHYWUAVNLTJP-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029468 792049052 /nfs/dbraw/zinc/04/90/52/792049052.db2.gz COFHYWUAVNLTJP-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029468 792049062 /nfs/dbraw/zinc/04/90/62/792049062.db2.gz COFHYWUAVNLTJP-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099115350 792101827 /nfs/dbraw/zinc/10/18/27/792101827.db2.gz GXNKWPQSXHIYRP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115350 792101833 /nfs/dbraw/zinc/10/18/33/792101833.db2.gz GXNKWPQSXHIYRP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099115350 792101837 /nfs/dbraw/zinc/10/18/37/792101837.db2.gz GXNKWPQSXHIYRP-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116487 792102587 /nfs/dbraw/zinc/10/25/87/792102587.db2.gz RSYXBYROOFUKFN-HOTGVXAUSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140357 792113041 /nfs/dbraw/zinc/11/30/41/792113041.db2.gz WYMPRTFZBBWZFL-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140357 792113046 /nfs/dbraw/zinc/11/30/46/792113046.db2.gz WYMPRTFZBBWZFL-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092736258 792120699 /nfs/dbraw/zinc/12/06/99/792120699.db2.gz NEHFSFYCNBYNRH-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092736258 792120705 /nfs/dbraw/zinc/12/07/05/792120705.db2.gz NEHFSFYCNBYNRH-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321362 792170629 /nfs/dbraw/zinc/17/06/29/792170629.db2.gz VKABONZHFXZQIT-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321362 792170635 /nfs/dbraw/zinc/17/06/35/792170635.db2.gz VKABONZHFXZQIT-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321362 792170640 /nfs/dbraw/zinc/17/06/40/792170640.db2.gz VKABONZHFXZQIT-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099354759 792179588 /nfs/dbraw/zinc/17/95/88/792179588.db2.gz VSAWAXMGGWCXCN-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099536273 792233881 /nfs/dbraw/zinc/23/38/81/792233881.db2.gz KVKZYJXCBOGAMG-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100345985 792603632 /nfs/dbraw/zinc/60/36/32/792603632.db2.gz KCMCBMWCCRHWLY-FHERZECASA-N 2 1 318.465 2.457 20 30 DEEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100764945 792832009 /nfs/dbraw/zinc/83/20/09/792832009.db2.gz MCTLONBPSJWODH-UHFFFAOYSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363238 793134572 /nfs/dbraw/zinc/13/45/72/793134572.db2.gz RQBKPIWYSZNXNE-AOIWGVFYSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441276 793162484 /nfs/dbraw/zinc/16/24/84/793162484.db2.gz PJLSZKHWDIDGEH-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441276 793162489 /nfs/dbraw/zinc/16/24/89/793162489.db2.gz PJLSZKHWDIDGEH-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441276 793162493 /nfs/dbraw/zinc/16/24/93/793162493.db2.gz PJLSZKHWDIDGEH-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483726 793178464 /nfs/dbraw/zinc/17/84/64/793178464.db2.gz FNSCHVCSZYMMSO-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206182510 793524838 /nfs/dbraw/zinc/52/48/38/793524838.db2.gz ANWOYALABMCFRZ-SJORKVTESA-N 2 1 304.413 2.298 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206182510 793524846 /nfs/dbraw/zinc/52/48/46/793524846.db2.gz ANWOYALABMCFRZ-SJORKVTESA-N 2 1 304.413 2.298 20 30 DEEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C[C@H]1C#N ZINC001172987142 793551418 /nfs/dbraw/zinc/55/14/18/793551418.db2.gz WPVFITQKXCRMSU-KGLIPLIRSA-N 2 1 322.453 2.091 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601501 793669422 /nfs/dbraw/zinc/66/94/22/793669422.db2.gz GCTXPBMLHJRFJY-KBAYOESNSA-N 2 1 315.461 2.159 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601501 793669428 /nfs/dbraw/zinc/66/94/28/793669428.db2.gz GCTXPBMLHJRFJY-KBAYOESNSA-N 2 1 315.461 2.159 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977191 793853058 /nfs/dbraw/zinc/85/30/58/793853058.db2.gz QCSDEULYTWIVEB-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977191 793853070 /nfs/dbraw/zinc/85/30/70/793853070.db2.gz QCSDEULYTWIVEB-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977191 793853086 /nfs/dbraw/zinc/85/30/86/793853086.db2.gz QCSDEULYTWIVEB-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103642888 794174918 /nfs/dbraw/zinc/17/49/18/794174918.db2.gz AHGPVHUQWPZRGQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103642888 794174922 /nfs/dbraw/zinc/17/49/22/794174922.db2.gz AHGPVHUQWPZRGQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103642888 794174929 /nfs/dbraw/zinc/17/49/29/794174929.db2.gz AHGPVHUQWPZRGQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103663865 794181276 /nfs/dbraw/zinc/18/12/76/794181276.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663865 794181282 /nfs/dbraw/zinc/18/12/82/794181282.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663865 794181287 /nfs/dbraw/zinc/18/12/87/794181287.db2.gz YHEFPNGALMSQIL-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722445 794202944 /nfs/dbraw/zinc/20/29/44/794202944.db2.gz NLQFXRXPHUOROP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483572 794935672 /nfs/dbraw/zinc/93/56/72/794935672.db2.gz DXLFMXJFFBUPFE-QZTJIDSGSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178527981 794940854 /nfs/dbraw/zinc/94/08/54/794940854.db2.gz RWGMKNDJJRWZJJ-INIZCTEOSA-N 2 1 318.465 2.296 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178692852 794976600 /nfs/dbraw/zinc/97/66/00/794976600.db2.gz DPHRIJOUZDGROW-SFHVURJKSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178692851 794977217 /nfs/dbraw/zinc/97/72/17/794977217.db2.gz DPHRIJOUZDGROW-GOSISDBHSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908307 795028485 /nfs/dbraw/zinc/02/84/85/795028485.db2.gz LSZXKRMUVOAJMZ-UHFFFAOYSA-N 2 1 322.453 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026328 795042325 /nfs/dbraw/zinc/04/23/25/795042325.db2.gz WICHNZPPTLLTSN-UHFFFAOYSA-N 2 1 312.845 2.210 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234359 795081082 /nfs/dbraw/zinc/08/10/82/795081082.db2.gz LVNGWYITFZZPGC-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138913 795240047 /nfs/dbraw/zinc/24/00/47/795240047.db2.gz QWACEBMKAGEPMJ-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402036 795627833 /nfs/dbraw/zinc/62/78/33/795627833.db2.gz CQUZYOUTZWWLAS-UHFFFAOYSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243044 795739099 /nfs/dbraw/zinc/73/90/99/795739099.db2.gz YIQVWICVFIPLNP-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577882 796087225 /nfs/dbraw/zinc/08/72/25/796087225.db2.gz QAODRMKOCOXLMI-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307394 796233103 /nfs/dbraw/zinc/23/31/03/796233103.db2.gz POVKHEBTJMJTLR-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698026 /nfs/dbraw/zinc/69/80/26/796698026.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698028 /nfs/dbraw/zinc/69/80/28/796698028.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658973 796698030 /nfs/dbraw/zinc/69/80/30/796698030.db2.gz PUIVXSLETYDSHW-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167632 796784517 /nfs/dbraw/zinc/78/45/17/796784517.db2.gz XYWVKCWYAPCFPO-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167632 796784521 /nfs/dbraw/zinc/78/45/21/796784521.db2.gz XYWVKCWYAPCFPO-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480924 797009431 /nfs/dbraw/zinc/00/94/31/797009431.db2.gz MKDPEWYPWWDVLO-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526420 797018124 /nfs/dbraw/zinc/01/81/24/797018124.db2.gz UJPZFIIITTZGDV-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001191360841 797189804 /nfs/dbraw/zinc/18/98/04/797189804.db2.gz TYQGRQMEYXSNLZ-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360841 797189810 /nfs/dbraw/zinc/18/98/10/797189810.db2.gz TYQGRQMEYXSNLZ-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001191360841 797189812 /nfs/dbraw/zinc/18/98/12/797189812.db2.gz TYQGRQMEYXSNLZ-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1C#N ZINC001205571371 797266034 /nfs/dbraw/zinc/26/60/34/797266034.db2.gz TXTKUDKEXJNRMF-HNNXBMFYSA-N 2 1 308.426 2.328 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134229 797325014 /nfs/dbraw/zinc/32/50/14/797325014.db2.gz HVKMOFCJYCPVPB-NVXWUHKLSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001153864096 797413354 /nfs/dbraw/zinc/41/33/54/797413354.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC(C)C ZINC001153864096 797413356 /nfs/dbraw/zinc/41/33/56/797413356.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001153864096 797413360 /nfs/dbraw/zinc/41/33/60/797413360.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153864096 797413364 /nfs/dbraw/zinc/41/33/64/797413364.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC(C)C ZINC001153864096 797413370 /nfs/dbraw/zinc/41/33/70/797413370.db2.gz ATXHXKPJAVBBHP-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192655851 797423879 /nfs/dbraw/zinc/42/38/79/797423879.db2.gz PHEXWCLAKOXIEJ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099135 797463219 /nfs/dbraw/zinc/46/32/19/797463219.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099135 797463223 /nfs/dbraw/zinc/46/32/23/797463223.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099135 797463225 /nfs/dbraw/zinc/46/32/25/797463225.db2.gz BQFRUHDOLCWNDR-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192916919 797470164 /nfs/dbraw/zinc/47/01/64/797470164.db2.gz GTSGWJHLASMGHP-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027215 797665343 /nfs/dbraw/zinc/66/53/43/797665343.db2.gz PNXWTROZTPURBZ-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027215 797665346 /nfs/dbraw/zinc/66/53/46/797665346.db2.gz PNXWTROZTPURBZ-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825988 797857865 /nfs/dbraw/zinc/85/78/65/797857865.db2.gz WPRBIIGQNOSXLY-OAHLLOKOSA-N 2 1 306.454 2.374 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825988 797857872 /nfs/dbraw/zinc/85/78/72/797857872.db2.gz WPRBIIGQNOSXLY-OAHLLOKOSA-N 2 1 306.454 2.374 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196059981 797997652 /nfs/dbraw/zinc/99/76/52/797997652.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196059981 797997655 /nfs/dbraw/zinc/99/76/55/797997655.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196059981 797997659 /nfs/dbraw/zinc/99/76/59/797997659.db2.gz BVWGQOJYLOPXPN-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196507833 798065299 /nfs/dbraw/zinc/06/52/99/798065299.db2.gz RGWSPEJDXUIVJR-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196507833 798065304 /nfs/dbraw/zinc/06/53/04/798065304.db2.gz RGWSPEJDXUIVJR-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196507833 798065308 /nfs/dbraw/zinc/06/53/08/798065308.db2.gz RGWSPEJDXUIVJR-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935503 798128668 /nfs/dbraw/zinc/12/86/68/798128668.db2.gz SQGFCAXGSUQZCD-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935503 798128671 /nfs/dbraw/zinc/12/86/71/798128671.db2.gz SQGFCAXGSUQZCD-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001157118978 798146545 /nfs/dbraw/zinc/14/65/45/798146545.db2.gz QQCZMUFVKQPHJD-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157118978 798146548 /nfs/dbraw/zinc/14/65/48/798146548.db2.gz QQCZMUFVKQPHJD-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157118978 798146552 /nfs/dbraw/zinc/14/65/52/798146552.db2.gz QQCZMUFVKQPHJD-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158067269 798336263 /nfs/dbraw/zinc/33/62/63/798336263.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067269 798336270 /nfs/dbraw/zinc/33/62/70/798336270.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067269 798336276 /nfs/dbraw/zinc/33/62/76/798336276.db2.gz ZHALIGHYONFMAY-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159915225 798624604 /nfs/dbraw/zinc/62/46/04/798624604.db2.gz HTYQNLXAAOEDMJ-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160132008 798652349 /nfs/dbraw/zinc/65/23/49/798652349.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160132008 798652352 /nfs/dbraw/zinc/65/23/52/798652352.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160132008 798652354 /nfs/dbraw/zinc/65/23/54/798652354.db2.gz ZPIDZBLBSMCROC-ZWKOTPCHSA-N 2 1 317.477 2.185 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285900 798670648 /nfs/dbraw/zinc/67/06/48/798670648.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285900 798670649 /nfs/dbraw/zinc/67/06/49/798670649.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285900 798670650 /nfs/dbraw/zinc/67/06/50/798670650.db2.gz KRLLCWIGYLUFGO-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353803 798679277 /nfs/dbraw/zinc/67/92/77/798679277.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353803 798679280 /nfs/dbraw/zinc/67/92/80/798679280.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353803 798679284 /nfs/dbraw/zinc/67/92/84/798679284.db2.gz YXJHNHZFPIUFIU-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466468 798692803 /nfs/dbraw/zinc/69/28/03/798692803.db2.gz DNHVOVIAYWGAPB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160466468 798692808 /nfs/dbraw/zinc/69/28/08/798692808.db2.gz DNHVOVIAYWGAPB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160466468 798692813 /nfs/dbraw/zinc/69/28/13/798692813.db2.gz DNHVOVIAYWGAPB-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133536 798800738 /nfs/dbraw/zinc/80/07/38/798800738.db2.gz KPZQNOOIORGULB-QGZVFWFLSA-N 2 1 307.482 2.287 20 30 DEEDMP C=CCCCCC[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161553048 798884065 /nfs/dbraw/zinc/88/40/65/798884065.db2.gz YQSUINLPIBUGNZ-UHFFFAOYSA-N 2 1 322.453 2.192 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161698873 798915220 /nfs/dbraw/zinc/91/52/20/798915220.db2.gz FGPJTYIGPIYDPK-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698873 798915225 /nfs/dbraw/zinc/91/52/25/798915225.db2.gz FGPJTYIGPIYDPK-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161698873 798915229 /nfs/dbraw/zinc/91/52/29/798915229.db2.gz FGPJTYIGPIYDPK-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161698914 798915590 /nfs/dbraw/zinc/91/55/90/798915590.db2.gz FYONZEFEJHQRQA-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698914 798915595 /nfs/dbraw/zinc/91/55/95/798915595.db2.gz FYONZEFEJHQRQA-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161698914 798915599 /nfs/dbraw/zinc/91/55/99/798915599.db2.gz FYONZEFEJHQRQA-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952013 798977450 /nfs/dbraw/zinc/97/74/50/798977450.db2.gz AKOQQFJXNPZUFP-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410137 799093006 /nfs/dbraw/zinc/09/30/06/799093006.db2.gz UEHAELKFMCXWKP-VSZNYVQBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202526856 799106307 /nfs/dbraw/zinc/10/63/07/799106307.db2.gz RFUZCRBLIQQMLO-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114467497 799129537 /nfs/dbraw/zinc/12/95/37/799129537.db2.gz ZKZAOCULEVBCBS-XDNAFOTISA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001114467497 799129540 /nfs/dbraw/zinc/12/95/40/799129540.db2.gz ZKZAOCULEVBCBS-XDNAFOTISA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114467497 799129545 /nfs/dbraw/zinc/12/95/45/799129545.db2.gz ZKZAOCULEVBCBS-XDNAFOTISA-N 2 1 321.509 2.488 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202757534 799434882 /nfs/dbraw/zinc/43/48/82/799434882.db2.gz NCJNLXLEXDISMB-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165728836 799766217 /nfs/dbraw/zinc/76/62/17/799766217.db2.gz VOTGYUHRFQWWHO-JKSUJKDBSA-N 2 1 305.466 2.065 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110954196 799794612 /nfs/dbraw/zinc/79/46/12/799794612.db2.gz MKOSLTROAPCIJC-HZMVEIRTSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018049 799833329 /nfs/dbraw/zinc/83/33/29/799833329.db2.gz HQTFDBBZRIVWED-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793800 799951312 /nfs/dbraw/zinc/95/13/12/799951312.db2.gz ZPCQBRAXXOATKF-QGZVFWFLSA-N 2 1 319.493 2.008 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420789 800044646 /nfs/dbraw/zinc/04/46/46/800044646.db2.gz XDVYDXQMZXQFEM-GJZGRUSLSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853867 800133447 /nfs/dbraw/zinc/13/34/47/800133447.db2.gz ZYCOCJQSGCOISU-IYBDPMFKSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206030709 800461297 /nfs/dbraw/zinc/46/12/97/800461297.db2.gz IDPHXCJDYXYGJY-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206620130 800565494 /nfs/dbraw/zinc/56/54/94/800565494.db2.gz LFIMKJRMCDGMHQ-ZACQAIPSSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435895 800750867 /nfs/dbraw/zinc/75/08/67/800750867.db2.gz NIJQTEPQQAXKDI-GOSISDBHSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207601273 800786681 /nfs/dbraw/zinc/78/66/81/800786681.db2.gz GAMJQMMZBABAIB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207601273 800786689 /nfs/dbraw/zinc/78/66/89/800786689.db2.gz GAMJQMMZBABAIB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207601273 800786691 /nfs/dbraw/zinc/78/66/91/800786691.db2.gz GAMJQMMZBABAIB-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572086 801015964 /nfs/dbraw/zinc/01/59/64/801015964.db2.gz JTJONEJKSRQFKZ-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206130 801151510 /nfs/dbraw/zinc/15/15/10/801151510.db2.gz YAIDKWKZBABBND-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001209263879 801162362 /nfs/dbraw/zinc/16/23/62/801162362.db2.gz RAUAFECWJFRAMV-UHFFFAOYSA-N 2 1 302.418 2.360 20 30 DEEDMP C#CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001209263879 801162365 /nfs/dbraw/zinc/16/23/65/801162365.db2.gz RAUAFECWJFRAMV-UHFFFAOYSA-N 2 1 302.418 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133422 801339355 /nfs/dbraw/zinc/33/93/55/801339355.db2.gz QBAJNHYCBSDQLO-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP N#Cc1c(F)ccc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271585 801366222 /nfs/dbraw/zinc/36/62/22/801366222.db2.gz VOQKCRSYGUBCGE-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230591788 801430142 /nfs/dbraw/zinc/43/01/42/801430142.db2.gz JKZMHEKTJUTAIF-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592202 801431828 /nfs/dbraw/zinc/43/18/28/801431828.db2.gz UVLYBDUQEJXALO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072664 801508316 /nfs/dbraw/zinc/50/83/16/801508316.db2.gz UPOXUMKSIWTPSO-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610875 801739794 /nfs/dbraw/zinc/73/97/94/801739794.db2.gz GXNPSKFSMXFXDW-ZACQAIPSSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855915 801766919 /nfs/dbraw/zinc/76/69/19/801766919.db2.gz RISMRZDEDUSNCF-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP CCCCCCC/C=C/C[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222521466 802700277 /nfs/dbraw/zinc/70/02/77/802700277.db2.gz SERXUYBXSLXYSP-SGQUHAKNSA-N 2 1 319.493 2.315 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522348 802798078 /nfs/dbraw/zinc/79/80/78/802798078.db2.gz QYJYNUMYPXBWET-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522348 802798083 /nfs/dbraw/zinc/79/80/83/802798083.db2.gz QYJYNUMYPXBWET-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522348 802798087 /nfs/dbraw/zinc/79/80/87/802798087.db2.gz QYJYNUMYPXBWET-SJORKVTESA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224883710 802914228 /nfs/dbraw/zinc/91/42/28/802914228.db2.gz GFVGCODMDQZTDR-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226341496 803094496 /nfs/dbraw/zinc/09/44/96/803094496.db2.gz LGYIZTXXBKSCSE-YLFCFFPRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001226697575 803144495 /nfs/dbraw/zinc/14/44/95/803144495.db2.gz ZSLQWZKXSMHTTK-HZPDHXFCSA-N 2 1 304.438 2.326 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001328035142 1148704604 /nfs/dbraw/zinc/70/46/04/1148704604.db2.gz MHWMZFDTXRNVFQ-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001328738790 1148830330 /nfs/dbraw/zinc/83/03/30/1148830330.db2.gz YPUNORFEGSTSDP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001328738790 1148830333 /nfs/dbraw/zinc/83/03/33/1148830333.db2.gz YPUNORFEGSTSDP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001328738790 1148830334 /nfs/dbraw/zinc/83/03/34/1148830334.db2.gz YPUNORFEGSTSDP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001500448877 1058794222 /nfs/dbraw/zinc/79/42/22/1058794222.db2.gz YXINWSSFZJAMTF-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001501681167 1059633108 /nfs/dbraw/zinc/63/31/08/1059633108.db2.gz DBVUETYWZIJQEA-OAHLLOKOSA-N 2 1 303.450 2.480 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502124229 1059963132 /nfs/dbraw/zinc/96/31/32/1059963132.db2.gz NMKNHWYUFHLNOM-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001502124229 1059963151 /nfs/dbraw/zinc/96/31/51/1059963151.db2.gz NMKNHWYUFHLNOM-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001502124229 1059963170 /nfs/dbraw/zinc/96/31/70/1059963170.db2.gz NMKNHWYUFHLNOM-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001505442579 1060604105 /nfs/dbraw/zinc/60/41/05/1060604105.db2.gz ZCSOYQPWZNKKRW-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001479778304 1061742534 /nfs/dbraw/zinc/74/25/34/1061742534.db2.gz SAXNIWMMRWPIJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001479778304 1061742556 /nfs/dbraw/zinc/74/25/56/1061742556.db2.gz SAXNIWMMRWPIJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001479778304 1061742577 /nfs/dbraw/zinc/74/25/77/1061742577.db2.gz SAXNIWMMRWPIJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001479870646 1061959108 /nfs/dbraw/zinc/95/91/08/1061959108.db2.gz KLVHTYKJZKJVKO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001479870646 1061959129 /nfs/dbraw/zinc/95/91/29/1061959129.db2.gz KLVHTYKJZKJVKO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001479870646 1061959152 /nfs/dbraw/zinc/95/91/52/1061959152.db2.gz KLVHTYKJZKJVKO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506817027 1062405896 /nfs/dbraw/zinc/40/58/96/1062405896.db2.gz BUDFGVLORFXAON-TVFCKZIOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190212 1062443071 /nfs/dbraw/zinc/44/30/71/1062443071.db2.gz YIAKRDJHJSTTOD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190212 1062443079 /nfs/dbraw/zinc/44/30/79/1062443079.db2.gz YIAKRDJHJSTTOD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190212 1062443090 /nfs/dbraw/zinc/44/30/90/1062443090.db2.gz YIAKRDJHJSTTOD-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447643 /nfs/dbraw/zinc/44/76/43/1062447643.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447666 /nfs/dbraw/zinc/44/76/66/1062447666.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001506866307 1062447681 /nfs/dbraw/zinc/44/76/81/1062447681.db2.gz ULSQLFHMUJAJLW-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480255166 1062537192 /nfs/dbraw/zinc/53/71/92/1062537192.db2.gz QRIMJTHTSTZOQY-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480255166 1062537218 /nfs/dbraw/zinc/53/72/18/1062537218.db2.gz QRIMJTHTSTZOQY-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480255166 1062537237 /nfs/dbraw/zinc/53/72/37/1062537237.db2.gz QRIMJTHTSTZOQY-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507014924 1062676487 /nfs/dbraw/zinc/67/64/87/1062676487.db2.gz KKLJFBSMIZBGSS-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001480356931 1062703940 /nfs/dbraw/zinc/70/39/40/1062703940.db2.gz OCGMUGZBIWKEJE-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507162106 1062937523 /nfs/dbraw/zinc/93/75/23/1062937523.db2.gz ONDQVLRSLGIAFJ-ZBFHGGJFSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507396727 1063224316 /nfs/dbraw/zinc/22/43/16/1063224316.db2.gz FAOVGQFWIAEJSN-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508020126 1063498717 /nfs/dbraw/zinc/49/87/17/1063498717.db2.gz FNSZEDUTLBRYER-DLBZAZTESA-N 2 1 321.509 2.393 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001508162388 1063587618 /nfs/dbraw/zinc/58/76/18/1063587618.db2.gz NABVKBZEHXPJIS-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266572 1063678686 /nfs/dbraw/zinc/67/86/86/1063678686.db2.gz HTXDCQQWNRPLMN-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001493266572 1063678697 /nfs/dbraw/zinc/67/86/97/1063678697.db2.gz HTXDCQQWNRPLMN-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493966860 1064047991 /nfs/dbraw/zinc/04/79/91/1064047991.db2.gz GHAZSZAXHWZVOE-ROUUACIJSA-N 2 1 321.509 2.443 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494056998 1064107306 /nfs/dbraw/zinc/10/73/06/1064107306.db2.gz QUIFGLWUNDUDAD-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001494056998 1064107314 /nfs/dbraw/zinc/10/73/14/1064107314.db2.gz QUIFGLWUNDUDAD-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567364390 1064162858 /nfs/dbraw/zinc/16/28/58/1064162858.db2.gz FZYQJQUKNMJWOR-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001567712783 1064370224 /nfs/dbraw/zinc/37/02/24/1064370224.db2.gz QIFWPTIZNUWPMC-QGZVFWFLSA-N 2 1 319.493 2.123 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567944744 1064551395 /nfs/dbraw/zinc/55/13/95/1064551395.db2.gz ACXKCMJVVBEDFU-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001610977600 1078093175 /nfs/dbraw/zinc/09/31/75/1078093175.db2.gz GJIXMYASDJRPLX-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001568121498 1064658360 /nfs/dbraw/zinc/65/83/60/1064658360.db2.gz CDKYXNIIWDMJKF-GOSISDBHSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001568126242 1064660500 /nfs/dbraw/zinc/66/05/00/1064660500.db2.gz WJSUDBMHQMBNGQ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1 ZINC001568277600 1064748714 /nfs/dbraw/zinc/74/87/14/1064748714.db2.gz BLPQJYSDQLVAMI-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1 ZINC001568277600 1064748726 /nfs/dbraw/zinc/74/87/26/1064748726.db2.gz BLPQJYSDQLVAMI-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001568299986 1064764508 /nfs/dbraw/zinc/76/45/08/1064764508.db2.gz ICHVLGBTTOCBDY-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001568320236 1064776519 /nfs/dbraw/zinc/77/65/19/1064776519.db2.gz CUTFROOBLIWQLJ-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495264203 1064793962 /nfs/dbraw/zinc/79/39/62/1064793962.db2.gz BJHFINWWCBYRPT-FUHWJXTLSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001568435078 1064870374 /nfs/dbraw/zinc/87/03/74/1064870374.db2.gz WROGLATXDWRONC-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001495488229 1064941222 /nfs/dbraw/zinc/94/12/22/1064941222.db2.gz LQRMZZGQBNWTDF-GOSISDBHSA-N 2 1 315.461 2.451 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001495538109 1064972346 /nfs/dbraw/zinc/97/23/46/1064972346.db2.gz VBKNJBJACLOACK-IBGZPJMESA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001569425681 1065503294 /nfs/dbraw/zinc/50/32/94/1065503294.db2.gz PESPCDVACFAXPL-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001569471152 1065526815 /nfs/dbraw/zinc/52/68/15/1065526815.db2.gz UXMUCISLMFWTDH-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001569704440 1065679622 /nfs/dbraw/zinc/67/96/22/1065679622.db2.gz NMKIPAOIYQFCQH-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569711531 1065683323 /nfs/dbraw/zinc/68/33/23/1065683323.db2.gz DWLBTAFQQUGJST-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569711531 1065683331 /nfs/dbraw/zinc/68/33/31/1065683331.db2.gz DWLBTAFQQUGJST-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001569711531 1065683337 /nfs/dbraw/zinc/68/33/37/1065683337.db2.gz DWLBTAFQQUGJST-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569726653 1065693656 /nfs/dbraw/zinc/69/36/56/1065693656.db2.gz SMTYZGJZSMBORE-IBGZPJMESA-N 2 1 319.493 2.104 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001569864846 1065775310 /nfs/dbraw/zinc/77/53/10/1065775310.db2.gz KNNRKELNXHQGEY-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570026608 1065888189 /nfs/dbraw/zinc/88/81/89/1065888189.db2.gz CVOWPASJLGBEGB-GOSISDBHSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001570255044 1065992441 /nfs/dbraw/zinc/99/24/41/1065992441.db2.gz NRBCTJGIDPCZTN-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570437589 1066068263 /nfs/dbraw/zinc/06/82/63/1066068263.db2.gz OVDRFXKIISNDKV-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570437589 1066068272 /nfs/dbraw/zinc/06/82/72/1066068272.db2.gz OVDRFXKIISNDKV-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497677856 1066233705 /nfs/dbraw/zinc/23/37/05/1066233705.db2.gz BTBVFXAKIIAIGP-DKRLNXSXSA-N 2 1 311.445 2.037 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC001620772641 1066316866 /nfs/dbraw/zinc/31/68/66/1066316866.db2.gz PFAGABPATJARPP-UHFFFAOYSA-N 2 1 311.433 2.316 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498488554 1066741408 /nfs/dbraw/zinc/74/14/08/1066741408.db2.gz IHIKJSKGYQJVTG-JKSUJKDBSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267045155 1078524376 /nfs/dbraw/zinc/52/43/76/1078524376.db2.gz NNBOKRXIMQNDRE-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001483492563 1078567647 /nfs/dbraw/zinc/56/76/47/1078567647.db2.gz FVOLNHJWTKTMGN-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267163863 1078628398 /nfs/dbraw/zinc/62/83/98/1078628398.db2.gz BGOFYHFUWSDXRN-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163863 1078628402 /nfs/dbraw/zinc/62/84/02/1078628402.db2.gz BGOFYHFUWSDXRN-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267163863 1078628404 /nfs/dbraw/zinc/62/84/04/1078628404.db2.gz BGOFYHFUWSDXRN-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001570530204 1067987183 /nfs/dbraw/zinc/98/71/83/1067987183.db2.gz GPBOWENPBAXKTQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570530204 1067987187 /nfs/dbraw/zinc/98/71/87/1067987187.db2.gz GPBOWENPBAXKTQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570530204 1067987191 /nfs/dbraw/zinc/98/71/91/1067987191.db2.gz GPBOWENPBAXKTQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001570550705 1068000597 /nfs/dbraw/zinc/00/05/97/1068000597.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550705 1068000613 /nfs/dbraw/zinc/00/06/13/1068000613.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001570550705 1068000629 /nfs/dbraw/zinc/00/06/29/1068000629.db2.gz DCCFGUNGHOQASU-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267181743 1078645370 /nfs/dbraw/zinc/64/53/70/1078645370.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267181743 1078645383 /nfs/dbraw/zinc/64/53/83/1078645383.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267181743 1078645398 /nfs/dbraw/zinc/64/53/98/1078645398.db2.gz NBHXLRBAWRGYAT-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001570828659 1068131916 /nfs/dbraw/zinc/13/19/16/1068131916.db2.gz QGPSNZOUMGYGJX-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267216873 1078673049 /nfs/dbraw/zinc/67/30/49/1078673049.db2.gz SJBFXFCBDPXDOH-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639420 1068454079 /nfs/dbraw/zinc/45/40/79/1068454079.db2.gz NQZIYHFUXQXBKC-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298177 1078744886 /nfs/dbraw/zinc/74/48/86/1078744886.db2.gz KPUPKHMEJXXMIB-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483698691 1078819012 /nfs/dbraw/zinc/81/90/12/1078819012.db2.gz UNXWIDPFFRXESC-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001267492396 1078917332 /nfs/dbraw/zinc/91/73/32/1078917332.db2.gz UVXOJKZBTSOLBR-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267544332 1078973363 /nfs/dbraw/zinc/97/33/63/1078973363.db2.gz KCVREQRADKDAIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267544332 1078973369 /nfs/dbraw/zinc/97/33/69/1078973369.db2.gz KCVREQRADKDAIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267544332 1078973373 /nfs/dbraw/zinc/97/33/73/1078973373.db2.gz KCVREQRADKDAIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568719 1079004486 /nfs/dbraw/zinc/00/44/86/1079004486.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267568719 1079004489 /nfs/dbraw/zinc/00/44/89/1079004489.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267568719 1079004495 /nfs/dbraw/zinc/00/44/95/1079004495.db2.gz XDAKXXYUEONHPT-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001483847927 1079149632 /nfs/dbraw/zinc/14/96/32/1079149632.db2.gz OJUVVNZKYVFKHU-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483944089 1079200388 /nfs/dbraw/zinc/20/03/88/1079200388.db2.gz OIMIJPLTJCNKBB-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483980598 1079223651 /nfs/dbraw/zinc/22/36/51/1079223651.db2.gz LEWLVRUJXMYNRJ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001484000886 1079236818 /nfs/dbraw/zinc/23/68/18/1079236818.db2.gz KJZRYOGZPRQDJL-DLBZAZTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001481138821 1079244614 /nfs/dbraw/zinc/24/46/14/1079244614.db2.gz LPNDZFPZMPYPDV-UHFFFAOYSA-N 2 1 318.465 2.166 20 30 DEEDMP C=C(Cl)CN1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001484061737 1079281123 /nfs/dbraw/zinc/28/11/23/1079281123.db2.gz PCNAIWVDPNLOTM-INIZCTEOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001484124926 1079314353 /nfs/dbraw/zinc/31/43/53/1079314353.db2.gz KPBDKVHJSAIWSA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCc1cc(C[NH2+]CCn2cc[nH+]c2C)cc(OC)c1O ZINC001560299226 1075136483 /nfs/dbraw/zinc/13/64/83/1075136483.db2.gz ORGMQDDPRJUDMA-UHFFFAOYSA-N 2 1 301.390 2.424 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001565824637 1075189903 /nfs/dbraw/zinc/18/99/03/1075189903.db2.gz KWHVJLLEJSDEQW-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565824637 1075189906 /nfs/dbraw/zinc/18/99/06/1075189906.db2.gz KWHVJLLEJSDEQW-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565824637 1075189908 /nfs/dbraw/zinc/18/99/08/1075189908.db2.gz KWHVJLLEJSDEQW-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565834963 1075193586 /nfs/dbraw/zinc/19/35/86/1075193586.db2.gz FGUUDXICLGILGP-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001565834963 1075193589 /nfs/dbraw/zinc/19/35/89/1075193589.db2.gz FGUUDXICLGILGP-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001565852284 1075197293 /nfs/dbraw/zinc/19/72/93/1075197293.db2.gz FUEFHFSESBPMEH-GASCZTMLSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001565856076 1075198389 /nfs/dbraw/zinc/19/83/89/1075198389.db2.gz DAHOTRISTFENAE-JQHSSLGASA-N 2 1 315.461 2.350 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001566597910 1075292928 /nfs/dbraw/zinc/29/29/28/1075292928.db2.gz HRMVNWFKRDWDOW-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566739739 1075331144 /nfs/dbraw/zinc/33/11/44/1075331144.db2.gz IKDNOPRZKUEZQR-AEFFLSMTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001567182801 1075455304 /nfs/dbraw/zinc/45/53/04/1075455304.db2.gz MGFLPMJYMTZCNA-GOSISDBHSA-N 2 1 315.461 2.105 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267740052 1079434757 /nfs/dbraw/zinc/43/47/57/1079434757.db2.gz RPDQTAIMTRTMBN-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001267740052 1079434759 /nfs/dbraw/zinc/43/47/59/1079434759.db2.gz RPDQTAIMTRTMBN-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001267740052 1079434763 /nfs/dbraw/zinc/43/47/63/1079434763.db2.gz RPDQTAIMTRTMBN-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267790350 1079496605 /nfs/dbraw/zinc/49/66/05/1079496605.db2.gz MGPPYERITHVLCY-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CC)C2 ZINC001484390216 1079579488 /nfs/dbraw/zinc/57/94/88/1079579488.db2.gz KMNFJKOBHKYBST-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001484390216 1079579495 /nfs/dbraw/zinc/57/94/95/1079579495.db2.gz KMNFJKOBHKYBST-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001484390216 1079579505 /nfs/dbraw/zinc/57/95/05/1079579505.db2.gz KMNFJKOBHKYBST-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267956556 1079636210 /nfs/dbraw/zinc/63/62/10/1079636210.db2.gz JAKOTRKJJXHQMQ-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484638186 1079705088 /nfs/dbraw/zinc/70/50/88/1079705088.db2.gz HGWFINHBANTTJZ-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481439291 1079849747 /nfs/dbraw/zinc/84/97/47/1079849747.db2.gz UGLHDVCIYXADQU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439291 1079849754 /nfs/dbraw/zinc/84/97/54/1079849754.db2.gz UGLHDVCIYXADQU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481439291 1079849757 /nfs/dbraw/zinc/84/97/57/1079849757.db2.gz UGLHDVCIYXADQU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461831 1079906953 /nfs/dbraw/zinc/90/69/53/1079906953.db2.gz JOUIVLCTANNQNS-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001656653181 1080110278 /nfs/dbraw/zinc/11/02/78/1080110278.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001656653181 1080110283 /nfs/dbraw/zinc/11/02/83/1080110283.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001656653181 1080110290 /nfs/dbraw/zinc/11/02/90/1080110290.db2.gz WHOCMRUURDJGAF-BPQIPLTHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001485658437 1080350934 /nfs/dbraw/zinc/35/09/34/1080350934.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001485658437 1080350940 /nfs/dbraw/zinc/35/09/40/1080350940.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001485658437 1080350946 /nfs/dbraw/zinc/35/09/46/1080350946.db2.gz VGSUCCZDRJIQAE-ULQDDVLXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001485669638 1080358027 /nfs/dbraw/zinc/35/80/27/1080358027.db2.gz HJSZXSCYCWCAIT-HDICACEKSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001485766165 1080421388 /nfs/dbraw/zinc/42/13/88/1080421388.db2.gz ANEZCSPIUQEBPL-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481774272 1080489889 /nfs/dbraw/zinc/48/98/89/1080489889.db2.gz BCTKSKHSQHRKRZ-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001662113456 1080570767 /nfs/dbraw/zinc/57/07/67/1080570767.db2.gz OPSKTJGTTOKTHN-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665720326 1081070445 /nfs/dbraw/zinc/07/04/45/1081070445.db2.gz HOOINWLIXFWYLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001665720326 1081070450 /nfs/dbraw/zinc/07/04/50/1081070450.db2.gz HOOINWLIXFWYLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001665720326 1081070457 /nfs/dbraw/zinc/07/04/57/1081070457.db2.gz HOOINWLIXFWYLS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001666055444 1081117648 /nfs/dbraw/zinc/11/76/48/1081117648.db2.gz JWZRDZVIWDBUMD-YJBOKZPZSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001666364097 1081147658 /nfs/dbraw/zinc/14/76/58/1081147658.db2.gz GFDCOUKOUJKRLI-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001667029065 1081203514 /nfs/dbraw/zinc/20/35/14/1081203514.db2.gz PRHRFDYVDJFFQQ-SJLPKXTDSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001667196881 1081222731 /nfs/dbraw/zinc/22/27/31/1081222731.db2.gz FIMICBZPKCAAAJ-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001667695473 1081275255 /nfs/dbraw/zinc/27/52/55/1081275255.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001667695473 1081275260 /nfs/dbraw/zinc/27/52/60/1081275260.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001667695473 1081275265 /nfs/dbraw/zinc/27/52/65/1081275265.db2.gz XMPPZHRWFRRHHI-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001269533052 1081281154 /nfs/dbraw/zinc/28/11/54/1081281154.db2.gz NBYWFCNOYPWCAF-JKSUJKDBSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001284600055 1081341829 /nfs/dbraw/zinc/34/18/29/1081341829.db2.gz YJFYSJRBERPMSK-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCC)C1 ZINC001269741828 1081352103 /nfs/dbraw/zinc/35/21/03/1081352103.db2.gz PXWJPHHBBBOWDK-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCC)C1 ZINC001269741828 1081352109 /nfs/dbraw/zinc/35/21/09/1081352109.db2.gz PXWJPHHBBBOWDK-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001671916196 1081550444 /nfs/dbraw/zinc/55/04/44/1081550444.db2.gz GQECUYGAMGCMPM-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001671916196 1081550446 /nfs/dbraw/zinc/55/04/46/1081550446.db2.gz GQECUYGAMGCMPM-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001671916196 1081550448 /nfs/dbraw/zinc/55/04/48/1081550448.db2.gz GQECUYGAMGCMPM-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001672343668 1081586671 /nfs/dbraw/zinc/58/66/71/1081586671.db2.gz WCAPJAZNLFWCCL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001672343668 1081586680 /nfs/dbraw/zinc/58/66/80/1081586680.db2.gz WCAPJAZNLFWCCL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001672343668 1081586688 /nfs/dbraw/zinc/58/66/88/1081586688.db2.gz WCAPJAZNLFWCCL-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538030 1081610339 /nfs/dbraw/zinc/61/03/39/1081610339.db2.gz MMCKEDWMMSUOIC-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238417 1081748787 /nfs/dbraw/zinc/74/87/87/1081748787.db2.gz RFPYAVCIPIQJEX-IYBDPMFKSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001270911967 1081834919 /nfs/dbraw/zinc/83/49/19/1081834919.db2.gz UREGEDMZABQNHH-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001270965107 1081857294 /nfs/dbraw/zinc/85/72/94/1081857294.db2.gz AEYGEHCOSLVGPU-WMZOPIPTSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674500132 1081883991 /nfs/dbraw/zinc/88/39/91/1081883991.db2.gz WTDLEHVQMULOCQ-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674500132 1081883997 /nfs/dbraw/zinc/88/39/97/1081883997.db2.gz WTDLEHVQMULOCQ-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001674506642 1081885027 /nfs/dbraw/zinc/88/50/27/1081885027.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506642 1081885034 /nfs/dbraw/zinc/88/50/34/1081885034.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001674506642 1081885040 /nfs/dbraw/zinc/88/50/40/1081885040.db2.gz YWLPVFNHILNLDP-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266328240 1081975628 /nfs/dbraw/zinc/97/56/28/1081975628.db2.gz XMCJYGBQMYGSOS-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266328240 1081975630 /nfs/dbraw/zinc/97/56/30/1081975630.db2.gz XMCJYGBQMYGSOS-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001271285357 1082004642 /nfs/dbraw/zinc/00/46/42/1082004642.db2.gz FFBIRGSABWCTHE-HOTGVXAUSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266466615 1082054390 /nfs/dbraw/zinc/05/43/90/1082054390.db2.gz RQCPKVXHYHWZKK-DLBZAZTESA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001482507396 1082130660 /nfs/dbraw/zinc/13/06/60/1082130660.db2.gz BSGKGXUTAVVMNO-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001271954450 1082206771 /nfs/dbraw/zinc/20/67/71/1082206771.db2.gz VOLFFZQNZKWEAB-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001272094082 1082465015 /nfs/dbraw/zinc/46/50/15/1082465015.db2.gz ZBVZDLKHTUKOBE-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001272094082 1082465016 /nfs/dbraw/zinc/46/50/16/1082465016.db2.gz ZBVZDLKHTUKOBE-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001272094082 1082465018 /nfs/dbraw/zinc/46/50/18/1082465018.db2.gz ZBVZDLKHTUKOBE-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001276606918 1083511134 /nfs/dbraw/zinc/51/11/34/1083511134.db2.gz CYXOQGJGKQCQKZ-HZPDHXFCSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563376 /nfs/dbraw/zinc/56/33/76/1083563376.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563382 /nfs/dbraw/zinc/56/33/82/1083563382.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646552 1083563388 /nfs/dbraw/zinc/56/33/88/1083563388.db2.gz KDZIYCUUHBHPMT-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276838472 1083640370 /nfs/dbraw/zinc/64/03/70/1083640370.db2.gz YJPPXYTZATYSSG-UHFFFAOYSA-N 2 1 324.432 2.098 20 30 DEEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276838472 1083640371 /nfs/dbraw/zinc/64/03/71/1083640371.db2.gz YJPPXYTZATYSSG-UHFFFAOYSA-N 2 1 324.432 2.098 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001276906705 1083673377 /nfs/dbraw/zinc/67/33/77/1083673377.db2.gz WJVMIXGHQUPLAU-YTQUADARSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130014 1084095231 /nfs/dbraw/zinc/09/52/31/1084095231.db2.gz KNEZJLKWWGELRG-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130014 1084095243 /nfs/dbraw/zinc/09/52/43/1084095243.db2.gz KNEZJLKWWGELRG-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP Cn1cc(C[N@H+]2CCC3(CN(c4cc[nH+]cc4)C3)C2)cc1C#N ZINC001277694642 1084100150 /nfs/dbraw/zinc/10/01/50/1084100150.db2.gz SQEOLGWMMMHKSW-UHFFFAOYSA-N 2 1 307.401 2.004 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001277826316 1084164168 /nfs/dbraw/zinc/16/41/68/1084164168.db2.gz MFUFVNRKQZSURI-GJZGRUSLSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297728 1084216239 /nfs/dbraw/zinc/21/62/39/1084216239.db2.gz JAYADEJDABIJLH-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297728 1084216246 /nfs/dbraw/zinc/21/62/46/1084216246.db2.gz JAYADEJDABIJLH-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298168 1084220294 /nfs/dbraw/zinc/22/02/94/1084220294.db2.gz UTXFLZFDEAVJQO-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235007882 1084269706 /nfs/dbraw/zinc/26/97/06/1084269706.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235007882 1084269719 /nfs/dbraw/zinc/26/97/19/1084269719.db2.gz RWGWPIGMVLYMQX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)C ZINC001235455778 1084435571 /nfs/dbraw/zinc/43/55/71/1084435571.db2.gz RHTOWBVGXNIDEX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001235455778 1084435575 /nfs/dbraw/zinc/43/55/75/1084435575.db2.gz RHTOWBVGXNIDEX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)C ZINC001235455778 1084435577 /nfs/dbraw/zinc/43/55/77/1084435577.db2.gz RHTOWBVGXNIDEX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)C ZINC001235455778 1084435582 /nfs/dbraw/zinc/43/55/82/1084435582.db2.gz RHTOWBVGXNIDEX-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001277948948 1084446101 /nfs/dbraw/zinc/44/61/01/1084446101.db2.gz WVNVUKKYQYVBMT-HNNXBMFYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001272917309 1084470894 /nfs/dbraw/zinc/47/08/94/1084470894.db2.gz SJVNDYMSXVAXPX-UHFFFAOYSA-N 2 1 324.428 2.052 20 30 DEEDMP C=CC[N@@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001272917309 1084470899 /nfs/dbraw/zinc/47/08/99/1084470899.db2.gz SJVNDYMSXVAXPX-UHFFFAOYSA-N 2 1 324.428 2.052 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001486146244 1085091247 /nfs/dbraw/zinc/09/12/47/1085091247.db2.gz MKQNYRVMWQLEQO-JFIYKMOQSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001486377066 1085250567 /nfs/dbraw/zinc/25/05/67/1085250567.db2.gz YRWNISDYHLUHDI-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001486377066 1085250579 /nfs/dbraw/zinc/25/05/79/1085250579.db2.gz YRWNISDYHLUHDI-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400325 1085286526 /nfs/dbraw/zinc/28/65/26/1085286526.db2.gz VJBDQQPZXQKSIA-BZUAXINKSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001486470751 1085356728 /nfs/dbraw/zinc/35/67/28/1085356728.db2.gz FXLVTRHKRQTQBA-OFLPRAFFSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001486510006 1085393614 /nfs/dbraw/zinc/39/36/14/1085393614.db2.gz ZKZRVFGVIWDDBG-QGZVFWFLSA-N 2 1 316.449 2.405 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001486520241 1085402539 /nfs/dbraw/zinc/40/25/39/1085402539.db2.gz IVSQNRGLCBIPIR-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001486520241 1085402543 /nfs/dbraw/zinc/40/25/43/1085402543.db2.gz IVSQNRGLCBIPIR-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486520241 1085402546 /nfs/dbraw/zinc/40/25/46/1085402546.db2.gz IVSQNRGLCBIPIR-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962268546 1086045909 /nfs/dbraw/zinc/04/59/09/1086045909.db2.gz FDAJWQLOBOQJOW-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962268546 1086045917 /nfs/dbraw/zinc/04/59/17/1086045917.db2.gz FDAJWQLOBOQJOW-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962268546 1086045928 /nfs/dbraw/zinc/04/59/28/1086045928.db2.gz FDAJWQLOBOQJOW-XWTMOSNGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518906 1088299360 /nfs/dbraw/zinc/29/93/60/1088299360.db2.gz SPLWDWQNHUNYEV-NCOADZHNSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079731896 1088364815 /nfs/dbraw/zinc/36/48/15/1088364815.db2.gz MTQSJIXLAPZWCN-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079731896 1088364832 /nfs/dbraw/zinc/36/48/32/1088364832.db2.gz MTQSJIXLAPZWCN-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079731896 1088364849 /nfs/dbraw/zinc/36/48/49/1088364849.db2.gz MTQSJIXLAPZWCN-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318247 1088815476 /nfs/dbraw/zinc/81/54/76/1088815476.db2.gz LMMNHCUHNLXQMT-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318247 1088815500 /nfs/dbraw/zinc/81/55/00/1088815500.db2.gz LMMNHCUHNLXQMT-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318247 1088815520 /nfs/dbraw/zinc/81/55/20/1088815520.db2.gz LMMNHCUHNLXQMT-NXHRZFHOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114627540 1089478773 /nfs/dbraw/zinc/47/87/73/1089478773.db2.gz XYPCJEYZHHPWRY-VQFNDLOPSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422028 1090284746 /nfs/dbraw/zinc/28/47/46/1090284746.db2.gz IVGJTYGRDAJEDN-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422028 1090284749 /nfs/dbraw/zinc/28/47/49/1090284749.db2.gz IVGJTYGRDAJEDN-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422028 1090284755 /nfs/dbraw/zinc/28/47/55/1090284755.db2.gz IVGJTYGRDAJEDN-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488282 1090306840 /nfs/dbraw/zinc/30/68/40/1090306840.db2.gz UMIYHFCFCHVONF-SJLPKXTDSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694443 1090397651 /nfs/dbraw/zinc/39/76/51/1090397651.db2.gz DJQWJCVZWARNGF-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694443 1090397656 /nfs/dbraw/zinc/39/76/56/1090397656.db2.gz DJQWJCVZWARNGF-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091242975 /nfs/dbraw/zinc/24/29/75/1091242975.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091242984 /nfs/dbraw/zinc/24/29/84/1091242984.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001274434112 1091242995 /nfs/dbraw/zinc/24/29/95/1091242995.db2.gz BIYQYOGFXDZJHK-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCCC[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276042087 1091472821 /nfs/dbraw/zinc/47/28/21/1091472821.db2.gz VYCFVLBTHFFGRF-HDICACEKSA-N 2 1 309.498 2.070 20 30 DEEDMP C=CCN(CC[NH+]1CCC2(CCC[N@@H+](C)C2)CC1)C(=O)OCC ZINC001274926526 1091476102 /nfs/dbraw/zinc/47/61/02/1091476102.db2.gz BGZHNLYWGCLWPW-UHFFFAOYSA-N 2 1 323.481 2.439 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001275268261 1091645526 /nfs/dbraw/zinc/64/55/26/1091645526.db2.gz IAGMDMDKIASOJB-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275566092 1091868222 /nfs/dbraw/zinc/86/82/22/1091868222.db2.gz LQMXYHHCWHNJBU-ZDUSSCGKSA-N 2 1 309.479 2.436 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653166 1091951027 /nfs/dbraw/zinc/95/10/27/1091951027.db2.gz CGPXRPKDWAVVIK-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653166 1091951032 /nfs/dbraw/zinc/95/10/32/1091951032.db2.gz CGPXRPKDWAVVIK-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542267 1091959285 /nfs/dbraw/zinc/95/92/85/1091959285.db2.gz FWOKOTYBJHMJCV-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829402 1091960074 /nfs/dbraw/zinc/96/00/74/1091960074.db2.gz MMVPTXHADPJNEK-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949042908 1092036973 /nfs/dbraw/zinc/03/69/73/1092036973.db2.gz OHSYSAFUYSJESY-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949042908 1092036980 /nfs/dbraw/zinc/03/69/80/1092036980.db2.gz OHSYSAFUYSJESY-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001273802411 1092063928 /nfs/dbraw/zinc/06/39/28/1092063928.db2.gz XWVJNQRXYBOGCJ-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001493125945 1092301881 /nfs/dbraw/zinc/30/18/81/1092301881.db2.gz WXIIXZDBLGWZFG-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001488857628 1092782017 /nfs/dbraw/zinc/78/20/17/1092782017.db2.gz CFSHMUPUACIEIG-WKILWMFISA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490455364 1093392585 /nfs/dbraw/zinc/39/25/85/1093392585.db2.gz YJVKQIDNHCYUDH-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001274111423 1093802837 /nfs/dbraw/zinc/80/28/37/1093802837.db2.gz ZAHVOLHOROXQEM-KRWDZBQOSA-N 2 1 324.428 2.239 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001319038818 1140494356 /nfs/dbraw/zinc/49/43/56/1140494356.db2.gz ULKNKXVPZAKDJW-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246023346 1140847898 /nfs/dbraw/zinc/84/78/98/1140847898.db2.gz PLLVKXQGHIBWLA-IRXDYDNUSA-N 2 1 300.487 2.274 20 30 DEEDMP C=CCO[C@@H]1CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899694 1140979576 /nfs/dbraw/zinc/97/95/76/1140979576.db2.gz VDQFGWBAGHPHFF-RCCFBDPRSA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899694 1140979580 /nfs/dbraw/zinc/97/95/80/1140979580.db2.gz VDQFGWBAGHPHFF-RCCFBDPRSA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCO[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320899694 1140979589 /nfs/dbraw/zinc/97/95/89/1140979589.db2.gz VDQFGWBAGHPHFF-RCCFBDPRSA-N 2 1 308.466 2.319 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH2+]CC1)[C@@H]2CC ZINC001246752223 1141049770 /nfs/dbraw/zinc/04/97/70/1141049770.db2.gz GELBJEZUCDZMRK-AEFFLSMTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001323568759 1141865850 /nfs/dbraw/zinc/86/58/50/1141865850.db2.gz WQTKKYWUJRILKG-INIZCTEOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001323638192 1141872522 /nfs/dbraw/zinc/87/25/22/1141872522.db2.gz PELLZBXXNGIPFP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001323638192 1141872523 /nfs/dbraw/zinc/87/25/23/1141872523.db2.gz PELLZBXXNGIPFP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001323638192 1141872524 /nfs/dbraw/zinc/87/25/24/1141872524.db2.gz PELLZBXXNGIPFP-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001278632485 1142395290 /nfs/dbraw/zinc/39/52/90/1142395290.db2.gz QKAINDSNQUFASG-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCC)C(C)(C)C1 ZINC001278651430 1142661453 /nfs/dbraw/zinc/66/14/53/1142661453.db2.gz OHAZLNKVWXYSMS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCCC)C(C)(C)C1 ZINC001278651430 1142661462 /nfs/dbraw/zinc/66/14/62/1142661462.db2.gz OHAZLNKVWXYSMS-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CCN(C)CC1)C2 ZINC001256203038 1143834999 /nfs/dbraw/zinc/83/49/99/1143834999.db2.gz BXFLPYKKWODIGW-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256203038 1143835000 /nfs/dbraw/zinc/83/50/00/1143835000.db2.gz BXFLPYKKWODIGW-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256203038 1143835002 /nfs/dbraw/zinc/83/50/02/1143835002.db2.gz BXFLPYKKWODIGW-GOSISDBHSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264518027 1144556005 /nfs/dbraw/zinc/55/60/05/1144556005.db2.gz NVTKITACLZXLIW-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264518030 1144556177 /nfs/dbraw/zinc/55/61/77/1144556177.db2.gz NVTKITACLZXLIW-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094884 1144641957 /nfs/dbraw/zinc/64/19/57/1144641957.db2.gz KZVSCCNHXSXEGP-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526387 1144709211 /nfs/dbraw/zinc/70/92/11/1144709211.db2.gz ZNQZZEIGRCYCGS-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265644845 1144721496 /nfs/dbraw/zinc/72/14/96/1144721496.db2.gz CMFMFRMOXUFHGD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001265644845 1144721498 /nfs/dbraw/zinc/72/14/98/1144721498.db2.gz CMFMFRMOXUFHGD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001265644845 1144721500 /nfs/dbraw/zinc/72/15/00/1144721500.db2.gz CMFMFRMOXUFHGD-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001265655786 1144723195 /nfs/dbraw/zinc/72/31/95/1144723195.db2.gz OYBVTXTZTKOGRX-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001265655786 1144723198 /nfs/dbraw/zinc/72/31/98/1144723198.db2.gz OYBVTXTZTKOGRX-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001265655786 1144723200 /nfs/dbraw/zinc/72/32/00/1144723200.db2.gz OYBVTXTZTKOGRX-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001265658254 1144723729 /nfs/dbraw/zinc/72/37/29/1144723729.db2.gz VDSQAPGMMJWDKG-SFHVURJKSA-N 2 1 319.493 2.247 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265656106 1144723962 /nfs/dbraw/zinc/72/39/62/1144723962.db2.gz WKPHSAOHMDBCCR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656106 1144723966 /nfs/dbraw/zinc/72/39/66/1144723966.db2.gz WKPHSAOHMDBCCR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265656106 1144723969 /nfs/dbraw/zinc/72/39/69/1144723969.db2.gz WKPHSAOHMDBCCR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696629 1144730061 /nfs/dbraw/zinc/73/00/61/1144730061.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696629 1144730063 /nfs/dbraw/zinc/73/00/63/1144730063.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696629 1144730068 /nfs/dbraw/zinc/73/00/68/1144730068.db2.gz JGDULFMPUSUUAJ-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266070546 1144802664 /nfs/dbraw/zinc/80/26/64/1144802664.db2.gz CJFUPOBCGSKHNW-HOTGVXAUSA-N 2 1 304.438 2.175 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144618 1144809443 /nfs/dbraw/zinc/80/94/43/1144809443.db2.gz WNIKYQYNJZDHJQ-DLBZAZTESA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144620 1144809446 /nfs/dbraw/zinc/80/94/46/1144809446.db2.gz WNIKYQYNJZDHJQ-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001280462377 1144840989 /nfs/dbraw/zinc/84/09/89/1144840989.db2.gz QENUCDVYVXZIMF-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001280462377 1144840991 /nfs/dbraw/zinc/84/09/91/1144840991.db2.gz QENUCDVYVXZIMF-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001281742943 1144912009 /nfs/dbraw/zinc/91/20/09/1144912009.db2.gz IXFMSEPRXIZJPZ-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)C[NH+](CC)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001281844957 1144916443 /nfs/dbraw/zinc/91/64/43/1144916443.db2.gz HVLXALIQCBMPLN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001281844957 1144916445 /nfs/dbraw/zinc/91/64/45/1144916445.db2.gz HVLXALIQCBMPLN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001281844957 1144916447 /nfs/dbraw/zinc/91/64/47/1144916447.db2.gz HVLXALIQCBMPLN-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001281931969 1144920697 /nfs/dbraw/zinc/92/06/97/1144920697.db2.gz HEZYXBVAWFGNBY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001281931969 1144920699 /nfs/dbraw/zinc/92/06/99/1144920699.db2.gz HEZYXBVAWFGNBY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001281931969 1144920702 /nfs/dbraw/zinc/92/07/02/1144920702.db2.gz HEZYXBVAWFGNBY-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001283332327 1145366124 /nfs/dbraw/zinc/36/61/24/1145366124.db2.gz XMJTTXCYCDNEOM-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001283332327 1145366127 /nfs/dbraw/zinc/36/61/27/1145366127.db2.gz XMJTTXCYCDNEOM-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001283332327 1145366131 /nfs/dbraw/zinc/36/61/31/1145366131.db2.gz XMJTTXCYCDNEOM-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001284072077 1145786131 /nfs/dbraw/zinc/78/61/31/1145786131.db2.gz PFKCPTNLVZXVBB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001284072077 1145786144 /nfs/dbraw/zinc/78/61/44/1145786144.db2.gz PFKCPTNLVZXVBB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001284072077 1145786156 /nfs/dbraw/zinc/78/61/56/1145786156.db2.gz PFKCPTNLVZXVBB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001316633782 1145880706 /nfs/dbraw/zinc/88/07/06/1145880706.db2.gz RTRXZMUSTMXTBQ-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284949138 1145989230 /nfs/dbraw/zinc/98/92/30/1145989230.db2.gz QBYRASNLJZDYDQ-MRXNPFEDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001366424576 1147264650 /nfs/dbraw/zinc/26/46/50/1147264650.db2.gz HBUJSMDOMTXXJF-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001317503478 1147535515 /nfs/dbraw/zinc/53/55/15/1147535515.db2.gz NXOYPGGZGYIDFT-OAHLLOKOSA-N 2 1 304.438 2.083 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480741972 1147551576 /nfs/dbraw/zinc/55/15/76/1147551576.db2.gz CVEXVDSFLFQBFH-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001316699854 1147565621 /nfs/dbraw/zinc/56/56/21/1147565621.db2.gz KJTWZZKTBNVDRA-SQNIBIBYSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001316773748 1147577875 /nfs/dbraw/zinc/57/78/75/1147577875.db2.gz PAMBBKTXDDJKNQ-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317064088 1147582714 /nfs/dbraw/zinc/58/27/14/1147582714.db2.gz NVOWFTAQPSOXJB-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001316802876 1147601858 /nfs/dbraw/zinc/60/18/58/1147601858.db2.gz RQIWGUTXDLAIPR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316802876 1147601863 /nfs/dbraw/zinc/60/18/63/1147601863.db2.gz RQIWGUTXDLAIPR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316802876 1147601864 /nfs/dbraw/zinc/60/18/64/1147601864.db2.gz RQIWGUTXDLAIPR-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001317048106 1147653022 /nfs/dbraw/zinc/65/30/22/1147653022.db2.gz FGQJOYIWGSCLRH-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001367227138 1147666465 /nfs/dbraw/zinc/66/64/65/1147666465.db2.gz XVIQPRSULCDMEN-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201947 1147675490 /nfs/dbraw/zinc/67/54/90/1147675490.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201947 1147675491 /nfs/dbraw/zinc/67/54/91/1147675491.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201947 1147675494 /nfs/dbraw/zinc/67/54/94/1147675494.db2.gz DPQROPZZXKZDNU-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201946 1147675715 /nfs/dbraw/zinc/67/57/15/1147675715.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201946 1147675717 /nfs/dbraw/zinc/67/57/17/1147675717.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201946 1147675719 /nfs/dbraw/zinc/67/57/19/1147675719.db2.gz DPQROPZZXKZDNU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317509296 1147717939 /nfs/dbraw/zinc/71/79/39/1147717939.db2.gz HTUVVFBDEVIOQJ-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001324864990 1147854412 /nfs/dbraw/zinc/85/44/12/1147854412.db2.gz XPIOUTBUESEUTN-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001368101037 1148224944 /nfs/dbraw/zinc/22/49/44/1148224944.db2.gz DVXFVDOUPODUPZ-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)CN1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001368223476 1148341080 /nfs/dbraw/zinc/34/10/80/1148341080.db2.gz GIDMVDBBWBTSSA-MRXNPFEDSA-N 2 1 324.856 2.162 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687373 355444070 /nfs/dbraw/zinc/44/40/70/355444070.db2.gz WDNMEJZHHHJJGL-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081687374 355444114 /nfs/dbraw/zinc/44/41/14/355444114.db2.gz WDNMEJZHHHJJGL-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592311 359253479 /nfs/dbraw/zinc/25/34/79/359253479.db2.gz JHYXMVXCPHTTCA-HOTGVXAUSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592311 359253485 /nfs/dbraw/zinc/25/34/85/359253485.db2.gz JHYXMVXCPHTTCA-HOTGVXAUSA-N 2 1 316.449 2.425 20 30 DEEDMP C=CC[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668493817 540673113 /nfs/dbraw/zinc/67/31/13/540673113.db2.gz RVYVUVSSVUXRMG-INIZCTEOSA-N 2 1 315.465 2.017 20 30 DEEDMP C=CC[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668493817 540673115 /nfs/dbraw/zinc/67/31/15/540673115.db2.gz RVYVUVSSVUXRMG-INIZCTEOSA-N 2 1 315.465 2.017 20 30 DEEDMP C[C@H](CCC#N)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000602451870 360380006 /nfs/dbraw/zinc/38/00/06/360380006.db2.gz BJBTUJWCEMIXDX-KURKYZTESA-N 2 1 306.498 2.417 20 30 DEEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602770550 360543683 /nfs/dbraw/zinc/54/36/83/360543683.db2.gz UBXSXYWZKSJEOE-IRXDYDNUSA-N 2 1 304.482 2.171 20 30 DEEDMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000563154594 292034803 /nfs/dbraw/zinc/03/48/03/292034803.db2.gz RDLXLDSAGDFINW-OAHLLOKOSA-N 2 1 314.437 2.057 20 30 DEEDMP CN(C)C(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000178583316 402514309 /nfs/dbraw/zinc/51/43/09/402514309.db2.gz KTCORLCEURYAII-UHFFFAOYSA-N 2 1 300.406 2.288 20 30 DEEDMP CN(C)C(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000178583316 402514313 /nfs/dbraw/zinc/51/43/13/402514313.db2.gz KTCORLCEURYAII-UHFFFAOYSA-N 2 1 300.406 2.288 20 30 DEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCCCC1 ZINC000264110775 402840277 /nfs/dbraw/zinc/84/02/77/402840277.db2.gz QURADEQAPQPUCJ-OAHLLOKOSA-N 2 1 304.438 2.099 20 30 DEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266941493 403001586 /nfs/dbraw/zinc/00/15/86/403001586.db2.gz RKYOPCNBAGXERL-HIFRSBDPSA-N 2 1 323.400 2.488 20 30 DEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266941493 403001588 /nfs/dbraw/zinc/00/15/88/403001588.db2.gz RKYOPCNBAGXERL-HIFRSBDPSA-N 2 1 323.400 2.488 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645541 403102497 /nfs/dbraw/zinc/10/24/97/403102497.db2.gz FKPIMCWYOVHUOO-MJGOQNOKSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645541 403102499 /nfs/dbraw/zinc/10/24/99/403102499.db2.gz FKPIMCWYOVHUOO-MJGOQNOKSA-N 2 1 313.445 2.399 20 30 DEEDMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271216559 403280529 /nfs/dbraw/zinc/28/05/29/403280529.db2.gz IVRVSWMDQUBBPR-LJQANCHMSA-N 2 1 312.461 2.160 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271216559 403280530 /nfs/dbraw/zinc/28/05/30/403280530.db2.gz IVRVSWMDQUBBPR-LJQANCHMSA-N 2 1 312.461 2.160 20 30 DEEDMP C=CCN(Cc1cccs1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315510 403584428 /nfs/dbraw/zinc/58/44/28/403584428.db2.gz SRFQRNYRLYCAGW-HNNXBMFYSA-N 2 1 321.490 2.289 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346847613 403605574 /nfs/dbraw/zinc/60/55/74/403605574.db2.gz DJDRWVYJVZQQFJ-HRCADAONSA-N 2 1 302.418 2.429 20 30 DEEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304492096 403794315 /nfs/dbraw/zinc/79/43/15/403794315.db2.gz MENLRYGXEGKXAA-HIFRSBDPSA-N 2 1 304.438 2.145 20 30 DEEDMP CCCC(N)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289405499 403947326 /nfs/dbraw/zinc/94/73/26/403947326.db2.gz ORPAJPLCIWWKFQ-MRXNPFEDSA-N 2 1 305.422 2.366 20 30 DEEDMP C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290096986 404039101 /nfs/dbraw/zinc/03/91/01/404039101.db2.gz WISTXTWGMFPGEZ-KRWDZBQOSA-N 2 1 304.434 2.138 20 30 DEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371302774 404455460 /nfs/dbraw/zinc/45/54/60/404455460.db2.gz ARMXNWFVEUGVAJ-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP CC[NH+]1CCC([NH+]=C([O-])N2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000330217390 404589533 /nfs/dbraw/zinc/58/95/33/404589533.db2.gz NVQFYNMCYZOPSR-INIZCTEOSA-N 2 1 319.453 2.054 20 30 DEEDMP CC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000330217390 404589535 /nfs/dbraw/zinc/58/95/35/404589535.db2.gz NVQFYNMCYZOPSR-INIZCTEOSA-N 2 1 319.453 2.054 20 30 DEEDMP CC[NH+]1CCC([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000330217390 404589536 /nfs/dbraw/zinc/58/95/36/404589536.db2.gz NVQFYNMCYZOPSR-INIZCTEOSA-N 2 1 319.453 2.054 20 30 DEEDMP C[NH+]1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000330159175 404568768 /nfs/dbraw/zinc/56/87/68/404568768.db2.gz QSFUTOLPNVWIHB-HNNXBMFYSA-N 2 1 323.481 2.054 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000357109857 404728377 /nfs/dbraw/zinc/72/83/77/404728377.db2.gz XYCGQKQBSBCGNW-CVEARBPZSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1O ZINC000357109857 404728379 /nfs/dbraw/zinc/72/83/79/404728379.db2.gz XYCGQKQBSBCGNW-CVEARBPZSA-N 2 1 302.418 2.171 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230927 404776557 /nfs/dbraw/zinc/77/65/57/404776557.db2.gz CWKLPXXEEKBQMH-WDYCEAGBSA-N 2 1 314.429 2.212 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366230927 404776559 /nfs/dbraw/zinc/77/65/59/404776559.db2.gz CWKLPXXEEKBQMH-WDYCEAGBSA-N 2 1 314.429 2.212 20 30 DEEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531841725 406014268 /nfs/dbraw/zinc/01/42/68/406014268.db2.gz CLOYWYBCMMJREK-MRXNPFEDSA-N 2 1 322.497 2.047 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000532016125 406035465 /nfs/dbraw/zinc/03/54/65/406035465.db2.gz BIYMZZLENXSPDJ-CVEARBPZSA-N 2 1 305.447 2.087 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000566108233 406085702 /nfs/dbraw/zinc/08/57/02/406085702.db2.gz UDJKFJIDMQXKGE-KRWDZBQOSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000648452261 407182968 /nfs/dbraw/zinc/18/29/68/407182968.db2.gz RFNULOBBSPJOIL-MSOLQXFVSA-N 2 1 309.498 2.117 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252774 425601620 /nfs/dbraw/zinc/60/16/20/425601620.db2.gz OOQQZZYVVGLUBE-KRWDZBQOSA-N 2 1 302.418 2.204 20 30 DEEDMP C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000665763420 425641513 /nfs/dbraw/zinc/64/15/13/425641513.db2.gz AAQLQOITFKRMMV-IRXDYDNUSA-N 2 1 324.513 2.256 20 30 DEEDMP C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000665763420 425641515 /nfs/dbraw/zinc/64/15/15/425641515.db2.gz AAQLQOITFKRMMV-IRXDYDNUSA-N 2 1 324.513 2.256 20 30 DEEDMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C#N ZINC000444000130 533687905 /nfs/dbraw/zinc/68/79/05/533687905.db2.gz CZHKWVZDESVIDX-QGZVFWFLSA-N 2 1 313.445 2.457 20 30 DEEDMP C=C(Cl)CN1CC[C@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001378191290 1152204221 /nfs/dbraw/zinc/20/42/21/1152204221.db2.gz SVSVCUKDYDFVGX-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1ccnc1C ZINC001329953597 1149021741 /nfs/dbraw/zinc/02/17/41/1149021741.db2.gz ONFRYVCUMDJVDT-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329953597 1149021749 /nfs/dbraw/zinc/02/17/49/1149021749.db2.gz ONFRYVCUMDJVDT-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329953597 1149021754 /nfs/dbraw/zinc/02/17/54/1149021754.db2.gz ONFRYVCUMDJVDT-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955195 1149023264 /nfs/dbraw/zinc/02/32/64/1149023264.db2.gz ZPVIRMGAWGIRPT-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001401707377 1162085487 /nfs/dbraw/zinc/08/54/87/1162085487.db2.gz ZXCKXXCWLORFHC-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000159991816 525748536 /nfs/dbraw/zinc/74/85/36/525748536.db2.gz VNDRVWAPJLYTRO-AWEZNQCLSA-N 2 1 319.424 2.222 20 30 DEEDMP C=C(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338395209 526551239 /nfs/dbraw/zinc/55/12/39/526551239.db2.gz ZUZBTVFFTPQWJA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=C(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000338395209 526551244 /nfs/dbraw/zinc/55/12/44/526551244.db2.gz ZUZBTVFFTPQWJA-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=C(C)CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000262010337 526575634 /nfs/dbraw/zinc/57/56/34/526575634.db2.gz TUUKOENDUHXTJX-UHFFFAOYSA-N 2 1 301.369 2.300 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264143596 527980491 /nfs/dbraw/zinc/98/04/91/527980491.db2.gz XFOOUTKPQGPUAJ-INIZCTEOSA-N 2 1 318.465 2.489 20 30 DEEDMP CC1CC[NH+]([C@@H](CNC2=[NH+]CCN2C)c2cccs2)CC1 ZINC000262679002 528260668 /nfs/dbraw/zinc/26/06/68/528260668.db2.gz VDHNWTAHFBYXLA-AWEZNQCLSA-N 2 1 306.479 2.412 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCc2ccccc21 ZINC000263245627 528811594 /nfs/dbraw/zinc/81/15/94/528811594.db2.gz MTAWWFIIWFEWKX-HNNXBMFYSA-N 2 1 300.450 2.356 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263123957 529073538 /nfs/dbraw/zinc/07/35/38/529073538.db2.gz MIAUENJAJRMVRT-ZIAGYGMSSA-N 2 1 318.490 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001426140355 1174613903 /nfs/dbraw/zinc/61/39/03/1174613903.db2.gz UJBZTRRGLBMKKU-TZMCWYRMSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001379588288 1152647364 /nfs/dbraw/zinc/64/73/64/1152647364.db2.gz SNVMXZKGZFTEJD-DZGCQCFKSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023555652 625324787 /nfs/dbraw/zinc/32/47/87/625324787.db2.gz ZIXWVAQGFMSWCJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023555652 625324797 /nfs/dbraw/zinc/32/47/97/625324797.db2.gz ZIXWVAQGFMSWCJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023555652 625324800 /nfs/dbraw/zinc/32/48/00/625324800.db2.gz ZIXWVAQGFMSWCJ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472423 625466249 /nfs/dbraw/zinc/46/62/49/625466249.db2.gz QEFYINSZPDLCLL-HOCLYGCPSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704401 625482827 /nfs/dbraw/zinc/48/28/27/625482827.db2.gz QTNVHDJAKMKTJK-IEBWSBKVSA-N 2 1 315.461 2.182 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506894 625487714 /nfs/dbraw/zinc/48/77/14/625487714.db2.gz IIYSSRBLNLTVCW-GPANFISMSA-N 2 1 316.449 2.354 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523271 625499799 /nfs/dbraw/zinc/49/97/99/625499799.db2.gz LCIMEGUMFNENEU-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001026549230 625514780 /nfs/dbraw/zinc/51/47/80/625514780.db2.gz DRUUSIOFEYVQQR-JUVOFCAFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970177589 623281609 /nfs/dbraw/zinc/28/16/09/623281609.db2.gz YZTRQNMLDQHCLW-HUUCEWRRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506451 624927105 /nfs/dbraw/zinc/92/71/05/624927105.db2.gz QFUDRPGRWNPUKV-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139778 625151337 /nfs/dbraw/zinc/15/13/37/625151337.db2.gz SCLAPGMCFISDJK-IGKNDFSCSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C[C@H]1C ZINC000947539650 625152706 /nfs/dbraw/zinc/15/27/06/625152706.db2.gz FGBFPQLUZNVFSD-HUUCEWRRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342020 625220966 /nfs/dbraw/zinc/22/09/66/625220966.db2.gz CWPQEBWWXNWJHT-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007342020 625220968 /nfs/dbraw/zinc/22/09/68/625220968.db2.gz CWPQEBWWXNWJHT-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007342020 625220971 /nfs/dbraw/zinc/22/09/71/625220971.db2.gz CWPQEBWWXNWJHT-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402664 625255087 /nfs/dbraw/zinc/25/50/87/625255087.db2.gz QKUAZRXWHVUIGN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402664 625255095 /nfs/dbraw/zinc/25/50/95/625255095.db2.gz QKUAZRXWHVUIGN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436906 625769850 /nfs/dbraw/zinc/76/98/50/625769850.db2.gz JZFBHCGFBUEBFH-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436906 625769857 /nfs/dbraw/zinc/76/98/57/625769857.db2.gz JZFBHCGFBUEBFH-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695391 634450745 /nfs/dbraw/zinc/45/07/45/634450745.db2.gz SQMUPECFMRKVGN-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522611 625836606 /nfs/dbraw/zinc/83/66/06/625836606.db2.gz HCZXOCYXVWHREC-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522611 625836609 /nfs/dbraw/zinc/83/66/09/625836609.db2.gz HCZXOCYXVWHREC-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522611 625836617 /nfs/dbraw/zinc/83/66/17/625836617.db2.gz HCZXOCYXVWHREC-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522611 625836622 /nfs/dbraw/zinc/83/66/22/625836622.db2.gz HCZXOCYXVWHREC-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024524250 625837466 /nfs/dbraw/zinc/83/74/66/625837466.db2.gz UNLKRZBCRDQYQL-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524250 625837469 /nfs/dbraw/zinc/83/74/69/625837469.db2.gz UNLKRZBCRDQYQL-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024524250 625837471 /nfs/dbraw/zinc/83/74/71/625837471.db2.gz UNLKRZBCRDQYQL-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521152 625841612 /nfs/dbraw/zinc/84/16/12/625841612.db2.gz PJAMGFKPORXIKM-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620427 625938781 /nfs/dbraw/zinc/93/87/81/625938781.db2.gz UNQHZVZADRLDKH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620427 625938784 /nfs/dbraw/zinc/93/87/84/625938784.db2.gz UNQHZVZADRLDKH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620427 625938787 /nfs/dbraw/zinc/93/87/87/625938787.db2.gz UNQHZVZADRLDKH-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995911908 633142358 /nfs/dbraw/zinc/14/23/58/633142358.db2.gz BQFPGYBFHYQPMT-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C(C)(C)C1 ZINC000974581124 633162089 /nfs/dbraw/zinc/16/20/89/633162089.db2.gz FEFKAMLHUSUGPQ-MRXNPFEDSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996479075 633265218 /nfs/dbraw/zinc/26/52/18/633265218.db2.gz VMVWATQYMGOXTK-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1(C)C ZINC000996507586 633269317 /nfs/dbraw/zinc/26/93/17/633269317.db2.gz QFKXUMCZNDGXGV-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974762515 633295905 /nfs/dbraw/zinc/29/59/05/633295905.db2.gz ZTVRPSMOKBKNRO-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762515 633295907 /nfs/dbraw/zinc/29/59/07/633295907.db2.gz ZTVRPSMOKBKNRO-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762515 633295912 /nfs/dbraw/zinc/29/59/12/633295912.db2.gz ZTVRPSMOKBKNRO-JKSUJKDBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398464 /nfs/dbraw/zinc/39/84/64/633398464.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)CN2CCC[C@@H]2C)C(C)(C)C1 ZINC000975048490 633398469 /nfs/dbraw/zinc/39/84/69/633398469.db2.gz IORFZUQSLVXIJF-KBPBESRZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027416891 633757089 /nfs/dbraw/zinc/75/70/89/633757089.db2.gz OIBYROGEMKSWJZ-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027416891 633757094 /nfs/dbraw/zinc/75/70/94/633757094.db2.gz OIBYROGEMKSWJZ-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027416891 633757095 /nfs/dbraw/zinc/75/70/95/633757095.db2.gz OIBYROGEMKSWJZ-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027416891 633757097 /nfs/dbraw/zinc/75/70/97/633757097.db2.gz OIBYROGEMKSWJZ-RBSFLKMASA-N 2 1 313.873 2.002 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001000685894 635265305 /nfs/dbraw/zinc/26/53/05/635265305.db2.gz NBMMNIIKYFNBTR-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000671467 635272572 /nfs/dbraw/zinc/27/25/72/635272572.db2.gz HIQFTLPYPQGKCC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472654 635504784 /nfs/dbraw/zinc/50/47/84/635504784.db2.gz UDUGUBRFTIFBGD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001472654 635504786 /nfs/dbraw/zinc/50/47/86/635504786.db2.gz UDUGUBRFTIFBGD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001472654 635504790 /nfs/dbraw/zinc/50/47/90/635504790.db2.gz UDUGUBRFTIFBGD-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521956 635521028 /nfs/dbraw/zinc/52/10/28/635521028.db2.gz LAMLUOQZKGQUJY-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981894032 635715176 /nfs/dbraw/zinc/71/51/76/635715176.db2.gz XRCLGDYTDLYFJG-UHFFFAOYSA-N 2 1 310.401 2.058 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181642 635782854 /nfs/dbraw/zinc/78/28/54/635782854.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181642 635782858 /nfs/dbraw/zinc/78/28/58/635782858.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181642 635782861 /nfs/dbraw/zinc/78/28/61/635782861.db2.gz XGEXCWUPSQUHCQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002809513 635802027 /nfs/dbraw/zinc/80/20/27/635802027.db2.gz HFQLATMOUWSWQS-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081726 635863232 /nfs/dbraw/zinc/86/32/32/635863232.db2.gz XUNFAOHGAYCAMR-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982116070 635874804 /nfs/dbraw/zinc/87/48/04/635874804.db2.gz FHRGCOPTJDLWSJ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004375750 636403574 /nfs/dbraw/zinc/40/35/74/636403574.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004375750 636403578 /nfs/dbraw/zinc/40/35/78/636403578.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004375750 636403580 /nfs/dbraw/zinc/40/35/80/636403580.db2.gz SKGWIZZQONCFIF-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594444 636463788 /nfs/dbraw/zinc/46/37/88/636463788.db2.gz GZOHPFMJBIBSPH-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594444 636463790 /nfs/dbraw/zinc/46/37/90/636463790.db2.gz GZOHPFMJBIBSPH-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594444 636463791 /nfs/dbraw/zinc/46/37/91/636463791.db2.gz GZOHPFMJBIBSPH-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946616121 636465154 /nfs/dbraw/zinc/46/51/54/636465154.db2.gz WJMGEAVXXKOVTM-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616121 636465158 /nfs/dbraw/zinc/46/51/58/636465158.db2.gz WJMGEAVXXKOVTM-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946616121 636465162 /nfs/dbraw/zinc/46/51/62/636465162.db2.gz WJMGEAVXXKOVTM-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004521861 636475525 /nfs/dbraw/zinc/47/55/25/636475525.db2.gz GXQVVKIMCXVIMO-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644452 636525737 /nfs/dbraw/zinc/52/57/37/636525737.db2.gz CTVCNKXYNYSPOV-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644452 636525739 /nfs/dbraw/zinc/52/57/39/636525739.db2.gz CTVCNKXYNYSPOV-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644452 636525742 /nfs/dbraw/zinc/52/57/42/636525742.db2.gz CTVCNKXYNYSPOV-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779191 636646707 /nfs/dbraw/zinc/64/67/07/636646707.db2.gz JJVVVGGKSNIHFQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779191 636646715 /nfs/dbraw/zinc/64/67/15/636646715.db2.gz JJVVVGGKSNIHFQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784231 636650848 /nfs/dbraw/zinc/65/08/48/636650848.db2.gz DNQKWQFNXRZENB-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028709579 636654852 /nfs/dbraw/zinc/65/48/52/636654852.db2.gz BGBCEZCYKODBHJ-INIZCTEOSA-N 2 1 315.461 2.028 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005503204 636753154 /nfs/dbraw/zinc/75/31/54/636753154.db2.gz IUPLPZJZQKWHPG-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003027 636944286 /nfs/dbraw/zinc/94/42/86/636944286.db2.gz GYVOYWVMZHAWCH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029003285 636945464 /nfs/dbraw/zinc/94/54/64/636945464.db2.gz KHRNPPCLVQMMBN-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001029003285 636945466 /nfs/dbraw/zinc/94/54/66/636945466.db2.gz KHRNPPCLVQMMBN-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003285 636945468 /nfs/dbraw/zinc/94/54/68/636945468.db2.gz KHRNPPCLVQMMBN-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001029003285 636945470 /nfs/dbraw/zinc/94/54/70/636945470.db2.gz KHRNPPCLVQMMBN-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309009 637109254 /nfs/dbraw/zinc/10/92/54/637109254.db2.gz HYSWGFODKLJJSL-KRWDZBQOSA-N 2 1 302.418 2.062 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000923358474 637132811 /nfs/dbraw/zinc/13/28/11/637132811.db2.gz HMELWKOEDXBJNZ-IPMKNSEASA-N 2 1 313.445 2.303 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000923497346 637213961 /nfs/dbraw/zinc/21/39/61/637213961.db2.gz DRNYAVFNNZEIRO-CJNGLKHVSA-N 2 1 303.450 2.390 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000894863621 637272144 /nfs/dbraw/zinc/27/21/44/637272144.db2.gz NWKIPXLICODTOW-UHFFFAOYSA-N 2 1 308.809 2.171 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000894863621 637272149 /nfs/dbraw/zinc/27/21/49/637272149.db2.gz NWKIPXLICODTOW-UHFFFAOYSA-N 2 1 308.809 2.171 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985750509 639614805 /nfs/dbraw/zinc/61/48/05/639614805.db2.gz GNHFEWVKEURRND-WBVHZDCISA-N 2 1 307.482 2.216 20 30 DEEDMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000263096535 640032692 /nfs/dbraw/zinc/03/26/92/640032692.db2.gz JLGWQGIFXLDGPI-GOEBONIOSA-N 2 1 316.449 2.146 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989737543 641215666 /nfs/dbraw/zinc/21/56/66/641215666.db2.gz SEYCYSHDFJVYRD-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000783292316 642993300 /nfs/dbraw/zinc/99/33/00/642993300.db2.gz AEIAYLXPEPLDDS-DNVCBOLYSA-N 2 1 321.428 2.348 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1ccc(C#N)cn1 ZINC000783292316 642993305 /nfs/dbraw/zinc/99/33/05/642993305.db2.gz AEIAYLXPEPLDDS-DNVCBOLYSA-N 2 1 321.428 2.348 20 30 DEEDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871365 643166176 /nfs/dbraw/zinc/16/61/76/643166176.db2.gz MYAMRENZORUWFO-OWCLPIDISA-N 2 1 316.449 2.493 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000913724539 647018699 /nfs/dbraw/zinc/01/86/99/647018699.db2.gz KLHPYLFRZBTVRV-SFHVURJKSA-N 2 1 315.461 2.193 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992499100 647075194 /nfs/dbraw/zinc/07/51/94/647075194.db2.gz GVRXJBGSDTYJJA-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992499100 647075195 /nfs/dbraw/zinc/07/51/95/647075195.db2.gz GVRXJBGSDTYJJA-AEFFLSMTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993358125 647626206 /nfs/dbraw/zinc/62/62/06/647626206.db2.gz YOEFKZURLHXHHI-ZBFHGGJFSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCN1CCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC000993358125 647626207 /nfs/dbraw/zinc/62/62/07/647626207.db2.gz YOEFKZURLHXHHI-ZBFHGGJFSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883136 648589143 /nfs/dbraw/zinc/58/91/43/648589143.db2.gz YYFIFVAKDXTQFH-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624476 648908151 /nfs/dbraw/zinc/90/81/51/648908151.db2.gz HYSRXANWKCBPTO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624476 648908154 /nfs/dbraw/zinc/90/81/54/648908154.db2.gz HYSRXANWKCBPTO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624476 648908155 /nfs/dbraw/zinc/90/81/55/648908155.db2.gz HYSRXANWKCBPTO-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842949 648955175 /nfs/dbraw/zinc/95/51/75/648955175.db2.gz TUSKXVQCAWHMLT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842949 648955178 /nfs/dbraw/zinc/95/51/78/648955178.db2.gz TUSKXVQCAWHMLT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842949 648955180 /nfs/dbraw/zinc/95/51/80/648955180.db2.gz TUSKXVQCAWHMLT-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864640 648957441 /nfs/dbraw/zinc/95/74/41/648957441.db2.gz LPSYVXSJMVLENL-INIZCTEOSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031572 648989640 /nfs/dbraw/zinc/98/96/40/648989640.db2.gz ASHRQTKEWBGJOZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031572 648989643 /nfs/dbraw/zinc/98/96/43/648989643.db2.gz ASHRQTKEWBGJOZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941031572 648989644 /nfs/dbraw/zinc/98/96/44/648989644.db2.gz ASHRQTKEWBGJOZ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203331 649183199 /nfs/dbraw/zinc/18/31/99/649183199.db2.gz GXUCUBSYSZOGKB-KDOFPFPSSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942287596 649200547 /nfs/dbraw/zinc/20/05/47/649200547.db2.gz LPSDFCWXRMAKLE-PBHICJAKSA-N 2 1 312.417 2.351 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000848996581 651575868 /nfs/dbraw/zinc/57/58/68/651575868.db2.gz HHYKHWPBXIGPQM-INIZCTEOSA-N 2 1 300.450 2.226 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001394513920 1158602610 /nfs/dbraw/zinc/60/26/10/1158602610.db2.gz BGBGWRITJDEIET-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146416 693862446 /nfs/dbraw/zinc/86/24/46/693862446.db2.gz DAGYPKXPXRVVDJ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146416 693862451 /nfs/dbraw/zinc/86/24/51/693862451.db2.gz DAGYPKXPXRVVDJ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146416 693862455 /nfs/dbraw/zinc/86/24/55/693862455.db2.gz DAGYPKXPXRVVDJ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228558 693891200 /nfs/dbraw/zinc/89/12/00/693891200.db2.gz SWKXYUFTHNSBRB-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228558 693891202 /nfs/dbraw/zinc/89/12/02/693891202.db2.gz SWKXYUFTHNSBRB-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228558 693891203 /nfs/dbraw/zinc/89/12/03/693891203.db2.gz SWKXYUFTHNSBRB-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP COc1ccc([C@@H](CNC(=[NH2+])NCC(C)C)[NH+]2CCCC2)cc1 ZINC000303698518 685233042 /nfs/dbraw/zinc/23/30/42/685233042.db2.gz GJRQUCXCGKTRFC-QGZVFWFLSA-N 2 1 318.465 2.392 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000865641179 687287611 /nfs/dbraw/zinc/28/76/11/687287611.db2.gz UUPNYGVOAWFNHI-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000865641179 687287615 /nfs/dbraw/zinc/28/76/15/687287615.db2.gz UUPNYGVOAWFNHI-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736631 687951217 /nfs/dbraw/zinc/95/12/17/687951217.db2.gz WMHQTTPGWQPPTK-CALCHBBNSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017736631 687951224 /nfs/dbraw/zinc/95/12/24/687951224.db2.gz WMHQTTPGWQPPTK-CALCHBBNSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001019465121 688361489 /nfs/dbraw/zinc/36/14/89/688361489.db2.gz ZTJPWPGKIYZCII-AWEZNQCLSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001019825665 688413941 /nfs/dbraw/zinc/41/39/41/688413941.db2.gz JIMWMBLIIIMCSB-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000997 688548785 /nfs/dbraw/zinc/54/87/85/688548785.db2.gz NMTHPZJBWGMZBJ-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143814 689402762 /nfs/dbraw/zinc/40/27/62/689402762.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143814 689402764 /nfs/dbraw/zinc/40/27/64/689402764.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143814 689402766 /nfs/dbraw/zinc/40/27/66/689402766.db2.gz MJXALEGFYZKLRV-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223626 689430202 /nfs/dbraw/zinc/43/02/02/689430202.db2.gz RUCWLFIEKKRMNO-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223626 689430203 /nfs/dbraw/zinc/43/02/03/689430203.db2.gz RUCWLFIEKKRMNO-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223626 689430204 /nfs/dbraw/zinc/43/02/04/689430204.db2.gz RUCWLFIEKKRMNO-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285335 689794674 /nfs/dbraw/zinc/79/46/74/689794674.db2.gz BTAJXABKCKQPJD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285335 689794676 /nfs/dbraw/zinc/79/46/76/689794676.db2.gz BTAJXABKCKQPJD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285335 689794678 /nfs/dbraw/zinc/79/46/78/689794678.db2.gz BTAJXABKCKQPJD-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034328812 689810535 /nfs/dbraw/zinc/81/05/35/689810535.db2.gz DUPYUSFSELJMQU-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034364860 689824509 /nfs/dbraw/zinc/82/45/09/689824509.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364860 689824511 /nfs/dbraw/zinc/82/45/11/689824511.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034364860 689824512 /nfs/dbraw/zinc/82/45/12/689824512.db2.gz WXFWBSFIOJRNGA-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034393371 689833072 /nfs/dbraw/zinc/83/30/72/689833072.db2.gz DEIHTNBSYDUBTF-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034393371 689833075 /nfs/dbraw/zinc/83/30/75/689833075.db2.gz DEIHTNBSYDUBTF-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034393371 689833079 /nfs/dbraw/zinc/83/30/79/689833079.db2.gz DEIHTNBSYDUBTF-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432348 689848699 /nfs/dbraw/zinc/84/86/99/689848699.db2.gz VFCSPLLJUMJWBW-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034462908 689858951 /nfs/dbraw/zinc/85/89/51/689858951.db2.gz QBRVMVRETHXASC-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000876765018 689930275 /nfs/dbraw/zinc/93/02/75/689930275.db2.gz YHVAAXMSWMOHTR-UONOGXRCSA-N 2 1 315.889 2.473 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198544 690057196 /nfs/dbraw/zinc/05/71/96/690057196.db2.gz LVNVQGAOTCLOBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198544 690057201 /nfs/dbraw/zinc/05/72/01/690057201.db2.gz LVNVQGAOTCLOBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198544 690057204 /nfs/dbraw/zinc/05/72/04/690057204.db2.gz LVNVQGAOTCLOBS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036202199 690289276 /nfs/dbraw/zinc/28/92/76/690289276.db2.gz GVBFXNMOZZRWGZ-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C[N@@H+]1C[C@]2(C)C[NH+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931314203 694365450 /nfs/dbraw/zinc/36/54/50/694365450.db2.gz KCPRRPOJRRZREG-CALCHBBNSA-N 2 1 305.466 2.361 20 30 DEEDMP C[N@H+]1C[C@]2(C)C[NH+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931314203 694365453 /nfs/dbraw/zinc/36/54/53/694365453.db2.gz KCPRRPOJRRZREG-CALCHBBNSA-N 2 1 305.466 2.361 20 30 DEEDMP C[NH+]1C[C@]2(C)C[N@H+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931314203 694365458 /nfs/dbraw/zinc/36/54/58/694365458.db2.gz KCPRRPOJRRZREG-CALCHBBNSA-N 2 1 305.466 2.361 20 30 DEEDMP C[NH+]1C[C@]2(C)C[N@@H+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931314203 694365460 /nfs/dbraw/zinc/36/54/60/694365460.db2.gz KCPRRPOJRRZREG-CALCHBBNSA-N 2 1 305.466 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810153 690481287 /nfs/dbraw/zinc/48/12/87/690481287.db2.gz WPVTVSPMVBWZNO-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037926105 690641742 /nfs/dbraw/zinc/64/17/42/690641742.db2.gz MFLBPOFQBUOVDC-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248488 690756944 /nfs/dbraw/zinc/75/69/44/690756944.db2.gz MZRNVCHSFCBMQO-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248488 690756947 /nfs/dbraw/zinc/75/69/47/690756947.db2.gz MZRNVCHSFCBMQO-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248488 690756950 /nfs/dbraw/zinc/75/69/50/690756950.db2.gz MZRNVCHSFCBMQO-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248488 690756953 /nfs/dbraw/zinc/75/69/53/690756953.db2.gz MZRNVCHSFCBMQO-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355056 690792393 /nfs/dbraw/zinc/79/23/93/690792393.db2.gz XISNZSVKDRGIQK-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355056 690792396 /nfs/dbraw/zinc/79/23/96/690792396.db2.gz XISNZSVKDRGIQK-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355056 690792398 /nfs/dbraw/zinc/79/23/98/690792398.db2.gz XISNZSVKDRGIQK-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038355056 690792399 /nfs/dbraw/zinc/79/23/99/690792399.db2.gz XISNZSVKDRGIQK-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355057 690793296 /nfs/dbraw/zinc/79/32/96/690793296.db2.gz XISNZSVKDRGIQK-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355057 690793299 /nfs/dbraw/zinc/79/32/99/690793299.db2.gz XISNZSVKDRGIQK-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355057 690793302 /nfs/dbraw/zinc/79/33/02/690793302.db2.gz XISNZSVKDRGIQK-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038355057 690793304 /nfs/dbraw/zinc/79/33/04/690793304.db2.gz XISNZSVKDRGIQK-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039394234 691096927 /nfs/dbraw/zinc/09/69/27/691096927.db2.gz PJJOWYGTIDQTHV-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039394234 691096929 /nfs/dbraw/zinc/09/69/29/691096929.db2.gz PJJOWYGTIDQTHV-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039394234 691096933 /nfs/dbraw/zinc/09/69/33/691096933.db2.gz PJJOWYGTIDQTHV-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460159 691111067 /nfs/dbraw/zinc/11/10/67/691111067.db2.gz BQZNJMSOCMJQQW-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460159 691111072 /nfs/dbraw/zinc/11/10/72/691111072.db2.gz BQZNJMSOCMJQQW-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460159 691111076 /nfs/dbraw/zinc/11/10/76/691111076.db2.gz BQZNJMSOCMJQQW-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474644 691115148 /nfs/dbraw/zinc/11/51/48/691115148.db2.gz SNOCAYPXMYHWBD-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241360 /nfs/dbraw/zinc/24/13/60/691241360.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241363 /nfs/dbraw/zinc/24/13/63/691241363.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394150 691241365 /nfs/dbraw/zinc/24/13/65/691241365.db2.gz IQYBGZBJDPZCER-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849317 691292660 /nfs/dbraw/zinc/29/26/60/691292660.db2.gz QIXZKHOXPJSGLF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041285376 691355989 /nfs/dbraw/zinc/35/59/89/691355989.db2.gz DQEIVFVSIHYWER-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408136 691372821 /nfs/dbraw/zinc/37/28/21/691372821.db2.gz KWZMMPBEFSQZPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408136 691372825 /nfs/dbraw/zinc/37/28/25/691372825.db2.gz KWZMMPBEFSQZPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408136 691372827 /nfs/dbraw/zinc/37/28/27/691372827.db2.gz KWZMMPBEFSQZPR-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000883131316 691436752 /nfs/dbraw/zinc/43/67/52/691436752.db2.gz VUYMLJYEPPPALQ-UHFFFAOYSA-N 2 1 300.406 2.033 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000883131316 691436755 /nfs/dbraw/zinc/43/67/55/691436755.db2.gz VUYMLJYEPPPALQ-UHFFFAOYSA-N 2 1 300.406 2.033 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188264 691532131 /nfs/dbraw/zinc/53/21/31/691532131.db2.gz RGCKWYPQNSEWBJ-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042353890 691579618 /nfs/dbraw/zinc/57/96/18/691579618.db2.gz BNJRJCTZYFPGDN-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042353890 691579622 /nfs/dbraw/zinc/57/96/22/691579622.db2.gz BNJRJCTZYFPGDN-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045557295 691996838 /nfs/dbraw/zinc/99/68/38/691996838.db2.gz FYYODVFSDVGOJA-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942812 692058897 /nfs/dbraw/zinc/05/88/97/692058897.db2.gz AFLUHOYTQRHABV-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045964915 692064433 /nfs/dbraw/zinc/06/44/33/692064433.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964915 692064434 /nfs/dbraw/zinc/06/44/34/692064434.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045964915 692064436 /nfs/dbraw/zinc/06/44/36/692064436.db2.gz AATIADUROXHAKG-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094672 692762184 /nfs/dbraw/zinc/76/21/84/692762184.db2.gz OWCVNKDXWLMBBQ-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001049370353 692858101 /nfs/dbraw/zinc/85/81/01/692858101.db2.gz UYKWBFRVRSPXIE-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049370353 692858104 /nfs/dbraw/zinc/85/81/04/692858104.db2.gz UYKWBFRVRSPXIE-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C ZINC001049370353 692858107 /nfs/dbraw/zinc/85/81/07/692858107.db2.gz UYKWBFRVRSPXIE-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480515 692895496 /nfs/dbraw/zinc/89/54/96/692895496.db2.gz FOZLJWSDBTXADM-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480515 692895499 /nfs/dbraw/zinc/89/54/99/692895499.db2.gz FOZLJWSDBTXADM-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480515 692895503 /nfs/dbraw/zinc/89/55/03/692895503.db2.gz FOZLJWSDBTXADM-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531986 692914348 /nfs/dbraw/zinc/91/43/48/692914348.db2.gz FXRWSOSMHHCCAJ-ZACQAIPSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568676 692924464 /nfs/dbraw/zinc/92/44/64/692924464.db2.gz VWTNHEVTNHERPA-SJORKVTESA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671192 692960941 /nfs/dbraw/zinc/96/09/41/692960941.db2.gz IZAREKSUMCOUDJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671192 692960943 /nfs/dbraw/zinc/96/09/43/692960943.db2.gz IZAREKSUMCOUDJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671192 692960944 /nfs/dbraw/zinc/96/09/44/692960944.db2.gz IZAREKSUMCOUDJ-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675584 692962794 /nfs/dbraw/zinc/96/27/94/692962794.db2.gz IDTKUXGSQTUSPP-HOTGVXAUSA-N 2 1 317.433 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C[NH+](C)C ZINC001049675584 692962798 /nfs/dbraw/zinc/96/27/98/692962798.db2.gz IDTKUXGSQTUSPP-HOTGVXAUSA-N 2 1 317.433 2.206 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702208 692968468 /nfs/dbraw/zinc/96/84/68/692968468.db2.gz FXRWSOSMHHCCAJ-BRWVUGGUSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727261 692977581 /nfs/dbraw/zinc/97/75/81/692977581.db2.gz ISXYBHLZRXFOFG-BBWFWOEESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846199 693020403 /nfs/dbraw/zinc/02/04/03/693020403.db2.gz GIYSGOOUNINOGJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919243 693048048 /nfs/dbraw/zinc/04/80/48/693048048.db2.gz OFXJAUUMUUFSLA-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919243 693048053 /nfs/dbraw/zinc/04/80/53/693048053.db2.gz OFXJAUUMUUFSLA-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919243 693048057 /nfs/dbraw/zinc/04/80/57/693048057.db2.gz OFXJAUUMUUFSLA-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925645593 693315822 /nfs/dbraw/zinc/31/58/22/693315822.db2.gz QVTJNRCODXMYSV-LHUBUQBQSA-N 2 1 314.433 2.373 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC(N[C@H]3C[C@H]([NH3+])C34CCC4)CC2)c1 ZINC000925702139 693326687 /nfs/dbraw/zinc/32/66/87/693326687.db2.gz LZLITPOYJWDAFP-OALUTQOASA-N 2 1 324.472 2.382 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052370014 693517387 /nfs/dbraw/zinc/51/73/87/693517387.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370014 693517392 /nfs/dbraw/zinc/51/73/92/693517392.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370014 693517396 /nfs/dbraw/zinc/51/73/96/693517396.db2.gz XVPOWXHVAGSLGT-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052497498 693549585 /nfs/dbraw/zinc/54/95/85/693549585.db2.gz CIWLRGCEAJDFOZ-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052497498 693549587 /nfs/dbraw/zinc/54/95/87/693549587.db2.gz CIWLRGCEAJDFOZ-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052497498 693549589 /nfs/dbraw/zinc/54/95/89/693549589.db2.gz CIWLRGCEAJDFOZ-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052765435 693615564 /nfs/dbraw/zinc/61/55/64/693615564.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052765435 693615566 /nfs/dbraw/zinc/61/55/66/693615566.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001052765435 693615568 /nfs/dbraw/zinc/61/55/68/693615568.db2.gz ZKBHPALONZORGS-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052864984 693636493 /nfs/dbraw/zinc/63/64/93/693636493.db2.gz BXQHYMZYHOPEGP-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052864984 693636496 /nfs/dbraw/zinc/63/64/96/693636496.db2.gz BXQHYMZYHOPEGP-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052864984 693636499 /nfs/dbraw/zinc/63/64/99/693636499.db2.gz BXQHYMZYHOPEGP-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001052864987 693637195 /nfs/dbraw/zinc/63/71/95/693637195.db2.gz BXQHYMZYHOPEGP-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052864987 693637197 /nfs/dbraw/zinc/63/71/97/693637197.db2.gz BXQHYMZYHOPEGP-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001052864987 693637198 /nfs/dbraw/zinc/63/71/98/693637198.db2.gz BXQHYMZYHOPEGP-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052899370 693644074 /nfs/dbraw/zinc/64/40/74/693644074.db2.gz SUXVMMJBGXUFFE-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001052899370 693644077 /nfs/dbraw/zinc/64/40/77/693644077.db2.gz SUXVMMJBGXUFFE-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001052899370 693644078 /nfs/dbraw/zinc/64/40/78/693644078.db2.gz SUXVMMJBGXUFFE-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332808599 1149895083 /nfs/dbraw/zinc/89/50/83/1149895083.db2.gz VBBYWFGRZYDHKN-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332808599 1149895086 /nfs/dbraw/zinc/89/50/86/1149895086.db2.gz VBBYWFGRZYDHKN-IRXDYDNUSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001354500961 1151899119 /nfs/dbraw/zinc/89/91/19/1151899119.db2.gz XEQOQFREWZJHIW-QZTJIDSGSA-N 2 1 315.461 2.369 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001381136715 1152923592 /nfs/dbraw/zinc/92/35/92/1152923592.db2.gz VBPVKWLFZXKXHV-KBPBESRZSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001381136715 1152923595 /nfs/dbraw/zinc/92/35/95/1152923595.db2.gz VBPVKWLFZXKXHV-KBPBESRZSA-N 2 1 315.889 2.296 20 30 DEEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265542 /nfs/dbraw/zinc/26/55/42/1153265542.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265546 /nfs/dbraw/zinc/26/55/46/1153265546.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 2 1 301.434 2.254 20 30 DEEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)[C@H](C)C1 ZINC001363200573 1153265549 /nfs/dbraw/zinc/26/55/49/1153265549.db2.gz XMDOESCLKZTDMR-FHLIZLRMSA-N 2 1 301.434 2.254 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391117270 1156136544 /nfs/dbraw/zinc/13/65/44/1156136544.db2.gz LRVMHVLMLKNZIV-OAHLLOKOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391117270 1156136570 /nfs/dbraw/zinc/13/65/70/1156136570.db2.gz LRVMHVLMLKNZIV-OAHLLOKOSA-N 2 1 313.873 2.053 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001397120475 1160002658 /nfs/dbraw/zinc/00/26/58/1160002658.db2.gz GRXLFAKUWXWUFQ-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794695 1161105620 /nfs/dbraw/zinc/10/56/20/1161105620.db2.gz PRXOMXNBKKEKIE-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001400987638 1161856294 /nfs/dbraw/zinc/85/62/94/1161856294.db2.gz IMQOHVBDMWAYFK-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001404618220 1163754531 /nfs/dbraw/zinc/75/45/31/1163754531.db2.gz KSUQCJRTYKJCFC-UHFFFAOYSA-N 2 1 324.856 2.114 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001404618220 1163754539 /nfs/dbraw/zinc/75/45/39/1163754539.db2.gz KSUQCJRTYKJCFC-UHFFFAOYSA-N 2 1 324.856 2.114 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001407117840 1164989686 /nfs/dbraw/zinc/98/96/86/1164989686.db2.gz HHSUZRGGKPTFNF-UHFFFAOYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001418654408 1167866069 /nfs/dbraw/zinc/86/60/69/1167866069.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001418654408 1167866074 /nfs/dbraw/zinc/86/60/74/1167866074.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001418654408 1167866075 /nfs/dbraw/zinc/86/60/75/1167866075.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418654408 1167866082 /nfs/dbraw/zinc/86/60/82/1167866082.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001418654408 1167866085 /nfs/dbraw/zinc/86/60/85/1167866085.db2.gz AZNCZIGGSUOKMD-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001420919066 1171348415 /nfs/dbraw/zinc/34/84/15/1171348415.db2.gz BBFPNYBRLILJCT-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458264 1178583464 /nfs/dbraw/zinc/58/34/64/1178583464.db2.gz XPXOSLRMIHYJSK-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458264 1178583479 /nfs/dbraw/zinc/58/34/79/1178583479.db2.gz XPXOSLRMIHYJSK-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458264 1178583515 /nfs/dbraw/zinc/58/35/15/1178583515.db2.gz XPXOSLRMIHYJSK-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001434458264 1178583531 /nfs/dbraw/zinc/58/35/31/1178583531.db2.gz XPXOSLRMIHYJSK-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001436676159 1179182506 /nfs/dbraw/zinc/18/25/06/1179182506.db2.gz YLIFIFFSKABCDB-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001437308987 1179709811 /nfs/dbraw/zinc/70/98/11/1179709811.db2.gz HNPSMQXQIWQRBJ-CQSZACIVSA-N 2 1 324.856 2.197 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001439418040 1181081236 /nfs/dbraw/zinc/08/12/36/1181081236.db2.gz LARMYZIXHNIWIX-LSDHHAIUSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001443374490 1182959471 /nfs/dbraw/zinc/95/94/71/1182959471.db2.gz WSYSYXCFPGJVHG-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001443374490 1182959485 /nfs/dbraw/zinc/95/94/85/1182959485.db2.gz WSYSYXCFPGJVHG-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001443374490 1182959507 /nfs/dbraw/zinc/95/95/07/1182959507.db2.gz WSYSYXCFPGJVHG-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907814 790298507 /nfs/dbraw/zinc/29/85/07/790298507.db2.gz ZCDLJGVFZFOREZ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907814 790298512 /nfs/dbraw/zinc/29/85/12/790298512.db2.gz ZCDLJGVFZFOREZ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907814 790298519 /nfs/dbraw/zinc/29/85/19/790298519.db2.gz ZCDLJGVFZFOREZ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC001332992005 1149948379 /nfs/dbraw/zinc/94/83/79/1149948379.db2.gz RSKGTSINQQKXRZ-SFHVURJKSA-N 2 1 313.445 2.413 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321913 782652858 /nfs/dbraw/zinc/65/28/58/782652858.db2.gz HOJKVWISQRZZNV-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419431 783088185 /nfs/dbraw/zinc/08/81/85/783088185.db2.gz GKZPSFAJCVEKQG-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419431 783088189 /nfs/dbraw/zinc/08/81/89/783088189.db2.gz GKZPSFAJCVEKQG-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419431 783088193 /nfs/dbraw/zinc/08/81/93/783088193.db2.gz GKZPSFAJCVEKQG-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471405 783146186 /nfs/dbraw/zinc/14/61/86/783146186.db2.gz BTTDIYCMBBJVQT-GDBMZVCRSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073118058 790468300 /nfs/dbraw/zinc/46/83/00/790468300.db2.gz DRFZHTHRIVCLMU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073118058 790468304 /nfs/dbraw/zinc/46/83/04/790468304.db2.gz DRFZHTHRIVCLMU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073118058 790468310 /nfs/dbraw/zinc/46/83/10/790468310.db2.gz DRFZHTHRIVCLMU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125548 790472654 /nfs/dbraw/zinc/47/26/54/790472654.db2.gz AKMJLLPFGFKBTF-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167732586 778192703 /nfs/dbraw/zinc/19/27/03/778192703.db2.gz IMFVAOZFBJJTGB-MRXNPFEDSA-N 2 1 307.482 2.171 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908571 778244702 /nfs/dbraw/zinc/24/47/02/778244702.db2.gz BZCJTZACDHADJF-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696902 779414063 /nfs/dbraw/zinc/41/40/63/779414063.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696902 779414066 /nfs/dbraw/zinc/41/40/66/779414066.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696902 779414070 /nfs/dbraw/zinc/41/40/70/779414070.db2.gz RWNXADOPUCBUQH-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749642 779437043 /nfs/dbraw/zinc/43/70/43/779437043.db2.gz SSINYOZKAPTJPR-KSZLIROESA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2CC)CC1 ZINC001087840204 779477808 /nfs/dbraw/zinc/47/78/08/779477808.db2.gz LZHHIMRHTZLUJE-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972156 779582917 /nfs/dbraw/zinc/58/29/17/779582917.db2.gz OYPAPCALPVRCPE-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972156 779582925 /nfs/dbraw/zinc/58/29/25/779582925.db2.gz OYPAPCALPVRCPE-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972156 779582930 /nfs/dbraw/zinc/58/29/30/779582930.db2.gz OYPAPCALPVRCPE-VSZNYVQBSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993493 779621264 /nfs/dbraw/zinc/62/12/64/779621264.db2.gz QCXMBVQLHDVCGE-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001088347849 780005613 /nfs/dbraw/zinc/00/56/13/780005613.db2.gz DNVLXUQDQAKBAP-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947882541 783256165 /nfs/dbraw/zinc/25/61/65/783256165.db2.gz UXEDDNKLAWNCLA-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001089659378 783332584 /nfs/dbraw/zinc/33/25/84/783332584.db2.gz ZDCPYOITRKCJCW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089659378 783332594 /nfs/dbraw/zinc/33/25/94/783332594.db2.gz ZDCPYOITRKCJCW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089659378 783332602 /nfs/dbraw/zinc/33/26/02/783332602.db2.gz ZDCPYOITRKCJCW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659378 783332609 /nfs/dbraw/zinc/33/26/09/783332609.db2.gz ZDCPYOITRKCJCW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089659378 783332618 /nfs/dbraw/zinc/33/26/18/783332618.db2.gz ZDCPYOITRKCJCW-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664852 783337571 /nfs/dbraw/zinc/33/75/71/783337571.db2.gz OVICEQSFLIKQRJ-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001085333049 783642029 /nfs/dbraw/zinc/64/20/29/783642029.db2.gz XJAYEOTUMITIBQ-BPLDGKMQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266067 783916873 /nfs/dbraw/zinc/91/68/73/783916873.db2.gz ZKNCYZDXCWHWPH-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707118 784097039 /nfs/dbraw/zinc/09/70/39/784097039.db2.gz CPCWOWFIFQNWOO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875931 784166470 /nfs/dbraw/zinc/16/64/70/784166470.db2.gz MRZRYYPPADHABH-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875931 784166473 /nfs/dbraw/zinc/16/64/73/784166473.db2.gz MRZRYYPPADHABH-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001085915777 784213758 /nfs/dbraw/zinc/21/37/58/784213758.db2.gz KMMGMRVECSHBLT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085915777 784213765 /nfs/dbraw/zinc/21/37/65/784213765.db2.gz KMMGMRVECSHBLT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915777 784213774 /nfs/dbraw/zinc/21/37/74/784213774.db2.gz KMMGMRVECSHBLT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085915777 784213780 /nfs/dbraw/zinc/21/37/80/784213780.db2.gz KMMGMRVECSHBLT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058877 784215001 /nfs/dbraw/zinc/21/50/01/784215001.db2.gz NJIYWJJIIAXRRY-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968058877 784215008 /nfs/dbraw/zinc/21/50/08/784215008.db2.gz NJIYWJJIIAXRRY-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001091198622 791019878 /nfs/dbraw/zinc/01/98/78/791019878.db2.gz MQQCUKNDQFTLBW-AQFXKWCLSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002105 784686607 /nfs/dbraw/zinc/68/66/07/784686607.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002105 784686613 /nfs/dbraw/zinc/68/66/13/784686613.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002105 784686619 /nfs/dbraw/zinc/68/66/19/784686619.db2.gz KSINSHCBDKKZSA-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064463 785095621 /nfs/dbraw/zinc/09/56/21/785095621.db2.gz VQTIFEHAUCKIBP-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001091377160 791123000 /nfs/dbraw/zinc/12/30/00/791123000.db2.gz BXKCPUYGVGSTGI-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669121 785982611 /nfs/dbraw/zinc/98/26/11/785982611.db2.gz OYUVINNGQVOQIH-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109671542 785982924 /nfs/dbraw/zinc/98/29/24/785982924.db2.gz OREICERMTKIVHY-BGTYHANMSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113248184 786473810 /nfs/dbraw/zinc/47/38/10/786473810.db2.gz UHRAZMXKGDEZEK-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724328 786725129 /nfs/dbraw/zinc/72/51/29/786725129.db2.gz UHANWYRJCSJWQI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724328 786725136 /nfs/dbraw/zinc/72/51/36/786725136.db2.gz UHANWYRJCSJWQI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724328 786725145 /nfs/dbraw/zinc/72/51/45/786725145.db2.gz UHANWYRJCSJWQI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130189590 787309831 /nfs/dbraw/zinc/30/98/31/787309831.db2.gz QGKBUDJCKDJZFR-SJORKVTESA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015491 787449858 /nfs/dbraw/zinc/44/98/58/787449858.db2.gz HYUNIYGOBHPSBR-LLDVTBCESA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015491 787449859 /nfs/dbraw/zinc/44/98/59/787449859.db2.gz HYUNIYGOBHPSBR-LLDVTBCESA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015491 787449862 /nfs/dbraw/zinc/44/98/62/787449862.db2.gz HYUNIYGOBHPSBR-LLDVTBCESA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609483 787765891 /nfs/dbraw/zinc/76/58/91/787765891.db2.gz OWJGKGNQRRNEES-NJAFHUGGSA-N 2 1 313.445 2.269 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481052 787780662 /nfs/dbraw/zinc/78/06/62/787780662.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158481052 787780666 /nfs/dbraw/zinc/78/06/66/787780666.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158481052 787780670 /nfs/dbraw/zinc/78/06/70/787780670.db2.gz WPXLDYOSXJHVQZ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097104411 787982388 /nfs/dbraw/zinc/98/23/88/787982388.db2.gz VKMFNHBNGPRUCH-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104411 787982395 /nfs/dbraw/zinc/98/23/95/787982395.db2.gz VKMFNHBNGPRUCH-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104411 787982399 /nfs/dbraw/zinc/98/23/99/787982399.db2.gz VKMFNHBNGPRUCH-JJTUDDRGSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210531 788021323 /nfs/dbraw/zinc/02/13/23/788021323.db2.gz WNXHEWLZSRATCD-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210531 788021332 /nfs/dbraw/zinc/02/13/32/788021332.db2.gz WNXHEWLZSRATCD-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210531 788021341 /nfs/dbraw/zinc/02/13/41/788021341.db2.gz WNXHEWLZSRATCD-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132424280 788063883 /nfs/dbraw/zinc/06/38/83/788063883.db2.gz DQMJEENEEDXUKZ-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549727 788127665 /nfs/dbraw/zinc/12/76/65/788127665.db2.gz YSFPTPHHQQAVJR-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132978175 788246502 /nfs/dbraw/zinc/24/65/02/788246502.db2.gz RKRJGTNAJQTKGS-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976100 788304867 /nfs/dbraw/zinc/30/48/67/788304867.db2.gz TWIUPCIQUURIAB-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133222343 788321308 /nfs/dbraw/zinc/32/13/08/788321308.db2.gz ODSFYGHLTSAZQI-ZFWWWQNUSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262110 788338438 /nfs/dbraw/zinc/33/84/38/788338438.db2.gz GRDSAGVPRDLLJT-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314585 788365975 /nfs/dbraw/zinc/36/59/75/788365975.db2.gz OSWFTKYJNHBZAW-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626429 789422013 /nfs/dbraw/zinc/42/20/13/789422013.db2.gz SZWLLOFRHDTFHH-CVEARBPZSA-N 2 1 318.465 2.293 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689834 789867472 /nfs/dbraw/zinc/86/74/72/789867472.db2.gz QIIFLEJOOLZYCE-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071689834 789867476 /nfs/dbraw/zinc/86/74/76/789867476.db2.gz QIIFLEJOOLZYCE-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820596 789928741 /nfs/dbraw/zinc/92/87/41/789928741.db2.gz AJFKACFUPXSGQB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820596 789928747 /nfs/dbraw/zinc/92/87/47/789928747.db2.gz AJFKACFUPXSGQB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071820596 789928752 /nfs/dbraw/zinc/92/87/52/789928752.db2.gz AJFKACFUPXSGQB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871193 789951222 /nfs/dbraw/zinc/95/12/22/789951222.db2.gz GNHFXKDQULXWCX-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919349 789972074 /nfs/dbraw/zinc/97/20/74/789972074.db2.gz AINUJZNXBJTWFM-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071954073 789985280 /nfs/dbraw/zinc/98/52/80/789985280.db2.gz JJOYCMGLUCNBDQ-SJLPKXTDSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999240 790005115 /nfs/dbraw/zinc/00/51/15/790005115.db2.gz NUEMDLSLLMKGIE-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071999240 790005119 /nfs/dbraw/zinc/00/51/19/790005119.db2.gz NUEMDLSLLMKGIE-GJZGRUSLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000163 790006395 /nfs/dbraw/zinc/00/63/95/790006395.db2.gz VGSBJQRWRXAKFT-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000163 790006399 /nfs/dbraw/zinc/00/63/99/790006399.db2.gz VGSBJQRWRXAKFT-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP N#CC1(c2ccccc2)CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000126143721 791194087 /nfs/dbraw/zinc/19/40/87/791194087.db2.gz KJYYBJQCDGDNCP-UHFFFAOYSA-N 2 1 313.445 2.047 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147450062 791549700 /nfs/dbraw/zinc/54/97/00/791549700.db2.gz XHPRMLMBAMAPFG-HNNXBMFYSA-N 2 1 309.841 2.138 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171307594 791559231 /nfs/dbraw/zinc/55/92/31/791559231.db2.gz IZLLMFRLZGKZDN-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CCC1 ZINC001171307594 791559237 /nfs/dbraw/zinc/55/92/37/791559237.db2.gz IZLLMFRLZGKZDN-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147835845 791634824 /nfs/dbraw/zinc/63/48/24/791634824.db2.gz NKZYJSLETQQWQN-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147835845 791634827 /nfs/dbraw/zinc/63/48/27/791634827.db2.gz NKZYJSLETQQWQN-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835845 791634831 /nfs/dbraw/zinc/63/48/31/791634831.db2.gz NKZYJSLETQQWQN-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835845 791634835 /nfs/dbraw/zinc/63/48/35/791634835.db2.gz NKZYJSLETQQWQN-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941774 791856678 /nfs/dbraw/zinc/85/66/78/791856678.db2.gz BGESGKNTWOHDEK-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809674 791886254 /nfs/dbraw/zinc/88/62/54/791886254.db2.gz PGOJXHGLIKZBOK-LMMKCTJWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809674 791886258 /nfs/dbraw/zinc/88/62/58/791886258.db2.gz PGOJXHGLIKZBOK-LMMKCTJWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809674 791886260 /nfs/dbraw/zinc/88/62/60/791886260.db2.gz PGOJXHGLIKZBOK-LMMKCTJWSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928353 /nfs/dbraw/zinc/92/83/53/791928353.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928357 /nfs/dbraw/zinc/92/83/57/791928357.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071452 791928361 /nfs/dbraw/zinc/92/83/61/791928361.db2.gz WKWJMNXTBSPYRX-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099115351 792102434 /nfs/dbraw/zinc/10/24/34/792102434.db2.gz GXNKWPQSXHIYRP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115351 792102437 /nfs/dbraw/zinc/10/24/37/792102437.db2.gz GXNKWPQSXHIYRP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099115351 792102442 /nfs/dbraw/zinc/10/24/42/792102442.db2.gz GXNKWPQSXHIYRP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496782 792940718 /nfs/dbraw/zinc/94/07/18/792940718.db2.gz HUFHAQHJHRPQJA-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496782 792940723 /nfs/dbraw/zinc/94/07/23/792940723.db2.gz HUFHAQHJHRPQJA-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496782 792940730 /nfs/dbraw/zinc/94/07/30/792940730.db2.gz HUFHAQHJHRPQJA-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161947 793044153 /nfs/dbraw/zinc/04/41/53/793044153.db2.gz ZOUUNJAVCXSEQQ-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539373 793113531 /nfs/dbraw/zinc/11/35/31/793113531.db2.gz TZRUBCGLUANCKT-HUUCEWRRSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362979 793133935 /nfs/dbraw/zinc/13/39/35/793133935.db2.gz LUCMVSXRIPZWBG-RYRKJORJSA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591212 793253782 /nfs/dbraw/zinc/25/37/82/793253782.db2.gz MATXBMUMTWKIET-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594702 793258349 /nfs/dbraw/zinc/25/83/49/793258349.db2.gz LGPWHTLUADSBFW-MRXNPFEDSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102104051 793505506 /nfs/dbraw/zinc/50/55/06/793505506.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104051 793505510 /nfs/dbraw/zinc/50/55/10/793505510.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104051 793505515 /nfs/dbraw/zinc/50/55/15/793505515.db2.gz CLHKBEKITBNLKG-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330293 793577701 /nfs/dbraw/zinc/57/77/01/793577701.db2.gz NJRMCGHVTCYPKX-BRWVUGGUSA-N 2 1 309.498 2.223 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419849 793610005 /nfs/dbraw/zinc/61/00/05/793610005.db2.gz XHRVXBFIUOOFDJ-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419849 793610012 /nfs/dbraw/zinc/61/00/12/793610012.db2.gz XHRVXBFIUOOFDJ-HZPDHXFCSA-N 2 1 318.465 2.267 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882991 794082816 /nfs/dbraw/zinc/08/28/16/794082816.db2.gz ZYRSNVOTIOIRMJ-ROUUACIJSA-N 2 1 321.509 2.396 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256301 794170326 /nfs/dbraw/zinc/17/03/26/794170326.db2.gz KYQJWNBCHNEOJE-GJZGRUSLSA-N 2 1 315.889 2.488 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760107 794498810 /nfs/dbraw/zinc/49/88/10/794498810.db2.gz QAXPKXOPVGGYEG-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111925702 794528131 /nfs/dbraw/zinc/52/81/31/794528131.db2.gz GPUHRARWUMREFK-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925702 794528133 /nfs/dbraw/zinc/52/81/33/794528133.db2.gz GPUHRARWUMREFK-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925702 794528134 /nfs/dbraw/zinc/52/81/34/794528134.db2.gz GPUHRARWUMREFK-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952633 794533584 /nfs/dbraw/zinc/53/35/84/794533584.db2.gz RSKYCNGRYYUBFS-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359674 794612777 /nfs/dbraw/zinc/61/27/77/794612777.db2.gz DRBPVVBITWZWGQ-NTDBWNAOSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177353272 794652881 /nfs/dbraw/zinc/65/28/81/794652881.db2.gz WRHLXWDEYOYUAI-UHFFFAOYSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579369 794828691 /nfs/dbraw/zinc/82/86/91/794828691.db2.gz KPLQDBWMACCFBB-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178527982 794940905 /nfs/dbraw/zinc/94/09/05/794940905.db2.gz RWGMKNDJJRWZJJ-MRXNPFEDSA-N 2 1 318.465 2.296 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688048 794975622 /nfs/dbraw/zinc/97/56/22/794975622.db2.gz DZWRJQMKRDYIKQ-GOSISDBHSA-N 2 1 321.509 2.254 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178693600 794977643 /nfs/dbraw/zinc/97/76/43/794977643.db2.gz XHIPCXIJRBCSPK-HNNXBMFYSA-N 2 1 304.438 2.213 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421865 795456104 /nfs/dbraw/zinc/45/61/04/795456104.db2.gz FPDZZZIGEWWYQP-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001121988080 795713216 /nfs/dbraw/zinc/71/32/16/795713216.db2.gz HQBMPYGTHVGZTK-KRWDZBQOSA-N 2 1 303.450 2.438 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184575107 796086520 /nfs/dbraw/zinc/08/65/20/796086520.db2.gz BJSMCHMJPMJVEO-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810125 796130343 /nfs/dbraw/zinc/13/03/43/796130343.db2.gz KUBWYLAQNLEZJY-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184811054 796131661 /nfs/dbraw/zinc/13/16/61/796131661.db2.gz UPWUYLLXSLYHOB-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185445148 796258557 /nfs/dbraw/zinc/25/85/57/796258557.db2.gz FCDRTALXIGBFRQ-HIFRSBDPSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185693286 796306192 /nfs/dbraw/zinc/30/61/92/796306192.db2.gz YYEFRJWXBLQQCR-DOMZBBRYSA-N 2 1 324.856 2.018 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202931526 796370902 /nfs/dbraw/zinc/37/09/02/796370902.db2.gz FSPITCJGEVDOQD-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044497 796535436 /nfs/dbraw/zinc/53/54/36/796535436.db2.gz KOMVNPJTTGNXSQ-JKSUJKDBSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382682 796815593 /nfs/dbraw/zinc/81/55/93/796815593.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382682 796815597 /nfs/dbraw/zinc/81/55/97/796815597.db2.gz PENSWOXNIXVXPS-HLLBOEOZSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083918 796934555 /nfs/dbraw/zinc/93/45/55/796934555.db2.gz HKFHCDOVZWZCEE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083918 796934558 /nfs/dbraw/zinc/93/45/58/796934558.db2.gz HKFHCDOVZWZCEE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083918 796934561 /nfs/dbraw/zinc/93/45/61/796934561.db2.gz HKFHCDOVZWZCEE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212583 796964368 /nfs/dbraw/zinc/96/43/68/796964368.db2.gz GCMAELHWYWSFAT-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191967896 797301500 /nfs/dbraw/zinc/30/15/00/797301500.db2.gz NGFAQFMKPWKHMP-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967896 797301507 /nfs/dbraw/zinc/30/15/07/797301507.db2.gz NGFAQFMKPWKHMP-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191967896 797301516 /nfs/dbraw/zinc/30/15/16/797301516.db2.gz NGFAQFMKPWKHMP-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192134230 797325760 /nfs/dbraw/zinc/32/57/60/797325760.db2.gz HVKMOFCJYCPVPB-RDJZCZTQSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819315 797403673 /nfs/dbraw/zinc/40/36/73/797403673.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819315 797403676 /nfs/dbraw/zinc/40/36/76/797403676.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819315 797403681 /nfs/dbraw/zinc/40/36/81/797403681.db2.gz WJRHMGBPTVODLH-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001154083178 797457706 /nfs/dbraw/zinc/45/77/06/797457706.db2.gz LDSAHLXJTYDSOK-CVEARBPZSA-N 2 1 318.465 2.238 20 30 DEEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011593 797662290 /nfs/dbraw/zinc/66/22/90/797662290.db2.gz VGQFSGCZTFULQP-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011593 797662293 /nfs/dbraw/zinc/66/22/93/797662293.db2.gz VGQFSGCZTFULQP-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011593 797662295 /nfs/dbraw/zinc/66/22/95/797662295.db2.gz VGQFSGCZTFULQP-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883944 797874282 /nfs/dbraw/zinc/87/42/82/797874282.db2.gz RSXIRTSFFYQKPW-SJORKVTESA-N 2 1 309.498 2.203 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883929 797874341 /nfs/dbraw/zinc/87/43/41/797874341.db2.gz RBSSRZXLWQLWGW-IAGOWNOFSA-N 2 1 309.498 2.203 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953680 798131096 /nfs/dbraw/zinc/13/10/96/798131096.db2.gz VBKYAGBWHOZSJI-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP N#Cc1c(Cl)c2ccccc2nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157099054 798143746 /nfs/dbraw/zinc/14/37/46/798143746.db2.gz IIIMDZXVSNXXCM-UHFFFAOYSA-N 2 1 316.796 2.435 20 30 DEEDMP C#CCC[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477939 798193413 /nfs/dbraw/zinc/19/34/13/798193413.db2.gz PWSBGUKPFPJFMK-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C#CCC[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477939 798193415 /nfs/dbraw/zinc/19/34/15/798193415.db2.gz PWSBGUKPFPJFMK-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477939 798193417 /nfs/dbraw/zinc/19/34/17/798193417.db2.gz PWSBGUKPFPJFMK-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453312 798196082 /nfs/dbraw/zinc/19/60/82/798196082.db2.gz FDYFSTACXCMMBP-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197453312 798196083 /nfs/dbraw/zinc/19/60/83/798196083.db2.gz FDYFSTACXCMMBP-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787642 798538980 /nfs/dbraw/zinc/53/89/80/798538980.db2.gz CBPOSYLRSXAELK-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161754874 798929891 /nfs/dbraw/zinc/92/98/91/798929891.db2.gz FOVNZISPAVDIDL-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161754874 798929899 /nfs/dbraw/zinc/92/98/99/798929899.db2.gz FOVNZISPAVDIDL-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161754874 798929906 /nfs/dbraw/zinc/92/99/06/798929906.db2.gz FOVNZISPAVDIDL-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161754874 798929913 /nfs/dbraw/zinc/92/99/13/798929913.db2.gz FOVNZISPAVDIDL-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161952298 798977573 /nfs/dbraw/zinc/97/75/73/798977573.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161952298 798977578 /nfs/dbraw/zinc/97/75/78/798977578.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161952298 798977581 /nfs/dbraw/zinc/97/75/81/798977581.db2.gz FXBQMPYXSMGDIO-UHFFFAOYSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165456102 799733919 /nfs/dbraw/zinc/73/39/19/799733919.db2.gz RCZZPEAKPGXEHU-INIZCTEOSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166189856 799839368 /nfs/dbraw/zinc/83/93/68/799839368.db2.gz PNYAROZNGLEHEF-UHFFFAOYSA-N 2 1 304.438 2.034 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793580 799951857 /nfs/dbraw/zinc/95/18/57/799951857.db2.gz VHKBCZHSTZFWSE-KRWDZBQOSA-N 2 1 319.493 2.008 20 30 DEEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508298 800064072 /nfs/dbraw/zinc/06/40/72/800064072.db2.gz XKZDKLCXSHCYJT-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203578227 800084479 /nfs/dbraw/zinc/08/44/79/800084479.db2.gz VSBGYCBLABGBDI-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526086 800369622 /nfs/dbraw/zinc/36/96/22/800369622.db2.gz CRSAHAJHBQIJBS-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549242 800552266 /nfs/dbraw/zinc/55/22/66/800552266.db2.gz XCADTMHFCZWPRF-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]2CC ZINC001207435597 800751190 /nfs/dbraw/zinc/75/11/90/800751190.db2.gz RADJSPPTDFSVMO-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208352569 800962323 /nfs/dbraw/zinc/96/23/23/800962323.db2.gz IPYFBYGNJZVDBI-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001208352569 800962327 /nfs/dbraw/zinc/96/23/27/800962327.db2.gz IPYFBYGNJZVDBI-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208572087 801016279 /nfs/dbraw/zinc/01/62/79/801016279.db2.gz JTJONEJKSRQFKZ-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209931873 801308719 /nfs/dbraw/zinc/30/87/19/801308719.db2.gz NGDLHVPHOKLJID-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230035969 801353084 /nfs/dbraw/zinc/35/30/84/801353084.db2.gz ZCKOVZVCHXHZQE-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP N#Cc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1F ZINC001210265384 801363916 /nfs/dbraw/zinc/36/39/16/801363916.db2.gz CJUMTXFDVJLKEM-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210336255 801378245 /nfs/dbraw/zinc/37/82/45/801378245.db2.gz DNOVCDUCIMDRQX-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210336255 801378252 /nfs/dbraw/zinc/37/82/52/801378252.db2.gz DNOVCDUCIMDRQX-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211063983 801507414 /nfs/dbraw/zinc/50/74/14/801507414.db2.gz FVMASDHQVBTDRR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCOc1cccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1 ZINC001231625530 801698358 /nfs/dbraw/zinc/69/83/58/801698358.db2.gz RTZSAFMCBBXCOY-UHFFFAOYSA-N 2 1 317.477 2.321 20 30 DEEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@@H]2C1 ZINC001231821963 801733747 /nfs/dbraw/zinc/73/37/47/801733747.db2.gz PUUVGMDVGGWXRW-HDICACEKSA-N 2 1 312.461 2.420 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611185 801739305 /nfs/dbraw/zinc/73/93/05/801739305.db2.gz SGTHUQJHTGGYHQ-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020089 801792293 /nfs/dbraw/zinc/79/22/93/801792293.db2.gz NIWQNMGNYFCNDH-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP CN(C)c1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(F)c1C#N ZINC001222548605 802705165 /nfs/dbraw/zinc/70/51/65/802705165.db2.gz UKWGLRSCFBCNCQ-UHFFFAOYSA-N 2 1 308.376 2.026 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223387284 802786191 /nfs/dbraw/zinc/78/61/91/802786191.db2.gz DFHOCAQKNSDWOK-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226615584 803131585 /nfs/dbraw/zinc/13/15/85/803131585.db2.gz YRAXLELEFKXUGS-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227308472 803229906 /nfs/dbraw/zinc/22/99/06/803229906.db2.gz WYSUFGCZVODBPO-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331075615 1149375346 /nfs/dbraw/zinc/37/53/46/1149375346.db2.gz ZEZUXJLLLFWUFA-HNNXBMFYSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331075615 1149375351 /nfs/dbraw/zinc/37/53/51/1149375351.db2.gz ZEZUXJLLLFWUFA-HNNXBMFYSA-N 2 1 318.465 2.469 20 30 DEEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCCCC)CC1 ZINC001500057612 1058457162 /nfs/dbraw/zinc/45/71/62/1058457162.db2.gz LIVXPWZQOVCJJJ-UHFFFAOYSA-N 2 1 321.509 2.443 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462546069 1058846239 /nfs/dbraw/zinc/84/62/39/1058846239.db2.gz KEMOVUGEBPPUCW-WDSOQIARSA-N 2 1 300.446 2.261 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001501222930 1059389368 /nfs/dbraw/zinc/38/93/68/1059389368.db2.gz AAWKQRWHJJJQKJ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001501222930 1059389393 /nfs/dbraw/zinc/38/93/93/1059389393.db2.gz AAWKQRWHJJJQKJ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001501222930 1059389416 /nfs/dbraw/zinc/38/94/16/1059389416.db2.gz AAWKQRWHJJJQKJ-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001501712363 1059658693 /nfs/dbraw/zinc/65/86/93/1059658693.db2.gz NWCYXEFPCNHRGU-JYJNAYRXSA-N 2 1 318.465 2.429 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC=C)CC1 ZINC001502126408 1059963606 /nfs/dbraw/zinc/96/36/06/1059963606.db2.gz XSOAVTQENGDMMD-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC=C)CC1 ZINC001502126408 1059963618 /nfs/dbraw/zinc/96/36/18/1059963618.db2.gz XSOAVTQENGDMMD-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC=C)CC1 ZINC001502126408 1059963640 /nfs/dbraw/zinc/96/36/40/1059963640.db2.gz XSOAVTQENGDMMD-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC=C)CC1 ZINC001502126408 1059963669 /nfs/dbraw/zinc/96/36/69/1059963669.db2.gz XSOAVTQENGDMMD-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001502245935 1060046983 /nfs/dbraw/zinc/04/69/83/1060046983.db2.gz KDHIHHNJXMGFKF-OAHLLOKOSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001502245935 1060046999 /nfs/dbraw/zinc/04/69/99/1060046999.db2.gz KDHIHHNJXMGFKF-OAHLLOKOSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001502245935 1060047013 /nfs/dbraw/zinc/04/70/13/1060047013.db2.gz KDHIHHNJXMGFKF-OAHLLOKOSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001502245935 1060047030 /nfs/dbraw/zinc/04/70/30/1060047030.db2.gz KDHIHHNJXMGFKF-OAHLLOKOSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001502810178 1060314595 /nfs/dbraw/zinc/31/45/95/1060314595.db2.gz YZIIYFMRIMAZEZ-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503691615 1060459743 /nfs/dbraw/zinc/45/97/43/1060459743.db2.gz NNFWLXMAEHIPNU-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001503691615 1060459750 /nfs/dbraw/zinc/45/97/50/1060459750.db2.gz NNFWLXMAEHIPNU-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001503691615 1060459752 /nfs/dbraw/zinc/45/97/52/1060459752.db2.gz NNFWLXMAEHIPNU-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001503691615 1060459763 /nfs/dbraw/zinc/45/97/63/1060459763.db2.gz NNFWLXMAEHIPNU-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001479673027 1061584854 /nfs/dbraw/zinc/58/48/54/1061584854.db2.gz TXWUZLSZKBGMTB-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479830873 1061860065 /nfs/dbraw/zinc/86/00/65/1061860065.db2.gz RJNJUMHMVFCUOA-IAGOWNOFSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480070811 1062272463 /nfs/dbraw/zinc/27/24/63/1062272463.db2.gz AMXFHMGJKUIPCY-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480070811 1062272476 /nfs/dbraw/zinc/27/24/76/1062272476.db2.gz AMXFHMGJKUIPCY-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480070811 1062272497 /nfs/dbraw/zinc/27/24/97/1062272497.db2.gz AMXFHMGJKUIPCY-GJZGRUSLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190210 1062443620 /nfs/dbraw/zinc/44/36/20/1062443620.db2.gz YIAKRDJHJSTTOD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190210 1062443626 /nfs/dbraw/zinc/44/36/26/1062443626.db2.gz YIAKRDJHJSTTOD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190210 1062443637 /nfs/dbraw/zinc/44/36/37/1062443637.db2.gz YIAKRDJHJSTTOD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001506866714 1062451736 /nfs/dbraw/zinc/45/17/36/1062451736.db2.gz WAVNYKZIVRFVPS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001506888237 1062474318 /nfs/dbraw/zinc/47/43/18/1062474318.db2.gz XGTSRXKSQXJZRI-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001507084538 1062801229 /nfs/dbraw/zinc/80/12/29/1062801229.db2.gz HFQWLJADPOVRPI-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507347213 1063132938 /nfs/dbraw/zinc/13/29/38/1063132938.db2.gz HEVMDAJAVHKICH-MAUKXSAKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001507355850 1063147306 /nfs/dbraw/zinc/14/73/06/1063147306.db2.gz NIAJVWSRAAYNFS-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001507355850 1063147322 /nfs/dbraw/zinc/14/73/22/1063147322.db2.gz NIAJVWSRAAYNFS-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001507355850 1063147333 /nfs/dbraw/zinc/14/73/33/1063147333.db2.gz NIAJVWSRAAYNFS-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480732244 1063265776 /nfs/dbraw/zinc/26/57/76/1063265776.db2.gz BOFWIWQUOZOMMP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480732244 1063265782 /nfs/dbraw/zinc/26/57/82/1063265782.db2.gz BOFWIWQUOZOMMP-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001480823476 1063401482 /nfs/dbraw/zinc/40/14/82/1063401482.db2.gz JRKZTKQLDNGJGX-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480823476 1063401489 /nfs/dbraw/zinc/40/14/89/1063401489.db2.gz JRKZTKQLDNGJGX-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480823476 1063401494 /nfs/dbraw/zinc/40/14/94/1063401494.db2.gz JRKZTKQLDNGJGX-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001507969310 1063484481 /nfs/dbraw/zinc/48/44/81/1063484481.db2.gz GIZQGDFPWMNOHV-DLBZAZTESA-N 2 1 321.509 2.251 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)(C)C ZINC001508020128 1063499947 /nfs/dbraw/zinc/49/99/47/1063499947.db2.gz FNSZEDUTLBRYER-IAGOWNOFSA-N 2 1 321.509 2.393 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001493243469 1063664260 /nfs/dbraw/zinc/66/42/60/1063664260.db2.gz GADJJWPDQQIHFO-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969364 1064050922 /nfs/dbraw/zinc/05/09/22/1064050922.db2.gz ZPXLKGNUWBLAIR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493969364 1064050925 /nfs/dbraw/zinc/05/09/25/1064050925.db2.gz ZPXLKGNUWBLAIR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493969364 1064050933 /nfs/dbraw/zinc/05/09/33/1064050933.db2.gz ZPXLKGNUWBLAIR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001494044228 1064099432 /nfs/dbraw/zinc/09/94/32/1064099432.db2.gz WTIALGQSGNLQKZ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494044228 1064099446 /nfs/dbraw/zinc/09/94/46/1064099446.db2.gz WTIALGQSGNLQKZ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001494044228 1064099454 /nfs/dbraw/zinc/09/94/54/1064099454.db2.gz WTIALGQSGNLQKZ-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001494044224 1064099693 /nfs/dbraw/zinc/09/96/93/1064099693.db2.gz WTIALGQSGNLQKZ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494044224 1064099703 /nfs/dbraw/zinc/09/97/03/1064099703.db2.gz WTIALGQSGNLQKZ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494044224 1064099709 /nfs/dbraw/zinc/09/97/09/1064099709.db2.gz WTIALGQSGNLQKZ-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494077937 1064114586 /nfs/dbraw/zinc/11/45/86/1064114586.db2.gz DFRCFQWMWNDNMT-GOSISDBHSA-N 2 1 319.493 2.104 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494134038 1064133786 /nfs/dbraw/zinc/13/37/86/1064133786.db2.gz CXZUYXFYSHPMCF-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494134038 1064133796 /nfs/dbraw/zinc/13/37/96/1064133796.db2.gz CXZUYXFYSHPMCF-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001494134038 1064133801 /nfs/dbraw/zinc/13/38/01/1064133801.db2.gz CXZUYXFYSHPMCF-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138546 1064135820 /nfs/dbraw/zinc/13/58/20/1064135820.db2.gz WGWPJAUEAAZLEU-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178399 1064159996 /nfs/dbraw/zinc/15/99/96/1064159996.db2.gz IYFVQPOYDXJICZ-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001567634824 1064294782 /nfs/dbraw/zinc/29/47/82/1064294782.db2.gz RNKFTTHFVYUOFZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567738652 1064391913 /nfs/dbraw/zinc/39/19/13/1064391913.db2.gz RFSVFNCHYTTZFC-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752388 1064403058 /nfs/dbraw/zinc/40/30/58/1064403058.db2.gz QOKJXBJCJHALFS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567752388 1064403069 /nfs/dbraw/zinc/40/30/69/1064403069.db2.gz QOKJXBJCJHALFS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567752388 1064403078 /nfs/dbraw/zinc/40/30/78/1064403078.db2.gz QOKJXBJCJHALFS-SJLPKXTDSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001567973637 1064573374 /nfs/dbraw/zinc/57/33/74/1064573374.db2.gz JYGVXXBIULDNQF-HZPDHXFCSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001568320235 1064775879 /nfs/dbraw/zinc/77/58/79/1064775879.db2.gz CUTFROOBLIWQLJ-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001495437943 1064904892 /nfs/dbraw/zinc/90/48/92/1064904892.db2.gz OPHHFAAKDVORPD-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001568485405 1064906519 /nfs/dbraw/zinc/90/65/19/1064906519.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001568485405 1064906537 /nfs/dbraw/zinc/90/65/37/1064906537.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001568485405 1064906551 /nfs/dbraw/zinc/90/65/51/1064906551.db2.gz VDKRKGSXNPVUHS-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC/C=C\CC)CC1 ZINC001568506977 1064920014 /nfs/dbraw/zinc/92/00/14/1064920014.db2.gz YUGYQBFDQUENKS-FPLPWBNLSA-N 2 1 319.493 2.078 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928735 /nfs/dbraw/zinc/92/87/35/1064928735.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928750 /nfs/dbraw/zinc/92/87/50/1064928750.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001568514914 1064928762 /nfs/dbraw/zinc/92/87/62/1064928762.db2.gz DNAMSTKLWUAAMU-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001569209789 1065367653 /nfs/dbraw/zinc/36/76/53/1065367653.db2.gz JWRVGYGUNVXYFA-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001496425150 1065463179 /nfs/dbraw/zinc/46/31/79/1065463179.db2.gz CILFNLKXLOFQIS-HNNXBMFYSA-N 2 1 315.889 2.440 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001569603806 1065616860 /nfs/dbraw/zinc/61/68/60/1065616860.db2.gz FYRWKBWSDFAWGW-RCCFBDPRSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569668935 1065660281 /nfs/dbraw/zinc/66/02/81/1065660281.db2.gz DFOFDUFOVLBAAH-WMZOPIPTSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001569695881 1065677025 /nfs/dbraw/zinc/67/70/25/1065677025.db2.gz UHOOKNMTMLPJEJ-PKOBYXMFSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001570005142 1065875165 /nfs/dbraw/zinc/87/51/65/1065875165.db2.gz MEGHQKLCNUFAQP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CC ZINC001570522230 1066104380 /nfs/dbraw/zinc/10/43/80/1066104380.db2.gz SXIIXKAFRQXQGI-IEBWSBKVSA-N 2 1 315.461 2.276 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001327309154 1148521091 /nfs/dbraw/zinc/52/10/91/1148521091.db2.gz UJFMJVWMICSRDM-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381369 1066668758 /nfs/dbraw/zinc/66/87/58/1066668758.db2.gz PEKHLCFKSNBVPE-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381369 1066668762 /nfs/dbraw/zinc/66/87/62/1066668762.db2.gz PEKHLCFKSNBVPE-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC001576809230 1066694966 /nfs/dbraw/zinc/69/49/66/1066694966.db2.gz QOGGAFSNTQJCFT-PBHICJAKSA-N 2 1 323.444 2.375 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H](C)C1 ZINC001499834826 1067353506 /nfs/dbraw/zinc/35/35/06/1067353506.db2.gz KFDXUAXYTNYZHU-GJZGRUSLSA-N 2 1 304.438 2.278 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267073171 1078547826 /nfs/dbraw/zinc/54/78/26/1078547826.db2.gz PATQBDLDGCYERQ-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267073171 1078547829 /nfs/dbraw/zinc/54/78/29/1078547829.db2.gz PATQBDLDGCYERQ-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267114903 1078592416 /nfs/dbraw/zinc/59/24/16/1078592416.db2.gz MXTNTSCGXOEQHT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267114903 1078592421 /nfs/dbraw/zinc/59/24/21/1078592421.db2.gz MXTNTSCGXOEQHT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267114902 1078592501 /nfs/dbraw/zinc/59/25/01/1078592501.db2.gz MXTNTSCGXOEQHT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267114902 1078592505 /nfs/dbraw/zinc/59/25/05/1078592505.db2.gz MXTNTSCGXOEQHT-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267182129 1078646214 /nfs/dbraw/zinc/64/62/14/1078646214.db2.gz VEOPRXAHCSALPA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267182129 1078646220 /nfs/dbraw/zinc/64/62/20/1078646220.db2.gz VEOPRXAHCSALPA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267182129 1078646230 /nfs/dbraw/zinc/64/62/30/1078646230.db2.gz VEOPRXAHCSALPA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736015 1068102821 /nfs/dbraw/zinc/10/28/21/1068102821.db2.gz OXQFABPLAXAQHQ-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736015 1068102827 /nfs/dbraw/zinc/10/28/27/1068102827.db2.gz OXQFABPLAXAQHQ-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001570826946 1068130438 /nfs/dbraw/zinc/13/04/38/1068130438.db2.gz HJZHUNGJDKOCPY-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001571017121 1068173609 /nfs/dbraw/zinc/17/36/09/1068173609.db2.gz YFBCZWYXGPRILU-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001571017121 1068173616 /nfs/dbraw/zinc/17/36/16/1068173616.db2.gz YFBCZWYXGPRILU-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001571017121 1068173621 /nfs/dbraw/zinc/17/36/21/1068173621.db2.gz YFBCZWYXGPRILU-GVDBMIGSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001267202968 1078662579 /nfs/dbraw/zinc/66/25/79/1078662579.db2.gz AUKFNDHELOIIFT-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001571334236 1068228041 /nfs/dbraw/zinc/22/80/41/1068228041.db2.gz QWXUBMNLOZQJOH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001571334236 1068228047 /nfs/dbraw/zinc/22/80/47/1068228047.db2.gz QWXUBMNLOZQJOH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001571334236 1068228052 /nfs/dbraw/zinc/22/80/52/1068228052.db2.gz QWXUBMNLOZQJOH-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@H]12 ZINC001571503707 1068364227 /nfs/dbraw/zinc/36/42/27/1068364227.db2.gz UUMCILLNHIJJLV-ZIFCJYIRSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267267890 1078714698 /nfs/dbraw/zinc/71/46/98/1078714698.db2.gz TULGPYXNTGDKDZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267267890 1078714702 /nfs/dbraw/zinc/71/47/02/1078714702.db2.gz TULGPYXNTGDKDZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267267890 1078714705 /nfs/dbraw/zinc/71/47/05/1078714705.db2.gz TULGPYXNTGDKDZ-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001571670635 1068471225 /nfs/dbraw/zinc/47/12/25/1068471225.db2.gz USINKMBTPNQPKS-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001267274050 1078721512 /nfs/dbraw/zinc/72/15/12/1078721512.db2.gz QDFBBOYNINQZGP-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001267274050 1078721518 /nfs/dbraw/zinc/72/15/18/1078721518.db2.gz QDFBBOYNINQZGP-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001267274050 1078721527 /nfs/dbraw/zinc/72/15/27/1078721527.db2.gz QDFBBOYNINQZGP-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357866 1078790863 /nfs/dbraw/zinc/79/08/63/1078790863.db2.gz SQZVSYJVPPYPCO-ROUUACIJSA-N 2 1 315.461 2.492 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267460072 1078867790 /nfs/dbraw/zinc/86/77/90/1078867790.db2.gz RBPMACDQKOAGPB-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267460072 1078867798 /nfs/dbraw/zinc/86/77/98/1078867798.db2.gz RBPMACDQKOAGPB-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267460072 1078867809 /nfs/dbraw/zinc/86/78/09/1078867809.db2.gz RBPMACDQKOAGPB-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001267488302 1078914047 /nfs/dbraw/zinc/91/40/47/1078914047.db2.gz ITGOIVICSQIDSP-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267488306 1078914117 /nfs/dbraw/zinc/91/41/17/1078914117.db2.gz ITGOIVICSQIDSP-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568626 1079003735 /nfs/dbraw/zinc/00/37/35/1079003735.db2.gz WBVPXBDWBUZIKJ-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568626 1079003743 /nfs/dbraw/zinc/00/37/43/1079003743.db2.gz WBVPXBDWBUZIKJ-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCC1 ZINC001649447157 1079123453 /nfs/dbraw/zinc/12/34/53/1079123453.db2.gz GNRFLKXJCIQDFO-SFHVURJKSA-N 2 1 319.493 2.457 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483932846 1079194045 /nfs/dbraw/zinc/19/40/45/1079194045.db2.gz RTPIUCAVFFIJEF-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127658 1079226483 /nfs/dbraw/zinc/22/64/83/1079226483.db2.gz ZNFOGCIYWPVHPE-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)C1CC1 ZINC001481171326 1079288400 /nfs/dbraw/zinc/28/84/00/1079288400.db2.gz YLXPFRGDNWQILK-UHFFFAOYSA-N 2 1 307.463 2.190 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481174575 1079292448 /nfs/dbraw/zinc/29/24/48/1079292448.db2.gz RGAQNJLCSIOGDX-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001481174575 1079292455 /nfs/dbraw/zinc/29/24/55/1079292455.db2.gz RGAQNJLCSIOGDX-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001481174575 1079292460 /nfs/dbraw/zinc/29/24/60/1079292460.db2.gz RGAQNJLCSIOGDX-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001647231105 1074850784 /nfs/dbraw/zinc/85/07/84/1074850784.db2.gz IXIHXIFCIFRAPR-IAGOWNOFSA-N 2 1 314.433 2.349 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001671238106 1074984454 /nfs/dbraw/zinc/98/44/54/1074984454.db2.gz KDVMHADPSXGTFP-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001566743689 1074997641 /nfs/dbraw/zinc/99/76/41/1074997641.db2.gz PPBJJSHZDFZNIY-QZTJIDSGSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001565852558 1075197328 /nfs/dbraw/zinc/19/73/28/1075197328.db2.gz PITNEZDHNCZPQJ-MHORFTMASA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685135 1079373197 /nfs/dbraw/zinc/37/31/97/1079373197.db2.gz YYAYWHFOIFTFBW-IRXDYDNUSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129399 1075233830 /nfs/dbraw/zinc/23/38/30/1075233830.db2.gz FRAYNEKLHSGADI-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129399 1075233831 /nfs/dbraw/zinc/23/38/31/1075233831.db2.gz FRAYNEKLHSGADI-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129399 1075233832 /nfs/dbraw/zinc/23/38/32/1075233832.db2.gz FRAYNEKLHSGADI-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001566563454 1075283444 /nfs/dbraw/zinc/28/34/44/1075283444.db2.gz WQUJWAGMXLKPMF-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001566563454 1075283448 /nfs/dbraw/zinc/28/34/48/1075283448.db2.gz WQUJWAGMXLKPMF-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001566563454 1075283451 /nfs/dbraw/zinc/28/34/51/1075283451.db2.gz WQUJWAGMXLKPMF-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566962883 1075401630 /nfs/dbraw/zinc/40/16/30/1075401630.db2.gz MWKHDHSDMCFDHE-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001567195663 1075460507 /nfs/dbraw/zinc/46/05/07/1075460507.db2.gz BDHNVMHUCZZCEC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567195663 1075460510 /nfs/dbraw/zinc/46/05/10/1075460510.db2.gz BDHNVMHUCZZCEC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001567195663 1075460514 /nfs/dbraw/zinc/46/05/14/1075460514.db2.gz BDHNVMHUCZZCEC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267745922 1079445615 /nfs/dbraw/zinc/44/56/15/1079445615.db2.gz KSVDDVCFKRIVEJ-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267790343 1079496553 /nfs/dbraw/zinc/49/65/53/1079496553.db2.gz MGPPYERITHVLCY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)Cc1cc(C[N@@H+](C)CC=C)cc(-c2nn[nH]n2)c1 ZINC001588626931 1076458156 /nfs/dbraw/zinc/45/81/56/1076458156.db2.gz WCRBYMQQZMKCJF-UHFFFAOYSA-N 2 1 312.421 2.102 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001267843235 1079533011 /nfs/dbraw/zinc/53/30/11/1079533011.db2.gz HDHBPZZIICVFMV-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001484563001 1079662882 /nfs/dbraw/zinc/66/28/82/1079662882.db2.gz IOINFBYQEXXSPL-INIZCTEOSA-N 2 1 315.461 2.317 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001481344051 1079737455 /nfs/dbraw/zinc/73/74/55/1079737455.db2.gz TZIWDLGCZSIMLL-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001484721705 1079757984 /nfs/dbraw/zinc/75/79/84/1079757984.db2.gz LWXCLFPQYDQBOV-HOTGVXAUSA-N 2 1 304.438 2.381 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484917449 1079851938 /nfs/dbraw/zinc/85/19/38/1079851938.db2.gz GZMQAULMAUXJOX-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481465838 1079918070 /nfs/dbraw/zinc/91/80/70/1079918070.db2.gz VSTQUJJHYZXMJT-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485080173 1079971137 /nfs/dbraw/zinc/97/11/37/1079971137.db2.gz RRPLGUWAMUYAGD-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001481518133 1079987241 /nfs/dbraw/zinc/98/72/41/1079987241.db2.gz IEHHZZZJMZRFMM-QGZVFWFLSA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001656321320 1080077742 /nfs/dbraw/zinc/07/77/42/1080077742.db2.gz JEGHTDMHBYJBAD-BHYGNILZSA-N 2 1 318.465 2.421 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC001658778260 1080217888 /nfs/dbraw/zinc/21/78/88/1080217888.db2.gz UUQKHGOPTQDWIG-WDSOQIARSA-N 2 1 312.461 2.466 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001660365205 1080318319 /nfs/dbraw/zinc/31/83/19/1080318319.db2.gz SMAYQXROWMGCPK-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001660365205 1080318331 /nfs/dbraw/zinc/31/83/31/1080318331.db2.gz SMAYQXROWMGCPK-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001660365205 1080318341 /nfs/dbraw/zinc/31/83/41/1080318341.db2.gz SMAYQXROWMGCPK-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001660787453 1080395925 /nfs/dbraw/zinc/39/59/25/1080395925.db2.gz LUJCRGQOTAASJZ-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481729502 1080397860 /nfs/dbraw/zinc/39/78/60/1080397860.db2.gz WDSUEACAXKQUOO-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001485765138 1080421752 /nfs/dbraw/zinc/42/17/52/1080421752.db2.gz NQKKJWBIJDXRRD-UHFFFAOYSA-N 2 1 321.509 2.445 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001485765138 1080421756 /nfs/dbraw/zinc/42/17/56/1080421756.db2.gz NQKKJWBIJDXRRD-UHFFFAOYSA-N 2 1 321.509 2.445 20 30 DEEDMP CC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001485765138 1080421760 /nfs/dbraw/zinc/42/17/60/1080421760.db2.gz NQKKJWBIJDXRRD-UHFFFAOYSA-N 2 1 321.509 2.445 20 30 DEEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001485793639 1080436985 /nfs/dbraw/zinc/43/69/85/1080436985.db2.gz ZSZAGWQDAWPSQK-MSOLQXFVSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001661943472 1080547763 /nfs/dbraw/zinc/54/77/63/1080547763.db2.gz PFBWDNAIEQLOJT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001481992109 1080675076 /nfs/dbraw/zinc/67/50/76/1080675076.db2.gz UYFWQYDEWVIGNB-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001663587591 1080782626 /nfs/dbraw/zinc/78/26/26/1080782626.db2.gz NRUDWTQBCKHGRL-HZPDHXFCSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001663587591 1080782630 /nfs/dbraw/zinc/78/26/30/1080782630.db2.gz NRUDWTQBCKHGRL-HZPDHXFCSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001663663973 1080800142 /nfs/dbraw/zinc/80/01/42/1080800142.db2.gz JJCYGYPVRSUKJH-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001663663973 1080800148 /nfs/dbraw/zinc/80/01/48/1080800148.db2.gz JJCYGYPVRSUKJH-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001663663973 1080800155 /nfs/dbraw/zinc/80/01/55/1080800155.db2.gz JJCYGYPVRSUKJH-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001664457394 1080912657 /nfs/dbraw/zinc/91/26/57/1080912657.db2.gz NLVVUZOPUDKIEW-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C(C)C ZINC001664517063 1080920810 /nfs/dbraw/zinc/92/08/10/1080920810.db2.gz SJRISFDIRKTMJS-GOSISDBHSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001664517063 1080920816 /nfs/dbraw/zinc/92/08/16/1080920816.db2.gz SJRISFDIRKTMJS-GOSISDBHSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC001664517063 1080920820 /nfs/dbraw/zinc/92/08/20/1080920820.db2.gz SJRISFDIRKTMJS-GOSISDBHSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268947459 1081060305 /nfs/dbraw/zinc/06/03/05/1081060305.db2.gz PTWLHFGZFMDYGG-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001268947459 1081060309 /nfs/dbraw/zinc/06/03/09/1081060309.db2.gz PTWLHFGZFMDYGG-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001268947459 1081060315 /nfs/dbraw/zinc/06/03/15/1081060315.db2.gz PTWLHFGZFMDYGG-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269302997 1081204353 /nfs/dbraw/zinc/20/43/53/1081204353.db2.gz XPQSGZZGIMLKTD-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269302997 1081204358 /nfs/dbraw/zinc/20/43/58/1081204358.db2.gz XPQSGZZGIMLKTD-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269302997 1081204363 /nfs/dbraw/zinc/20/43/63/1081204363.db2.gz XPQSGZZGIMLKTD-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269302997 1081204367 /nfs/dbraw/zinc/20/43/67/1081204367.db2.gz XPQSGZZGIMLKTD-SFHVURJKSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001667488571 1081257665 /nfs/dbraw/zinc/25/76/65/1081257665.db2.gz JIUIRXSNBSHVMG-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001667702118 1081276626 /nfs/dbraw/zinc/27/66/26/1081276626.db2.gz UIRXKIFBSKLXIF-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001667702118 1081276629 /nfs/dbraw/zinc/27/66/29/1081276629.db2.gz UIRXKIFBSKLXIF-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269754861 1081357111 /nfs/dbraw/zinc/35/71/11/1081357111.db2.gz HGFMFWVNNLYOGQ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001668863907 1081404408 /nfs/dbraw/zinc/40/44/08/1081404408.db2.gz AJAFKBGRPPONGH-KEGWNNHHSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269985046 1081418094 /nfs/dbraw/zinc/41/80/94/1081418094.db2.gz AFKHLXOVXOLUSI-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001270087978 1081447288 /nfs/dbraw/zinc/44/72/88/1081447288.db2.gz HDBUJYIUJVJKRY-GOSISDBHSA-N 2 1 315.461 2.310 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001270138457 1081458197 /nfs/dbraw/zinc/45/81/97/1081458197.db2.gz SCUAQKYEXGTFKS-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001670118721 1081497270 /nfs/dbraw/zinc/49/72/70/1081497270.db2.gz XDKGZOUPVKZBGG-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCC1 ZINC001671536213 1081522141 /nfs/dbraw/zinc/52/21/41/1081522141.db2.gz MGMGYUFPVUFWJO-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001673470824 1081773806 /nfs/dbraw/zinc/77/38/06/1081773806.db2.gz BLSYOOYGBRXALO-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001673470824 1081773810 /nfs/dbraw/zinc/77/38/10/1081773810.db2.gz BLSYOOYGBRXALO-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001673470824 1081773813 /nfs/dbraw/zinc/77/38/13/1081773813.db2.gz BLSYOOYGBRXALO-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCCC1 ZINC001482414424 1081803148 /nfs/dbraw/zinc/80/31/48/1081803148.db2.gz UNGZGIGISHSQNF-KRWDZBQOSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001111408444 1081820663 /nfs/dbraw/zinc/82/06/63/1081820663.db2.gz YYQAECYQXCILFV-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408444 1081820671 /nfs/dbraw/zinc/82/06/71/1081820671.db2.gz YYQAECYQXCILFV-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408444 1081820677 /nfs/dbraw/zinc/82/06/77/1081820677.db2.gz YYQAECYQXCILFV-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001673986085 1081821282 /nfs/dbraw/zinc/82/12/82/1081821282.db2.gz UTVSJMBBCXTPPG-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP CCNC(NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)=[NH+]CC ZINC000718001547 1081863027 /nfs/dbraw/zinc/86/30/27/1081863027.db2.gz QNGOBENOLQRSLV-QGZVFWFLSA-N 2 1 302.466 2.472 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001674486392 1081880246 /nfs/dbraw/zinc/88/02/46/1081880246.db2.gz JZEMMIQIVOVUJF-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001271103156 1081910032 /nfs/dbraw/zinc/91/00/32/1081910032.db2.gz VUGADQIIKQXUOL-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1ccnc1C ZINC001266244468 1081913093 /nfs/dbraw/zinc/91/30/93/1081913093.db2.gz PYIRWPGVNXYNNO-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001266244468 1081913096 /nfs/dbraw/zinc/91/30/96/1081913096.db2.gz PYIRWPGVNXYNNO-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001266275409 1081933217 /nfs/dbraw/zinc/93/32/17/1081933217.db2.gz YDNBTWXQYBUCSK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266275409 1081933219 /nfs/dbraw/zinc/93/32/19/1081933219.db2.gz YDNBTWXQYBUCSK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266275409 1081933221 /nfs/dbraw/zinc/93/32/21/1081933221.db2.gz YDNBTWXQYBUCSK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482469956 1081943235 /nfs/dbraw/zinc/94/32/35/1081943235.db2.gz FRYYZCVMTIMLNB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482495846 1082120973 /nfs/dbraw/zinc/12/09/73/1082120973.db2.gz SWHLRFKYIVKTST-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001271770040 1082150090 /nfs/dbraw/zinc/15/00/90/1082150090.db2.gz FIOJYASXZWBYJL-QAQDUYKDSA-N 2 1 318.465 2.280 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266562757 1082161100 /nfs/dbraw/zinc/16/11/00/1082161100.db2.gz MVOVEMIEDAKESN-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266562757 1082161103 /nfs/dbraw/zinc/16/11/03/1082161103.db2.gz MVOVEMIEDAKESN-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266562757 1082161108 /nfs/dbraw/zinc/16/11/08/1082161108.db2.gz MVOVEMIEDAKESN-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001480904487 1082471097 /nfs/dbraw/zinc/47/10/97/1082471097.db2.gz HVURHMSSYDXDAT-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480904487 1082471100 /nfs/dbraw/zinc/47/11/00/1082471100.db2.gz HVURHMSSYDXDAT-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001480904487 1082471104 /nfs/dbraw/zinc/47/11/04/1082471104.db2.gz HVURHMSSYDXDAT-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001505950944 1082546734 /nfs/dbraw/zinc/54/67/34/1082546734.db2.gz OHYVVZDSMYBURB-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001505950944 1082546737 /nfs/dbraw/zinc/54/67/37/1082546737.db2.gz OHYVVZDSMYBURB-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001505950944 1082546740 /nfs/dbraw/zinc/54/67/40/1082546740.db2.gz OHYVVZDSMYBURB-OAHLLOKOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001409773499 1083051230 /nfs/dbraw/zinc/05/12/30/1083051230.db2.gz DNCXQMRLRXSLSU-UHFFFAOYSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276885423 1083664380 /nfs/dbraw/zinc/66/43/80/1083664380.db2.gz LGVCGPOUFCQAPC-IEBWSBKVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001670918631 1084141311 /nfs/dbraw/zinc/14/13/11/1084141311.db2.gz KVCRMSXAHBKYEL-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001670918631 1084141328 /nfs/dbraw/zinc/14/13/28/1084141328.db2.gz KVCRMSXAHBKYEL-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001670918631 1084141333 /nfs/dbraw/zinc/14/13/33/1084141333.db2.gz KVCRMSXAHBKYEL-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001670940252 1084159064 /nfs/dbraw/zinc/15/90/64/1084159064.db2.gz RYRQSJXTDQMAFP-ALOPSCKCSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC=C(C)C ZINC001491252439 1084182893 /nfs/dbraw/zinc/18/28/93/1084182893.db2.gz OBUMBYQINZPOIF-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC=C(C)C ZINC001491252439 1084182901 /nfs/dbraw/zinc/18/29/01/1084182901.db2.gz OBUMBYQINZPOIF-ROUUACIJSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001670984534 1084183781 /nfs/dbraw/zinc/18/37/81/1084183781.db2.gz AVCZRNBHZQJFCL-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001670984534 1084183786 /nfs/dbraw/zinc/18/37/86/1084183786.db2.gz AVCZRNBHZQJFCL-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001670984534 1084183789 /nfs/dbraw/zinc/18/37/89/1084183789.db2.gz AVCZRNBHZQJFCL-GOSISDBHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960151900 1085129793 /nfs/dbraw/zinc/12/97/93/1085129793.db2.gz RXXBFZSBDRUDDL-FICVDOATSA-N 2 1 319.474 2.046 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964166463 1085170267 /nfs/dbraw/zinc/17/02/67/1085170267.db2.gz IOKJWBFCJJAXHZ-RFSHTEQGSA-N 2 1 319.493 2.310 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424944 1085603963 /nfs/dbraw/zinc/60/39/63/1085603963.db2.gz PECOMWHWKYBEIY-IOAIVIQVSA-N 2 1 317.477 2.206 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962268016 1086045206 /nfs/dbraw/zinc/04/52/06/1086045206.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962268016 1086045218 /nfs/dbraw/zinc/04/52/18/1086045218.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962268016 1086045229 /nfs/dbraw/zinc/04/52/29/1086045229.db2.gz CKGNTJZNTOTZFE-XDNAFOTISA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273128139 1086290496 /nfs/dbraw/zinc/29/04/96/1086290496.db2.gz OSYUTYHPYNDEGR-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963315771 1086405205 /nfs/dbraw/zinc/40/52/05/1086405205.db2.gz YMKRXIRCSFUKBP-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001273147016 1086998064 /nfs/dbraw/zinc/99/80/64/1086998064.db2.gz VGWJVGMXIQVZBC-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114770548 1088461251 /nfs/dbraw/zinc/46/12/51/1088461251.db2.gz WYIUYANNMFJEQG-PIIMJCKOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702104 1090402887 /nfs/dbraw/zinc/40/28/87/1090402887.db2.gz HEBRPJZIOJHYJN-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033242 1090604721 /nfs/dbraw/zinc/60/47/21/1090604721.db2.gz XGOPXXRODROSHN-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049457 1090617156 /nfs/dbraw/zinc/61/71/56/1090617156.db2.gz BIJBMXATMYDQKN-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276042059 1091472676 /nfs/dbraw/zinc/47/26/76/1091472676.db2.gz VJDUGGRVXIFRRP-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001274959564 1091493399 /nfs/dbraw/zinc/49/33/99/1091493399.db2.gz ZXNBRZROVZGEHX-KSZLIROESA-N 2 1 317.477 2.112 20 30 DEEDMP CCCCCCC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001275127146 1091572701 /nfs/dbraw/zinc/57/27/01/1091572701.db2.gz WEGFKBZBLSKQKB-UHFFFAOYSA-N 2 1 309.498 2.443 20 30 DEEDMP C#Cc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275132619 1091576328 /nfs/dbraw/zinc/57/63/28/1091576328.db2.gz YYESAFRZPWBOGN-UHFFFAOYSA-N 2 1 311.473 2.127 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001275233020 1091625944 /nfs/dbraw/zinc/62/59/44/1091625944.db2.gz KYKWMXNEDBXKSK-NFOMZHRRSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001273554145 1091919677 /nfs/dbraw/zinc/91/96/77/1091919677.db2.gz PBVQYRCIHGQQFQ-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001273554145 1091919684 /nfs/dbraw/zinc/91/96/84/1091919684.db2.gz PBVQYRCIHGQQFQ-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001273554145 1091919694 /nfs/dbraw/zinc/91/96/94/1091919694.db2.gz PBVQYRCIHGQQFQ-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191541878 1091959377 /nfs/dbraw/zinc/95/93/77/1091959377.db2.gz CPMSOOBAOKQKOT-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001488968067 1092855564 /nfs/dbraw/zinc/85/55/64/1092855564.db2.gz LNUFOEZPKDHXEZ-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001489118973 1092929263 /nfs/dbraw/zinc/92/92/63/1092929263.db2.gz UKRMQMKFKABKAZ-OWCLPIDISA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001238104339 1138822621 /nfs/dbraw/zinc/82/26/21/1138822621.db2.gz LLENMMKDIGOUEG-LJQANCHMSA-N 2 1 324.428 2.335 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318567476 1140365360 /nfs/dbraw/zinc/36/53/60/1140365360.db2.gz LNLIQPGGWFXLFR-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001319207678 1140526143 /nfs/dbraw/zinc/52/61/43/1140526143.db2.gz UKDLDOWDPUCMEX-OAHLLOKOSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001319378570 1140559317 /nfs/dbraw/zinc/55/93/17/1140559317.db2.gz DHQQCPMRPYDLBO-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001319592125 1140621287 /nfs/dbraw/zinc/62/12/87/1140621287.db2.gz HGZTWIZBNBYVSO-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001319693333 1140667023 /nfs/dbraw/zinc/66/70/23/1140667023.db2.gz BPQFVBIJBXWIGP-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001321211539 1141086347 /nfs/dbraw/zinc/08/63/47/1141086347.db2.gz ZZPIGMKLDYYHBZ-TUYSUELWSA-N 2 1 305.466 2.232 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324439484 1142077259 /nfs/dbraw/zinc/07/72/59/1142077259.db2.gz JDQNDBFCXGDZEB-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CCCC)C1 ZINC001278664019 1142704527 /nfs/dbraw/zinc/70/45/27/1142704527.db2.gz RRTRIWBSFSEEHI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CCCC)C1 ZINC001278664019 1142704540 /nfs/dbraw/zinc/70/45/40/1142704540.db2.gz RRTRIWBSFSEEHI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC)C1 ZINC001278664019 1142704554 /nfs/dbraw/zinc/70/45/54/1142704554.db2.gz RRTRIWBSFSEEHI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC)C1 ZINC001278664019 1142704569 /nfs/dbraw/zinc/70/45/69/1142704569.db2.gz RRTRIWBSFSEEHI-HKUYNNGSSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252559790 1142765931 /nfs/dbraw/zinc/76/59/31/1142765931.db2.gz LNQGNIBGZRCFMT-LJQANCHMSA-N 2 1 300.446 2.446 20 30 DEEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252559790 1142765934 /nfs/dbraw/zinc/76/59/34/1142765934.db2.gz LNQGNIBGZRCFMT-LJQANCHMSA-N 2 1 300.446 2.446 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252945031 1142832431 /nfs/dbraw/zinc/83/24/31/1142832431.db2.gz WHWWQDCWFWNJKV-NZSAHSFTSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252945031 1142832432 /nfs/dbraw/zinc/83/24/32/1142832432.db2.gz WHWWQDCWFWNJKV-NZSAHSFTSA-N 2 1 313.445 2.295 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582412 1142882634 /nfs/dbraw/zinc/88/26/34/1142882634.db2.gz OMBMKGAORPOONB-KANFNMMFSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582412 1142882636 /nfs/dbraw/zinc/88/26/36/1142882636.db2.gz OMBMKGAORPOONB-KANFNMMFSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582412 1142882637 /nfs/dbraw/zinc/88/26/37/1142882637.db2.gz OMBMKGAORPOONB-KANFNMMFSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001253582412 1142882639 /nfs/dbraw/zinc/88/26/39/1142882639.db2.gz OMBMKGAORPOONB-KANFNMMFSA-N 2 1 315.461 2.161 20 30 DEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662233 1143304040 /nfs/dbraw/zinc/30/40/40/1143304040.db2.gz DFMLVEPFSYSWKM-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662233 1143304049 /nfs/dbraw/zinc/30/40/49/1143304049.db2.gz DFMLVEPFSYSWKM-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662233 1143304059 /nfs/dbraw/zinc/30/40/59/1143304059.db2.gz DFMLVEPFSYSWKM-ZSYWTGECSA-N 2 1 317.477 2.359 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001264435372 1144539000 /nfs/dbraw/zinc/53/90/00/1144539000.db2.gz HICNWHNEFKCCTM-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265114712 1144647683 /nfs/dbraw/zinc/64/76/83/1144647683.db2.gz LTTATLPHUADGCI-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265131283 1144650638 /nfs/dbraw/zinc/65/06/38/1144650638.db2.gz UFAHIFSCGHWTSC-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265131283 1144650640 /nfs/dbraw/zinc/65/06/40/1144650640.db2.gz UFAHIFSCGHWTSC-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001265199737 1144664882 /nfs/dbraw/zinc/66/48/82/1144664882.db2.gz BBDFOWVYHXUNOV-UHFFFAOYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390588 1144701456 /nfs/dbraw/zinc/70/14/56/1144701456.db2.gz ILHMMLDBECXJMN-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265543620 1144710682 /nfs/dbraw/zinc/71/06/82/1144710682.db2.gz OEZVBORFMLMYRY-UXLLHSPISA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265587145 1144715527 /nfs/dbraw/zinc/71/55/27/1144715527.db2.gz WWBRPQQEVMMZIA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265587145 1144715531 /nfs/dbraw/zinc/71/55/31/1144715531.db2.gz WWBRPQQEVMMZIA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001265587145 1144715532 /nfs/dbraw/zinc/71/55/32/1144715532.db2.gz WWBRPQQEVMMZIA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266194874 1144812768 /nfs/dbraw/zinc/81/27/68/1144812768.db2.gz JDICHYZSVQFVLL-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576888 1144825082 /nfs/dbraw/zinc/82/50/82/1144825082.db2.gz QHRDCERTCGBMCU-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576888 1144825083 /nfs/dbraw/zinc/82/50/83/1144825083.db2.gz QHRDCERTCGBMCU-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279694832 1144827263 /nfs/dbraw/zinc/82/72/63/1144827263.db2.gz FIZSFLWEOSLQNT-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316610965 1144889917 /nfs/dbraw/zinc/88/99/17/1144889917.db2.gz NFJKHTRIKLODQA-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316610965 1144889918 /nfs/dbraw/zinc/88/99/18/1144889918.db2.gz NFJKHTRIKLODQA-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281459139 1144891088 /nfs/dbraw/zinc/89/10/88/1144891088.db2.gz XHCDJWFULCGOBK-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001282667257 1145118890 /nfs/dbraw/zinc/11/88/90/1145118890.db2.gz PHOOMLPDRXMQJM-HZPDHXFCSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001282810515 1145168603 /nfs/dbraw/zinc/16/86/03/1145168603.db2.gz JQZFBCXYFAQSFG-LSDHHAIUSA-N 2 1 313.461 2.069 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001283340032 1145368914 /nfs/dbraw/zinc/36/89/14/1145368914.db2.gz FFGLGJQICMSLST-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001283340032 1145368919 /nfs/dbraw/zinc/36/89/19/1145368919.db2.gz FFGLGJQICMSLST-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001283340032 1145368925 /nfs/dbraw/zinc/36/89/25/1145368925.db2.gz FFGLGJQICMSLST-CVEARBPZSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001283509582 1145485972 /nfs/dbraw/zinc/48/59/72/1145485972.db2.gz VLSICXISMROCHO-BFYDXBDKSA-N 2 1 316.449 2.306 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001284720205 1145894968 /nfs/dbraw/zinc/89/49/68/1145894968.db2.gz WLZYZWKUFAGFBJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001284846343 1145936872 /nfs/dbraw/zinc/93/68/72/1145936872.db2.gz OMROPDQFBFSXPD-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284949136 1145989120 /nfs/dbraw/zinc/98/91/20/1145989120.db2.gz QBYRASNLJZDYDQ-INIZCTEOSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001491829148 1146906230 /nfs/dbraw/zinc/90/62/30/1146906230.db2.gz GCCANKWMAGOMHT-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001317064095 1147582569 /nfs/dbraw/zinc/58/25/69/1147582569.db2.gz NVOWFTAQPSOXJB-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316877354 1147619319 /nfs/dbraw/zinc/61/93/19/1147619319.db2.gz JXTRXKBDBPNTID-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001316927388 1147633256 /nfs/dbraw/zinc/63/32/56/1147633256.db2.gz OJCFCANGLYDTIE-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001316978029 1147642123 /nfs/dbraw/zinc/64/21/23/1147642123.db2.gz NMDGLZRGSRMISR-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001316978029 1147642124 /nfs/dbraw/zinc/64/21/24/1147642124.db2.gz NMDGLZRGSRMISR-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316978029 1147642125 /nfs/dbraw/zinc/64/21/25/1147642125.db2.gz NMDGLZRGSRMISR-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001317433965 1147707912 /nfs/dbraw/zinc/70/79/12/1147707912.db2.gz IBPVNFYCUVPJKX-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001317433965 1147707913 /nfs/dbraw/zinc/70/79/13/1147707913.db2.gz IBPVNFYCUVPJKX-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317450872 1147710779 /nfs/dbraw/zinc/71/07/79/1147710779.db2.gz YLCMFHNJRSLOFR-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317450872 1147710781 /nfs/dbraw/zinc/71/07/81/1147710781.db2.gz YLCMFHNJRSLOFR-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001317450872 1147710782 /nfs/dbraw/zinc/71/07/82/1147710782.db2.gz YLCMFHNJRSLOFR-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001317685180 1147743851 /nfs/dbraw/zinc/74/38/51/1147743851.db2.gz FYADOOGLCHEAIP-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317791846 1147752780 /nfs/dbraw/zinc/75/27/80/1147752780.db2.gz DJUSFISFLVVUAS-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827109 1147850445 /nfs/dbraw/zinc/85/04/45/1147850445.db2.gz USKXJIPMCRKTNQ-YJBOKZPZSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001325656006 1147977906 /nfs/dbraw/zinc/97/79/06/1147977906.db2.gz JLLQFRZAXHDICI-QAQDUYKDSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001325661614 1147978951 /nfs/dbraw/zinc/97/89/51/1147978951.db2.gz CCQVPXVHSCEQMY-BRWVUGGUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326603291 1148158919 /nfs/dbraw/zinc/15/89/19/1148158919.db2.gz KEHFCAGTSZTIPL-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001368099014 1148219057 /nfs/dbraw/zinc/21/90/57/1148219057.db2.gz JLWMBIIYWZPOPG-HUUCEWRRSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001368128638 1148258264 /nfs/dbraw/zinc/25/82/64/1148258264.db2.gz SSVRSCHGNGIZRO-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001368128638 1148258280 /nfs/dbraw/zinc/25/82/80/1148258280.db2.gz SSVRSCHGNGIZRO-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP CN1CC[NH+]=C1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262689577 529778822 /nfs/dbraw/zinc/77/88/22/529778822.db2.gz ZUNIKGVHJPPTGF-DOMZBBRYSA-N 2 1 324.831 2.363 20 30 DEEDMP C[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593688908 358123170 /nfs/dbraw/zinc/12/31/70/358123170.db2.gz XQVJKTOEIUYTIP-UHFFFAOYSA-N 2 1 312.461 2.206 20 30 DEEDMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436634 358270249 /nfs/dbraw/zinc/27/02/49/358270249.db2.gz PALBODIEGXIFBF-INIZCTEOSA-N 2 1 308.470 2.121 20 30 DEEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588677 359252347 /nfs/dbraw/zinc/25/23/47/359252347.db2.gz NBVANPMQQYOGDK-HOTGVXAUSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588677 359252352 /nfs/dbraw/zinc/25/23/52/359252352.db2.gz NBVANPMQQYOGDK-HOTGVXAUSA-N 2 1 316.449 2.425 20 30 DEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000281178050 216133230 /nfs/dbraw/zinc/13/32/30/216133230.db2.gz ARCUBVXTKWJTRF-UHFFFAOYSA-N 2 1 314.433 2.305 20 30 DEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000602634977 360469601 /nfs/dbraw/zinc/46/96/01/360469601.db2.gz VIIOUBGFDJPUST-DLBZAZTESA-N 2 1 323.481 2.176 20 30 DEEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000602634977 360469603 /nfs/dbraw/zinc/46/96/03/360469603.db2.gz VIIOUBGFDJPUST-DLBZAZTESA-N 2 1 323.481 2.176 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602699045 360505071 /nfs/dbraw/zinc/50/50/71/360505071.db2.gz PUIVJUANUQECQG-KRWDZBQOSA-N 2 1 306.498 2.418 20 30 DEEDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497287 217041191 /nfs/dbraw/zinc/04/11/91/217041191.db2.gz XWQAODWIYJCCJA-HNNXBMFYSA-N 2 1 300.450 2.235 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@H]2CC)CC1 ZINC000458314583 248257620 /nfs/dbraw/zinc/25/76/20/248257620.db2.gz FAWFCZZWZVBXFB-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP C#CCOc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000113340786 401776970 /nfs/dbraw/zinc/77/69/70/401776970.db2.gz DWTIMCKUZPQSOQ-SFHVURJKSA-N 2 1 316.445 2.025 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000106245500 402212415 /nfs/dbraw/zinc/21/24/15/402212415.db2.gz FQACMSUTDOTYQS-UHFFFAOYSA-N 2 1 311.433 2.397 20 30 DEEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158295582 402303719 /nfs/dbraw/zinc/30/37/19/402303719.db2.gz UAGOOGYDPLMZFH-WFASDCNBSA-N 2 1 323.510 2.235 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158335196 402304383 /nfs/dbraw/zinc/30/43/83/402304383.db2.gz WOCGIDOCMATEPP-SMDDNHRTSA-N 2 1 323.510 2.154 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccn1 ZINC000170912095 402540533 /nfs/dbraw/zinc/54/05/33/402540533.db2.gz GYXKOIZLHOFKEJ-KRWDZBQOSA-N 2 1 323.444 2.373 20 30 DEEDMP C[N@@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000262505058 402726827 /nfs/dbraw/zinc/72/68/27/402726827.db2.gz BDOOHSSLIHVXFJ-INIZCTEOSA-N 2 1 316.449 2.289 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000270651168 403209230 /nfs/dbraw/zinc/20/92/30/403209230.db2.gz OUZOLCYSEXDHOQ-UHFFFAOYSA-N 2 1 310.401 2.133 20 30 DEEDMP C#Cc1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000270651168 403209231 /nfs/dbraw/zinc/20/92/31/403209231.db2.gz OUZOLCYSEXDHOQ-UHFFFAOYSA-N 2 1 310.401 2.133 20 30 DEEDMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000298388104 403371712 /nfs/dbraw/zinc/37/17/12/403371712.db2.gz FDEBWIVKCNSNQO-UHFFFAOYSA-N 2 1 318.465 2.094 20 30 DEEDMP CC#CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285815024 403386592 /nfs/dbraw/zinc/38/65/92/403386592.db2.gz GOHTUDJPLIXFFV-HXUWFJFHSA-N 2 1 311.473 2.292 20 30 DEEDMP CC#CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285815024 403386595 /nfs/dbraw/zinc/38/65/95/403386595.db2.gz GOHTUDJPLIXFFV-HXUWFJFHSA-N 2 1 311.473 2.292 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090398 403757100 /nfs/dbraw/zinc/75/71/00/403757100.db2.gz UVULZCKJHIVWNU-KRWDZBQOSA-N 3 1 317.477 2.233 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000295090398 403757102 /nfs/dbraw/zinc/75/71/02/403757102.db2.gz UVULZCKJHIVWNU-KRWDZBQOSA-N 3 1 317.477 2.233 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290636051 404250638 /nfs/dbraw/zinc/25/06/38/404250638.db2.gz LQUNQQUXMWZSEV-QGZVFWFLSA-N 2 1 300.450 2.379 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH2+]C)CC2)c1C ZINC000420292173 405308710 /nfs/dbraw/zinc/30/87/10/405308710.db2.gz LJDPMWDELYLYDQ-UHFFFAOYSA-N 2 1 303.450 2.405 20 30 DEEDMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423267118 405742425 /nfs/dbraw/zinc/74/24/25/405742425.db2.gz SRJSNXPQBQAEME-QGZVFWFLSA-N 2 1 300.450 2.490 20 30 DEEDMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423267117 405743128 /nfs/dbraw/zinc/74/31/28/405743128.db2.gz SRJSNXPQBQAEME-KRWDZBQOSA-N 2 1 300.450 2.490 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000566107331 406085823 /nfs/dbraw/zinc/08/58/23/406085823.db2.gz IEDIVCVWYYXBLF-KRWDZBQOSA-N 2 1 308.853 2.483 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000516980451 406118357 /nfs/dbraw/zinc/11/83/57/406118357.db2.gz YCTKJAOUJLPVFG-UHFFFAOYSA-N 2 1 304.434 2.188 20 30 DEEDMP C[N@H+](CCOc1cccc(C[NH2+]CCC#N)c1)C1CCOCC1 ZINC000520567375 406301420 /nfs/dbraw/zinc/30/14/20/406301420.db2.gz CLEMAYPVEAATBJ-UHFFFAOYSA-N 2 1 317.433 2.179 20 30 DEEDMP C[N@@H+](CCOc1cccc(C[NH2+]CCC#N)c1)C1CCOCC1 ZINC000520567375 406301422 /nfs/dbraw/zinc/30/14/22/406301422.db2.gz CLEMAYPVEAATBJ-UHFFFAOYSA-N 2 1 317.433 2.179 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569803961 406304407 /nfs/dbraw/zinc/30/44/07/406304407.db2.gz GTCPLBAIUWYVEC-RYQLBKOJSA-N 2 1 318.461 2.227 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000491118328 406529205 /nfs/dbraw/zinc/52/92/05/406529205.db2.gz CIMFIHUTFORQSG-AWEZNQCLSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000491118328 406529211 /nfs/dbraw/zinc/52/92/11/406529211.db2.gz CIMFIHUTFORQSG-AWEZNQCLSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000491765153 406707729 /nfs/dbraw/zinc/70/77/29/406707729.db2.gz BUDKVRQDOSTEND-INIZCTEOSA-N 2 1 321.852 2.014 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000491765153 406707732 /nfs/dbraw/zinc/70/77/32/406707732.db2.gz BUDKVRQDOSTEND-INIZCTEOSA-N 2 1 321.852 2.014 20 30 DEEDMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661379748 425395523 /nfs/dbraw/zinc/39/55/23/425395523.db2.gz ICQOQYCJTASOGH-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP CCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000264143619 276145381 /nfs/dbraw/zinc/14/53/81/276145381.db2.gz XFZGDNGZOODLBX-INIZCTEOSA-N 2 1 304.438 2.146 20 30 DEEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329800391 288125366 /nfs/dbraw/zinc/12/53/66/288125366.db2.gz INESAEMIGJZIPQ-IUODEOHRSA-N 2 1 322.497 2.282 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000491771676 333200234 /nfs/dbraw/zinc/20/02/34/333200234.db2.gz OWVZCKNCTGFKAY-UHFFFAOYSA-N 2 1 307.825 2.213 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000491771676 333200235 /nfs/dbraw/zinc/20/02/35/333200235.db2.gz OWVZCKNCTGFKAY-UHFFFAOYSA-N 2 1 307.825 2.213 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001378378346 1152310132 /nfs/dbraw/zinc/31/01/32/1152310132.db2.gz HVXXWDMTFGSBJP-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329860301 1149005178 /nfs/dbraw/zinc/00/51/78/1149005178.db2.gz BOVWALOTJPYRMT-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089056803 782141658 /nfs/dbraw/zinc/14/16/58/782141658.db2.gz VRSXWMFNGWUWBM-PBHICJAKSA-N 2 1 301.434 2.127 20 30 DEEDMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264118721 527955216 /nfs/dbraw/zinc/95/52/16/527955216.db2.gz UHEHLWKSCCCYNT-QGZVFWFLSA-N 2 1 302.466 2.111 20 30 DEEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1C[C@H]1C ZINC000262842324 528816907 /nfs/dbraw/zinc/81/69/07/528816907.db2.gz UTCZSCHEHHVNMU-IUODEOHRSA-N 2 1 312.421 2.039 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC2(CCCCC2)O1 ZINC000262357568 529101424 /nfs/dbraw/zinc/10/14/24/529101424.db2.gz JPIINMWTCYUMGQ-HOTGVXAUSA-N 2 1 322.497 2.257 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694841 625390771 /nfs/dbraw/zinc/39/07/71/625390771.db2.gz MGEWQAAJGKCKOJ-QGZVFWFLSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008280142 625419691 /nfs/dbraw/zinc/41/96/91/625419691.db2.gz RURVPSANTWIUCT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008280142 625419693 /nfs/dbraw/zinc/41/96/93/625419693.db2.gz RURVPSANTWIUCT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008280142 625419695 /nfs/dbraw/zinc/41/96/95/625419695.db2.gz RURVPSANTWIUCT-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000170913308 625472556 /nfs/dbraw/zinc/47/25/56/625472556.db2.gz UUXLXMBQYWFXLY-CABCVRRESA-N 2 1 318.465 2.220 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001026507123 625488635 /nfs/dbraw/zinc/48/86/35/625488635.db2.gz MWDKNQAUVCEDHS-HTWSVDAQSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519469 625495202 /nfs/dbraw/zinc/49/52/02/625495202.db2.gz KKDCQRJIAYYAJJ-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969832842 622942476 /nfs/dbraw/zinc/94/24/76/622942476.db2.gz JWDUBRBUHLMMRX-SJORKVTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833092 622942525 /nfs/dbraw/zinc/94/25/25/622942525.db2.gz LPNGSHFCIHHWDU-YJBOKZPZSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025905 623066045 /nfs/dbraw/zinc/06/60/45/623066045.db2.gz ALNHCBUOAMLDTR-RDJZCZTQSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000970803482 623691030 /nfs/dbraw/zinc/69/10/30/623691030.db2.gz JIMWMBLIIIMCSB-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670228 623929330 /nfs/dbraw/zinc/92/93/30/623929330.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670228 623929335 /nfs/dbraw/zinc/92/93/35/623929335.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670228 623929339 /nfs/dbraw/zinc/92/93/39/623929339.db2.gz JMVLBASDNAWVAZ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735437 624017948 /nfs/dbraw/zinc/01/79/48/624017948.db2.gz FLRLTQXISJZMFN-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735437 624017950 /nfs/dbraw/zinc/01/79/50/624017950.db2.gz FLRLTQXISJZMFN-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735439 624018004 /nfs/dbraw/zinc/01/80/04/624018004.db2.gz FLRLTQXISJZMFN-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735439 624018006 /nfs/dbraw/zinc/01/80/06/624018006.db2.gz FLRLTQXISJZMFN-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683046 624504969 /nfs/dbraw/zinc/50/49/69/624504969.db2.gz SCFIMMKSOCNGDM-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683046 624504970 /nfs/dbraw/zinc/50/49/70/624504970.db2.gz SCFIMMKSOCNGDM-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971683046 624504971 /nfs/dbraw/zinc/50/49/71/624504971.db2.gz SCFIMMKSOCNGDM-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845746 624642341 /nfs/dbraw/zinc/64/23/41/624642341.db2.gz ZYFMWBSCPUEUJE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845746 624642344 /nfs/dbraw/zinc/64/23/44/624642344.db2.gz ZYFMWBSCPUEUJE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845746 624642345 /nfs/dbraw/zinc/64/23/45/624642345.db2.gz ZYFMWBSCPUEUJE-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947506891 624928027 /nfs/dbraw/zinc/92/80/27/624928027.db2.gz UDJIOKRTTQGBJY-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751024 625035172 /nfs/dbraw/zinc/03/51/72/625035172.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001024751024 625035177 /nfs/dbraw/zinc/03/51/77/625035177.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001024751024 625035185 /nfs/dbraw/zinc/03/51/85/625035185.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751024 625035192 /nfs/dbraw/zinc/03/51/92/625035192.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001024751024 625035196 /nfs/dbraw/zinc/03/51/96/625035196.db2.gz AYVFVSNVHCRSBC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100055 625135613 /nfs/dbraw/zinc/13/56/13/625135613.db2.gz SPQOHEWPBIDSPH-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100055 625135614 /nfs/dbraw/zinc/13/56/14/625135614.db2.gz SPQOHEWPBIDSPH-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100055 625135615 /nfs/dbraw/zinc/13/56/15/625135615.db2.gz SPQOHEWPBIDSPH-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342022 625221013 /nfs/dbraw/zinc/22/10/13/625221013.db2.gz CWPQEBWWXNWJHT-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007342022 625221016 /nfs/dbraw/zinc/22/10/16/625221016.db2.gz CWPQEBWWXNWJHT-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007342022 625221018 /nfs/dbraw/zinc/22/10/18/625221018.db2.gz CWPQEBWWXNWJHT-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023363887 625238530 /nfs/dbraw/zinc/23/85/30/625238530.db2.gz DXENGVNAERORBV-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023363887 625238536 /nfs/dbraw/zinc/23/85/36/625238536.db2.gz DXENGVNAERORBV-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402029 625254132 /nfs/dbraw/zinc/25/41/32/625254132.db2.gz DJMMQVGRNKAFEX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402029 625254135 /nfs/dbraw/zinc/25/41/35/625254135.db2.gz DJMMQVGRNKAFEX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449936 625273167 /nfs/dbraw/zinc/27/31/67/625273167.db2.gz CAYBPIFCDFFYIJ-KRWDZBQOSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455926 625277808 /nfs/dbraw/zinc/27/78/08/625277808.db2.gz UGHSWEDUIWCLEW-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455926 625277810 /nfs/dbraw/zinc/27/78/10/625277810.db2.gz UGHSWEDUIWCLEW-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455926 625277815 /nfs/dbraw/zinc/27/78/15/625277815.db2.gz UGHSWEDUIWCLEW-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522608 625835678 /nfs/dbraw/zinc/83/56/78/625835678.db2.gz HCZXOCYXVWHREC-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522608 625835687 /nfs/dbraw/zinc/83/56/87/625835687.db2.gz HCZXOCYXVWHREC-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522608 625835692 /nfs/dbraw/zinc/83/56/92/625835692.db2.gz HCZXOCYXVWHREC-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522608 625835696 /nfs/dbraw/zinc/83/56/96/625835696.db2.gz HCZXOCYXVWHREC-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522608 625835701 /nfs/dbraw/zinc/83/57/01/625835701.db2.gz HCZXOCYXVWHREC-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523372 625837630 /nfs/dbraw/zinc/83/76/30/625837630.db2.gz PVLDNGCUQHQYJP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523372 625837634 /nfs/dbraw/zinc/83/76/34/625837634.db2.gz PVLDNGCUQHQYJP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523372 625837638 /nfs/dbraw/zinc/83/76/38/625837638.db2.gz PVLDNGCUQHQYJP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024620426 625938196 /nfs/dbraw/zinc/93/81/96/625938196.db2.gz UNQHZVZADRLDKH-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620426 625938200 /nfs/dbraw/zinc/93/82/00/625938200.db2.gz UNQHZVZADRLDKH-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024620426 625938202 /nfs/dbraw/zinc/93/82/02/625938202.db2.gz UNQHZVZADRLDKH-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142535 634492630 /nfs/dbraw/zinc/49/26/30/634492630.db2.gz AWXLNQUXOOCVBD-LSDHHAIUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999198312 634513823 /nfs/dbraw/zinc/51/38/23/634513823.db2.gz BJRQLHLMVIPCEC-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000999972523 634712386 /nfs/dbraw/zinc/71/23/86/634712386.db2.gz GHLJGOQWKBCBIL-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975061 633382150 /nfs/dbraw/zinc/38/21/50/633382150.db2.gz SCGQSSLNTPDWJP-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975061 633382151 /nfs/dbraw/zinc/38/21/51/633382151.db2.gz SCGQSSLNTPDWJP-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974975061 633382153 /nfs/dbraw/zinc/38/21/53/633382153.db2.gz SCGQSSLNTPDWJP-JYJNAYRXSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996753753 633390413 /nfs/dbraw/zinc/39/04/13/633390413.db2.gz TYGWBRINBQQZFZ-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009050463 633497437 /nfs/dbraw/zinc/49/74/37/633497437.db2.gz LPSBVNFLRRAQAH-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997006315 633559427 /nfs/dbraw/zinc/55/94/27/633559427.db2.gz KTOAEWQGKXTPAJ-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997180762 633669598 /nfs/dbraw/zinc/66/95/98/633669598.db2.gz MSSZDKIFZPLPDV-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939280 634039015 /nfs/dbraw/zinc/03/90/15/634039015.db2.gz GOXZSBBTPSFUNX-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939280 634039030 /nfs/dbraw/zinc/03/90/30/634039030.db2.gz GOXZSBBTPSFUNX-CABCVRRESA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027614845 634292572 /nfs/dbraw/zinc/29/25/72/634292572.db2.gz GPAZLOABJKGZOS-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486677 635018779 /nfs/dbraw/zinc/01/87/79/635018779.db2.gz VMJMNFDYTJJGEF-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027964824 635100574 /nfs/dbraw/zinc/10/05/74/635100574.db2.gz PEHFHERNCCUOBW-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363614 635454057 /nfs/dbraw/zinc/45/40/57/635454057.db2.gz JJWTUUZXEISODX-CABCVRRESA-N 2 1 304.438 2.210 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028104770 635542963 /nfs/dbraw/zinc/54/29/63/635542963.db2.gz LPMDXQDYTVDDRG-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028104770 635542967 /nfs/dbraw/zinc/54/29/67/635542967.db2.gz LPMDXQDYTVDDRG-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981767082 635635735 /nfs/dbraw/zinc/63/57/35/635635735.db2.gz HJGRNUWFESWRFS-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767082 635635741 /nfs/dbraw/zinc/63/57/41/635635741.db2.gz HJGRNUWFESWRFS-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767082 635635742 /nfs/dbraw/zinc/63/57/42/635635742.db2.gz HJGRNUWFESWRFS-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001002955310 635860357 /nfs/dbraw/zinc/86/03/57/635860357.db2.gz KITFFVPPDNWCAH-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282370 635943575 /nfs/dbraw/zinc/94/35/75/635943575.db2.gz ZYINNSBMYBRRMX-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282370 635943578 /nfs/dbraw/zinc/94/35/78/635943578.db2.gz ZYINNSBMYBRRMX-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282370 635943581 /nfs/dbraw/zinc/94/35/81/635943581.db2.gz ZYINNSBMYBRRMX-RWQQGDIJSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292612 635950338 /nfs/dbraw/zinc/95/03/38/635950338.db2.gz QOLVKQFIMDTGCI-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292612 635950341 /nfs/dbraw/zinc/95/03/41/635950341.db2.gz QOLVKQFIMDTGCI-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292612 635950344 /nfs/dbraw/zinc/95/03/44/635950344.db2.gz QOLVKQFIMDTGCI-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003775960 636050957 /nfs/dbraw/zinc/05/09/57/636050957.db2.gz DCGZYHBFKRQVCG-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001003983332 636109377 /nfs/dbraw/zinc/10/93/77/636109377.db2.gz KBZSLNQAYRDZNN-UHFFFAOYSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004367416 636394311 /nfs/dbraw/zinc/39/43/11/636394311.db2.gz CMXOMSHXNSJOET-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004367416 636394313 /nfs/dbraw/zinc/39/43/13/636394313.db2.gz CMXOMSHXNSJOET-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004367416 636394315 /nfs/dbraw/zinc/39/43/15/636394315.db2.gz CMXOMSHXNSJOET-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005390850 636730530 /nfs/dbraw/zinc/73/05/30/636730530.db2.gz MQCOKXBRKIETFZ-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC[C@@H]2C1 ZINC000946859343 636965182 /nfs/dbraw/zinc/96/51/82/636965182.db2.gz REBPRMWMZHYUPG-GASCZTMLSA-N 2 1 316.449 2.044 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC[C@@H]2C1 ZINC000946859343 636965188 /nfs/dbraw/zinc/96/51/88/636965188.db2.gz REBPRMWMZHYUPG-GASCZTMLSA-N 2 1 316.449 2.044 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946859205 636965234 /nfs/dbraw/zinc/96/52/34/636965234.db2.gz NUDDBSUXLSLJSD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946859205 636965240 /nfs/dbraw/zinc/96/52/40/636965240.db2.gz NUDDBSUXLSLJSD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946859205 636965244 /nfs/dbraw/zinc/96/52/44/636965244.db2.gz NUDDBSUXLSLJSD-OKZBNKHCSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946859204 636965427 /nfs/dbraw/zinc/96/54/27/636965427.db2.gz NUDDBSUXLSLJSD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946859204 636965432 /nfs/dbraw/zinc/96/54/32/636965432.db2.gz NUDDBSUXLSLJSD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946859204 636965438 /nfs/dbraw/zinc/96/54/38/636965438.db2.gz NUDDBSUXLSLJSD-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP CN1CCC[NH+]=C1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000263116028 640059968 /nfs/dbraw/zinc/05/99/68/640059968.db2.gz LMWNLQOHIZWCFN-QGZVFWFLSA-N 2 1 300.450 2.178 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000764614152 640663803 /nfs/dbraw/zinc/66/38/03/640663803.db2.gz TVJHOLTZFABUEA-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483226 641121029 /nfs/dbraw/zinc/12/10/29/641121029.db2.gz PSZWBKFTLQDTDE-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989515034 641133808 /nfs/dbraw/zinc/13/38/08/641133808.db2.gz OWMXRAHGLNYXEA-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989729960 641211399 /nfs/dbraw/zinc/21/13/99/641211399.db2.gz IARZXSVFGFVBLP-UHFFFAOYSA-N 2 1 315.461 2.472 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000842477390 650749698 /nfs/dbraw/zinc/74/96/98/650749698.db2.gz SZBCTWNBZFASNF-SJORKVTESA-N 2 1 322.497 2.177 20 30 DEEDMP CN1CCN(N=C2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842522883 650759704 /nfs/dbraw/zinc/75/97/04/650759704.db2.gz RYROSAILHZESTH-UHFFFAOYSA-N 2 1 312.461 2.418 20 30 DEEDMP C[NH+]1CCN(N=C2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842522883 650759709 /nfs/dbraw/zinc/75/97/09/650759709.db2.gz RYROSAILHZESTH-UHFFFAOYSA-N 2 1 312.461 2.418 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991858798 646671599 /nfs/dbraw/zinc/67/15/99/646671599.db2.gz HLCXMXOVENSFOW-FUHWJXTLSA-N 2 1 310.401 2.247 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000170913312 646675466 /nfs/dbraw/zinc/67/54/66/646675466.db2.gz UUXLXMBQYWFXLY-GJZGRUSLSA-N 2 1 318.465 2.220 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991992960 646823041 /nfs/dbraw/zinc/82/30/41/646823041.db2.gz HCIUNWVMHPVABZ-ZIFCJYIRSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175099 646886149 /nfs/dbraw/zinc/88/61/49/646886149.db2.gz TUGWZURDTPRTEB-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992175099 646886152 /nfs/dbraw/zinc/88/61/52/646886152.db2.gz TUGWZURDTPRTEB-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992194290 646896773 /nfs/dbraw/zinc/89/67/73/646896773.db2.gz XMTAAQMQKMZYOB-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992194290 646896777 /nfs/dbraw/zinc/89/67/77/646896777.db2.gz XMTAAQMQKMZYOB-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992194290 646896779 /nfs/dbraw/zinc/89/67/79/646896779.db2.gz XMTAAQMQKMZYOB-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992499109 647074844 /nfs/dbraw/zinc/07/48/44/647074844.db2.gz GVRXJBGSDTYJJA-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992499109 647074847 /nfs/dbraw/zinc/07/48/47/647074847.db2.gz GVRXJBGSDTYJJA-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535336 647692505 /nfs/dbraw/zinc/69/25/05/647692505.db2.gz JDAVXNCCZUPCPD-WMLDXEAASA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994268348 647888917 /nfs/dbraw/zinc/88/89/17/647888917.db2.gz MCNCSYCVAUDQEP-GDBMZVCRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994268348 647888920 /nfs/dbraw/zinc/88/89/20/647888920.db2.gz MCNCSYCVAUDQEP-GDBMZVCRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221356 649024770 /nfs/dbraw/zinc/02/47/70/649024770.db2.gz RPBSPSXHAAPEQX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583884 651954455 /nfs/dbraw/zinc/95/44/55/651954455.db2.gz BCPDFFGYGGOABM-GOSISDBHSA-N 2 1 301.434 2.400 20 30 DEEDMP C#CCCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583884 651954457 /nfs/dbraw/zinc/95/44/57/651954457.db2.gz BCPDFFGYGGOABM-GOSISDBHSA-N 2 1 301.434 2.400 20 30 DEEDMP C#CCCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583884 651954459 /nfs/dbraw/zinc/95/44/59/651954459.db2.gz BCPDFFGYGGOABM-GOSISDBHSA-N 2 1 301.434 2.400 20 30 DEEDMP CCc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104159744 684058250 /nfs/dbraw/zinc/05/82/50/684058250.db2.gz REKZXDJNCUXBIR-GASCZTMLSA-N 2 1 318.465 2.475 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164217 693867432 /nfs/dbraw/zinc/86/74/32/693867432.db2.gz DMPZKFZYYLQCHD-IBGZPJMESA-N 2 1 324.428 2.448 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197937 693879605 /nfs/dbraw/zinc/87/96/05/693879605.db2.gz LZXYETNYJREAPQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197937 693879608 /nfs/dbraw/zinc/87/96/08/693879608.db2.gz LZXYETNYJREAPQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197937 693879612 /nfs/dbraw/zinc/87/96/12/693879612.db2.gz LZXYETNYJREAPQ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291987 693917523 /nfs/dbraw/zinc/91/75/23/693917523.db2.gz NVNQCRYLFFCPMJ-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291987 693917529 /nfs/dbraw/zinc/91/75/29/693917529.db2.gz NVNQCRYLFFCPMJ-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291987 693917531 /nfs/dbraw/zinc/91/75/31/693917531.db2.gz NVNQCRYLFFCPMJ-KRWDZBQOSA-N 2 1 313.445 2.146 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303771960 685233437 /nfs/dbraw/zinc/23/34/37/685233437.db2.gz DCSDKQKGIRMVNK-QGZVFWFLSA-N 2 1 318.465 2.387 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000303708981 685233558 /nfs/dbraw/zinc/23/35/58/685233558.db2.gz NLSKKHUSJCHGIK-OAHLLOKOSA-N 2 1 322.453 2.138 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000865641180 687287710 /nfs/dbraw/zinc/28/77/10/687287710.db2.gz UUPNYGVOAWFNHI-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000865641180 687287712 /nfs/dbraw/zinc/28/77/12/687287712.db2.gz UUPNYGVOAWFNHI-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016794316 687704767 /nfs/dbraw/zinc/70/47/67/687704767.db2.gz VDRHPNBMBJONNY-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016982867 687749536 /nfs/dbraw/zinc/74/95/36/687749536.db2.gz MQZFBOCCOJGWIV-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001017600375 687920831 /nfs/dbraw/zinc/92/08/31/687920831.db2.gz IMXCAPBZWDFAAQ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017600375 687920834 /nfs/dbraw/zinc/92/08/34/687920834.db2.gz IMXCAPBZWDFAAQ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017600375 687920837 /nfs/dbraw/zinc/92/08/37/687920837.db2.gz IMXCAPBZWDFAAQ-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017633369 687929025 /nfs/dbraw/zinc/92/90/25/687929025.db2.gz VYDOEMZVPWCYEZ-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017633369 687929031 /nfs/dbraw/zinc/92/90/31/687929031.db2.gz VYDOEMZVPWCYEZ-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017633369 687929035 /nfs/dbraw/zinc/92/90/35/687929035.db2.gz VYDOEMZVPWCYEZ-ZACQAIPSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133060 688060249 /nfs/dbraw/zinc/06/02/49/688060249.db2.gz QNMMRBVVENZMCO-HDICACEKSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001375744573 1158859637 /nfs/dbraw/zinc/85/96/37/1158859637.db2.gz AICSZNGAINSULI-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088832 688533126 /nfs/dbraw/zinc/53/31/26/688533126.db2.gz QPWKOBZKWUDONJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088832 688533128 /nfs/dbraw/zinc/53/31/28/688533128.db2.gz QPWKOBZKWUDONJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088832 688533131 /nfs/dbraw/zinc/53/31/31/688533131.db2.gz QPWKOBZKWUDONJ-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223693 689430068 /nfs/dbraw/zinc/43/00/68/689430068.db2.gz TVTZVYYKIYRXCU-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223693 689430069 /nfs/dbraw/zinc/43/00/69/689430069.db2.gz TVTZVYYKIYRXCU-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223693 689430070 /nfs/dbraw/zinc/43/00/70/689430070.db2.gz TVTZVYYKIYRXCU-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223629 689430080 /nfs/dbraw/zinc/43/00/80/689430080.db2.gz RUCWLFIEKKRMNO-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223629 689430081 /nfs/dbraw/zinc/43/00/81/689430081.db2.gz RUCWLFIEKKRMNO-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223629 689430082 /nfs/dbraw/zinc/43/00/82/689430082.db2.gz RUCWLFIEKKRMNO-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354053 689473802 /nfs/dbraw/zinc/47/38/02/689473802.db2.gz MJWMYKBQAIIFTP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033354053 689473803 /nfs/dbraw/zinc/47/38/03/689473803.db2.gz MJWMYKBQAIIFTP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033354053 689473804 /nfs/dbraw/zinc/47/38/04/689473804.db2.gz MJWMYKBQAIIFTP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033374361 689480253 /nfs/dbraw/zinc/48/02/53/689480253.db2.gz ZANQTOOVHVDSHV-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033374361 689480255 /nfs/dbraw/zinc/48/02/55/689480255.db2.gz ZANQTOOVHVDSHV-HNNXBMFYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033549080 689538761 /nfs/dbraw/zinc/53/87/61/689538761.db2.gz VDFLNFIUVIGFHI-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684939 689583380 /nfs/dbraw/zinc/58/33/80/689583380.db2.gz JHSYKDRFHFTJPA-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856724 689640784 /nfs/dbraw/zinc/64/07/84/689640784.db2.gz VYNAYYOAMGYKDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856724 689640787 /nfs/dbraw/zinc/64/07/87/689640787.db2.gz VYNAYYOAMGYKDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856724 689640789 /nfs/dbraw/zinc/64/07/89/689640789.db2.gz VYNAYYOAMGYKDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212325 689764693 /nfs/dbraw/zinc/76/46/93/689764693.db2.gz XJOMYQYKQKZMRL-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284133 689793851 /nfs/dbraw/zinc/79/38/51/689793851.db2.gz HUJMDAUQLCEYSQ-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034331939 689812465 /nfs/dbraw/zinc/81/24/65/689812465.db2.gz WBVSBYZHJGVPKX-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433887 689848879 /nfs/dbraw/zinc/84/88/79/689848879.db2.gz HVHLKVQEMJECKO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433887 689848882 /nfs/dbraw/zinc/84/88/82/689848882.db2.gz HVHLKVQEMJECKO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433887 689848887 /nfs/dbraw/zinc/84/88/87/689848887.db2.gz HVHLKVQEMJECKO-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642528 689917244 /nfs/dbraw/zinc/91/72/44/689917244.db2.gz GPEUMMBOOMMYOJ-TVFCKZIOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876731679 689919213 /nfs/dbraw/zinc/91/92/13/689919213.db2.gz MZKXCVYOWLUDSB-CQSZACIVSA-N 2 1 301.862 2.035 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000876737505 689921996 /nfs/dbraw/zinc/92/19/96/689921996.db2.gz RWKNWMPZWBJGAM-DGCLKSJQSA-N 2 1 301.862 2.083 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035214026 690062249 /nfs/dbraw/zinc/06/22/49/690062249.db2.gz VNVYJZIHPZDPBF-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001036184565 690284227 /nfs/dbraw/zinc/28/42/27/690284227.db2.gz YSRUXKMKKKUWHX-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036204210 690290462 /nfs/dbraw/zinc/29/04/62/690290462.db2.gz FBTDBRAUTBQHCK-CABCVRRESA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036763179 690464224 /nfs/dbraw/zinc/46/42/24/690464224.db2.gz WPKLRWXNAZWZIW-AEFFLSMTSA-N 2 1 324.428 2.447 20 30 DEEDMP COCC[N@@H+](CCc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879127011 690573585 /nfs/dbraw/zinc/57/35/85/690573585.db2.gz PSRSUSAUEHAKPW-UHFFFAOYSA-N 2 1 315.461 2.391 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643257 690884766 /nfs/dbraw/zinc/88/47/66/690884766.db2.gz GCLQVFWPRPDUDR-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643257 690884771 /nfs/dbraw/zinc/88/47/71/690884771.db2.gz GCLQVFWPRPDUDR-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133106 691029938 /nfs/dbraw/zinc/02/99/38/691029938.db2.gz FLKRNCFBZKLJKR-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133106 691029943 /nfs/dbraw/zinc/02/99/43/691029943.db2.gz FLKRNCFBZKLJKR-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133106 691029947 /nfs/dbraw/zinc/02/99/47/691029947.db2.gz FLKRNCFBZKLJKR-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231217 691062608 /nfs/dbraw/zinc/06/26/08/691062608.db2.gz UYATYCHVWFQMGL-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231217 691062612 /nfs/dbraw/zinc/06/26/12/691062612.db2.gz UYATYCHVWFQMGL-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201687 691213065 /nfs/dbraw/zinc/21/30/65/691213065.db2.gz NGLFISZTVDZIBQ-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201687 691213069 /nfs/dbraw/zinc/21/30/69/691213069.db2.gz NGLFISZTVDZIBQ-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201687 691213074 /nfs/dbraw/zinc/21/30/74/691213074.db2.gz NGLFISZTVDZIBQ-HKUYNNGSSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263863 691222661 /nfs/dbraw/zinc/22/26/61/691222661.db2.gz JCYDGJIVYZUFBC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263863 691222662 /nfs/dbraw/zinc/22/26/62/691222662.db2.gz JCYDGJIVYZUFBC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263863 691222663 /nfs/dbraw/zinc/22/26/63/691222663.db2.gz JCYDGJIVYZUFBC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041373795 691367729 /nfs/dbraw/zinc/36/77/29/691367729.db2.gz XSKJRRVEJWJPHN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373795 691367733 /nfs/dbraw/zinc/36/77/33/691367733.db2.gz XSKJRRVEJWJPHN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041373795 691367738 /nfs/dbraw/zinc/36/77/38/691367738.db2.gz XSKJRRVEJWJPHN-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670424 691407440 /nfs/dbraw/zinc/40/74/40/691407440.db2.gz HUQLNCJEZROBDJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670424 691407442 /nfs/dbraw/zinc/40/74/42/691407442.db2.gz HUQLNCJEZROBDJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670424 691407443 /nfs/dbraw/zinc/40/74/43/691407443.db2.gz HUQLNCJEZROBDJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679842 691409750 /nfs/dbraw/zinc/40/97/50/691409750.db2.gz OZZKDZZTXKGLFU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679842 691409752 /nfs/dbraw/zinc/40/97/52/691409752.db2.gz OZZKDZZTXKGLFU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679842 691409753 /nfs/dbraw/zinc/40/97/53/691409753.db2.gz OZZKDZZTXKGLFU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001041807980 691436252 /nfs/dbraw/zinc/43/62/52/691436252.db2.gz UWGXPNZARUQCOC-GOSISDBHSA-N 2 1 316.449 2.151 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216150 691538223 /nfs/dbraw/zinc/53/82/23/691538223.db2.gz MKXDCZLDRTWVRK-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045478988 691987206 /nfs/dbraw/zinc/98/72/06/691987206.db2.gz LVDWCEFPEUPKOK-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585137 692001349 /nfs/dbraw/zinc/00/13/49/692001349.db2.gz NZJQUVUYFLKXJS-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319949 692152793 /nfs/dbraw/zinc/15/27/93/692152793.db2.gz YXKXWIUANBGSMO-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319949 692152797 /nfs/dbraw/zinc/15/27/97/692152797.db2.gz YXKXWIUANBGSMO-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319949 692152799 /nfs/dbraw/zinc/15/27/99/692152799.db2.gz YXKXWIUANBGSMO-QFBILLFUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048546073 692644225 /nfs/dbraw/zinc/64/42/25/692644225.db2.gz QSCGTTHWAOULNU-ACHSLPGTSA-N 2 1 324.428 2.493 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235799 692796780 /nfs/dbraw/zinc/79/67/80/692796780.db2.gz SCYLJAVXLGKWEO-KSZLIROESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509409 692904039 /nfs/dbraw/zinc/90/40/39/692904039.db2.gz UCBQDZZLQGKOIY-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509409 692904044 /nfs/dbraw/zinc/90/40/44/692904044.db2.gz UCBQDZZLQGKOIY-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509409 692904051 /nfs/dbraw/zinc/90/40/51/692904051.db2.gz UCBQDZZLQGKOIY-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049702211 692968453 /nfs/dbraw/zinc/96/84/53/692968453.db2.gz FXRWSOSMHHCCAJ-GVDBMIGSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903813 693043334 /nfs/dbraw/zinc/04/33/34/693043334.db2.gz ZUOVXAUEVXQPSZ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903813 693043338 /nfs/dbraw/zinc/04/33/38/693043338.db2.gz ZUOVXAUEVXQPSZ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049915122 693047375 /nfs/dbraw/zinc/04/73/75/693047375.db2.gz SOYWJBWRQGUYGR-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513509 693553907 /nfs/dbraw/zinc/55/39/07/693553907.db2.gz FETVDSJGZZVAGI-INIZCTEOSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591624 693574457 /nfs/dbraw/zinc/57/44/57/693574457.db2.gz PUBYGDNAEXUPMJ-IRXDYDNUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001052712290 693600914 /nfs/dbraw/zinc/60/09/14/693600914.db2.gz GRJGUGLEVOOJQS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712290 693600917 /nfs/dbraw/zinc/60/09/17/693600917.db2.gz GRJGUGLEVOOJQS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001052712290 693600920 /nfs/dbraw/zinc/60/09/20/693600920.db2.gz GRJGUGLEVOOJQS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763282 693614032 /nfs/dbraw/zinc/61/40/32/693614032.db2.gz GCQAZEOIHYOIKM-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001382543935 1153467548 /nfs/dbraw/zinc/46/75/48/1153467548.db2.gz XOBFYVOEUYCPIH-UONOGXRCSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001391104169 1156116369 /nfs/dbraw/zinc/11/63/69/1156116369.db2.gz VPLRSGMYKMQKEC-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001391104169 1156116370 /nfs/dbraw/zinc/11/63/70/1156116370.db2.gz VPLRSGMYKMQKEC-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001391104169 1156116371 /nfs/dbraw/zinc/11/63/71/1156116371.db2.gz VPLRSGMYKMQKEC-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001391104169 1156116373 /nfs/dbraw/zinc/11/63/73/1156116373.db2.gz VPLRSGMYKMQKEC-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001393761279 1157958725 /nfs/dbraw/zinc/95/87/25/1157958725.db2.gz QWUNTUXOTYNZML-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001393761279 1157958734 /nfs/dbraw/zinc/95/87/34/1157958734.db2.gz QWUNTUXOTYNZML-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001393761279 1157958742 /nfs/dbraw/zinc/95/87/42/1157958742.db2.gz QWUNTUXOTYNZML-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001393761279 1157958748 /nfs/dbraw/zinc/95/87/48/1157958748.db2.gz QWUNTUXOTYNZML-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001375588155 1158821765 /nfs/dbraw/zinc/82/17/65/1158821765.db2.gz SNLOSBFOJGKDLD-SNPRPXQTSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001377760225 1160809673 /nfs/dbraw/zinc/80/96/73/1160809673.db2.gz NAFFYIDJTMEOPO-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001377760225 1160809676 /nfs/dbraw/zinc/80/96/76/1160809676.db2.gz NAFFYIDJTMEOPO-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001377760225 1160809681 /nfs/dbraw/zinc/80/96/81/1160809681.db2.gz NAFFYIDJTMEOPO-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001404630096 1163762016 /nfs/dbraw/zinc/76/20/16/1163762016.db2.gz VLVJUQWLBVHKEI-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001404630096 1163762019 /nfs/dbraw/zinc/76/20/19/1163762019.db2.gz VLVJUQWLBVHKEI-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001404630096 1163762025 /nfs/dbraw/zinc/76/20/25/1163762025.db2.gz VLVJUQWLBVHKEI-HNNXBMFYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001406706705 1164804424 /nfs/dbraw/zinc/80/44/24/1164804424.db2.gz BIAQTZUKACVDIW-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001417895761 1167290251 /nfs/dbraw/zinc/29/02/51/1167290251.db2.gz MLKDZGIJSNYILC-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001417895761 1167290258 /nfs/dbraw/zinc/29/02/58/1167290258.db2.gz MLKDZGIJSNYILC-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001421828713 1172022893 /nfs/dbraw/zinc/02/28/93/1172022893.db2.gz PEBWVRMSQPADPF-AWEZNQCLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001421828713 1172022901 /nfs/dbraw/zinc/02/29/01/1172022901.db2.gz PEBWVRMSQPADPF-AWEZNQCLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001421828713 1172022909 /nfs/dbraw/zinc/02/29/09/1172022909.db2.gz PEBWVRMSQPADPF-AWEZNQCLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001421960454 1172188046 /nfs/dbraw/zinc/18/80/46/1172188046.db2.gz SVAJCLHFQTYIPK-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001422719265 1172828917 /nfs/dbraw/zinc/82/89/17/1172828917.db2.gz MTIYMZPLYFLHFK-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001422719265 1172828920 /nfs/dbraw/zinc/82/89/20/1172828920.db2.gz MTIYMZPLYFLHFK-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001422719265 1172828924 /nfs/dbraw/zinc/82/89/24/1172828924.db2.gz MTIYMZPLYFLHFK-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001422719265 1172828925 /nfs/dbraw/zinc/82/89/25/1172828925.db2.gz MTIYMZPLYFLHFK-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)CN(C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001422919496 1172932634 /nfs/dbraw/zinc/93/26/34/1172932634.db2.gz PSEKFROQVGVZOT-GOEBONIOSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001422933798 1172955246 /nfs/dbraw/zinc/95/52/46/1172955246.db2.gz LZOZXEVVPLRSRK-GJZGRUSLSA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424546375 1173826835 /nfs/dbraw/zinc/82/68/35/1173826835.db2.gz JYIHYOOXAAUYPA-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001424546375 1173826838 /nfs/dbraw/zinc/82/68/38/1173826838.db2.gz JYIHYOOXAAUYPA-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425950114 1174531256 /nfs/dbraw/zinc/53/12/56/1174531256.db2.gz HJTBPZFRSROJKK-KGLIPLIRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001441650521 1182114188 /nfs/dbraw/zinc/11/41/88/1182114188.db2.gz KJQRDGHBZZAUDK-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001332414520 1149858203 /nfs/dbraw/zinc/85/82/03/1149858203.db2.gz ZQCUOAHCKUOIOO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001333153223 1150008019 /nfs/dbraw/zinc/00/80/19/1150008019.db2.gz KUXNOEFMALAROS-DAWZGUTISA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255909 782579405 /nfs/dbraw/zinc/57/94/05/782579405.db2.gz OOVGSNAATHZOEP-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334929 782771770 /nfs/dbraw/zinc/77/17/70/782771770.db2.gz LOGOVOSNKZHMDX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334929 782771779 /nfs/dbraw/zinc/77/17/79/782771779.db2.gz LOGOVOSNKZHMDX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334929 782771785 /nfs/dbraw/zinc/77/17/85/782771785.db2.gz LOGOVOSNKZHMDX-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099240648 782816438 /nfs/dbraw/zinc/81/64/38/782816438.db2.gz UHMAKPMYHLTBBK-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240648 782816445 /nfs/dbraw/zinc/81/64/45/782816445.db2.gz UHMAKPMYHLTBBK-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240648 782816454 /nfs/dbraw/zinc/81/64/54/782816454.db2.gz UHMAKPMYHLTBBK-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089383153 783060450 /nfs/dbraw/zinc/06/04/50/783060450.db2.gz WVUVNMPSDQFJEA-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383153 783060453 /nfs/dbraw/zinc/06/04/53/783060453.db2.gz WVUVNMPSDQFJEA-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089383153 783060454 /nfs/dbraw/zinc/06/04/54/783060454.db2.gz WVUVNMPSDQFJEA-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)CC(C)(C)C1 ZINC001089408711 783077122 /nfs/dbraw/zinc/07/71/22/783077122.db2.gz FYUOMJSRIKGMNY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001089408711 783077124 /nfs/dbraw/zinc/07/71/24/783077124.db2.gz FYUOMJSRIKGMNY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)CC(C)(C)C1 ZINC001089408711 783077127 /nfs/dbraw/zinc/07/71/27/783077127.db2.gz FYUOMJSRIKGMNY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)CC(C)(C)C1 ZINC001089408711 783077129 /nfs/dbraw/zinc/07/71/29/783077129.db2.gz FYUOMJSRIKGMNY-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089420152 783085742 /nfs/dbraw/zinc/08/57/42/783085742.db2.gz KFUVJRYIZVKXRJ-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420152 783085753 /nfs/dbraw/zinc/08/57/53/783085753.db2.gz KFUVJRYIZVKXRJ-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089420152 783085761 /nfs/dbraw/zinc/08/57/61/783085761.db2.gz KFUVJRYIZVKXRJ-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C[C@@H]1C ZINC000947435686 783135846 /nfs/dbraw/zinc/13/58/46/783135846.db2.gz BGQCGZCJMKXLNE-JKSUJKDBSA-N 2 1 318.465 2.472 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947473856 783146673 /nfs/dbraw/zinc/14/66/73/783146673.db2.gz OUPFYFIKJWCXBW-GOEBONIOSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492246 783157055 /nfs/dbraw/zinc/15/70/55/783157055.db2.gz GCJBJVCLOGZUNB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492246 783157059 /nfs/dbraw/zinc/15/70/59/783157059.db2.gz GCJBJVCLOGZUNB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492246 783157064 /nfs/dbraw/zinc/15/70/64/783157064.db2.gz GCJBJVCLOGZUNB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125546 790471936 /nfs/dbraw/zinc/47/19/36/790471936.db2.gz AKMJLLPFGFKBTF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167225171 776782218 /nfs/dbraw/zinc/78/22/18/776782218.db2.gz PSJHDJGHMSSGCA-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355085 777112584 /nfs/dbraw/zinc/11/25/84/777112584.db2.gz MVAFZCKGODBDCP-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947606 777808458 /nfs/dbraw/zinc/80/84/58/777808458.db2.gz RHMTZFVXZCSBDV-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167736719 778232559 /nfs/dbraw/zinc/23/25/59/778232559.db2.gz HPDMNGPUDBBLKD-MRXNPFEDSA-N 2 1 307.482 2.171 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529514 778606190 /nfs/dbraw/zinc/60/61/90/778606190.db2.gz CSKLLODKRXNKCR-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578674 779361608 /nfs/dbraw/zinc/36/16/08/779361608.db2.gz IZJMJHUMJFRTCT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578674 779361612 /nfs/dbraw/zinc/36/16/12/779361612.db2.gz IZJMJHUMJFRTCT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578674 779361618 /nfs/dbraw/zinc/36/16/18/779361618.db2.gz IZJMJHUMJFRTCT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749502 779437018 /nfs/dbraw/zinc/43/70/18/779437018.db2.gz OAHIHZZXZJMZPR-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095304 779696989 /nfs/dbraw/zinc/69/69/89/779696989.db2.gz FZZKQGWICOVFQE-FGTMMUONSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000985598076 779949317 /nfs/dbraw/zinc/94/93/17/779949317.db2.gz FNRZVWISRAZAJH-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985598076 779949320 /nfs/dbraw/zinc/94/93/20/779949320.db2.gz FNRZVWISRAZAJH-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000985598076 779949323 /nfs/dbraw/zinc/94/93/23/779949323.db2.gz FNRZVWISRAZAJH-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810067 781022153 /nfs/dbraw/zinc/02/21/53/781022153.db2.gz CMFNNSLAHGPRME-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810067 781022161 /nfs/dbraw/zinc/02/21/61/781022161.db2.gz CMFNNSLAHGPRME-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810067 781022168 /nfs/dbraw/zinc/02/21/68/781022168.db2.gz CMFNNSLAHGPRME-IKGGRYGDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089732158 783396801 /nfs/dbraw/zinc/39/68/01/783396801.db2.gz NQYJTLTYASZEDD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732158 783396810 /nfs/dbraw/zinc/39/68/10/783396810.db2.gz NQYJTLTYASZEDD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089732158 783396819 /nfs/dbraw/zinc/39/68/19/783396819.db2.gz NQYJTLTYASZEDD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364332 783439579 /nfs/dbraw/zinc/43/95/79/783439579.db2.gz DLPNQCUXQSFNHF-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364332 783439587 /nfs/dbraw/zinc/43/95/87/783439587.db2.gz DLPNQCUXQSFNHF-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364332 783439593 /nfs/dbraw/zinc/43/95/93/783439593.db2.gz DLPNQCUXQSFNHF-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948589579 783513850 /nfs/dbraw/zinc/51/38/50/783513850.db2.gz CPRQXFGUXYCVJU-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496808 783520915 /nfs/dbraw/zinc/52/09/15/783520915.db2.gz LSQFXHIRZBYPPA-YVSFHVDLSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496808 783520926 /nfs/dbraw/zinc/52/09/26/783520926.db2.gz LSQFXHIRZBYPPA-YVSFHVDLSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496808 783520932 /nfs/dbraw/zinc/52/09/32/783520932.db2.gz LSQFXHIRZBYPPA-YVSFHVDLSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374414 783968760 /nfs/dbraw/zinc/96/87/60/783968760.db2.gz BPMPOCJYWKMMKO-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968192306 784247811 /nfs/dbraw/zinc/24/78/11/784247811.db2.gz QJBBYXZZDRYZGS-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331716 784294594 /nfs/dbraw/zinc/29/45/94/784294594.db2.gz QFTMVMJUNFQPSB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856075 784620723 /nfs/dbraw/zinc/62/07/23/784620723.db2.gz DDURTYFXVPGIKO-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936855 784659151 /nfs/dbraw/zinc/65/91/51/784659151.db2.gz SHZKVVOLJMFAOR-KRWDZBQOSA-N 2 1 324.428 2.332 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142088 785062165 /nfs/dbraw/zinc/06/21/65/785062165.db2.gz ZSGYRZKXJBLRGB-BRIYLRKRSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142088 785062168 /nfs/dbraw/zinc/06/21/68/785062168.db2.gz ZSGYRZKXJBLRGB-BRIYLRKRSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142088 785062174 /nfs/dbraw/zinc/06/21/74/785062174.db2.gz ZSGYRZKXJBLRGB-BRIYLRKRSA-N 2 1 320.477 2.438 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064472 785095662 /nfs/dbraw/zinc/09/56/62/785095662.db2.gz VQTIFEHAUCKIBP-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725483 785510960 /nfs/dbraw/zinc/51/09/60/785510960.db2.gz BGYBZOUMBNLMDQ-ULQDDVLXSA-N 2 1 316.449 2.127 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108791924 785539365 /nfs/dbraw/zinc/53/93/65/785539365.db2.gz DKWCHBBDDHEAJL-KKUMJFAQSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248666 791124969 /nfs/dbraw/zinc/12/49/69/791124969.db2.gz XFVZFLNURUQPIJ-JKSUJKDBSA-N 2 1 316.449 2.048 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406366 785857575 /nfs/dbraw/zinc/85/75/75/785857575.db2.gz YHKRSZMWTAQFPM-QZWWFDLISA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001112920802 786297675 /nfs/dbraw/zinc/29/76/75/786297675.db2.gz LBFLSZFPDINHFZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987770 786347833 /nfs/dbraw/zinc/34/78/33/786347833.db2.gz XDYZGGBDXDDTSF-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001113348628 786539664 /nfs/dbraw/zinc/53/96/64/786539664.db2.gz VVGONRSSULEMHR-SJORKVTESA-N 2 1 309.498 2.299 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015394851 787030659 /nfs/dbraw/zinc/03/06/59/787030659.db2.gz ZHGJNKCMSRTPTK-QGZVFWFLSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096015490 787450134 /nfs/dbraw/zinc/45/01/34/787450134.db2.gz HYUNIYGOBHPSBR-LDDOYCOJSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015490 787450137 /nfs/dbraw/zinc/45/01/37/787450137.db2.gz HYUNIYGOBHPSBR-LDDOYCOJSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096015490 787450139 /nfs/dbraw/zinc/45/01/39/787450139.db2.gz HYUNIYGOBHPSBR-LDDOYCOJSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096102596 787504796 /nfs/dbraw/zinc/50/47/96/787504796.db2.gz AFTLIMZVARTNDE-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096102596 787504802 /nfs/dbraw/zinc/50/48/02/787504802.db2.gz AFTLIMZVARTNDE-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096102596 787504807 /nfs/dbraw/zinc/50/48/07/787504807.db2.gz AFTLIMZVARTNDE-LTIDMASMSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111591 787936464 /nfs/dbraw/zinc/93/64/64/787936464.db2.gz TYOXCJSZGGIQFB-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111591 787936469 /nfs/dbraw/zinc/93/64/69/787936469.db2.gz TYOXCJSZGGIQFB-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111591 787936473 /nfs/dbraw/zinc/93/64/73/787936473.db2.gz TYOXCJSZGGIQFB-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493964 788104327 /nfs/dbraw/zinc/10/43/27/788104327.db2.gz OIMKDCOQLPPVBE-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517357 788107512 /nfs/dbraw/zinc/10/75/12/788107512.db2.gz BGOXFWVKCSUPED-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548378 788125484 /nfs/dbraw/zinc/12/54/84/788125484.db2.gz CMPNQCCCMXWHOX-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549752 788127342 /nfs/dbraw/zinc/12/73/42/788127342.db2.gz ZCJPWSCMCJPNBY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097695290 788183032 /nfs/dbraw/zinc/18/30/32/788183032.db2.gz VVTXBKYAGCUDJZ-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097695290 788183037 /nfs/dbraw/zinc/18/30/37/788183037.db2.gz VVTXBKYAGCUDJZ-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097695290 788183041 /nfs/dbraw/zinc/18/30/41/788183041.db2.gz VVTXBKYAGCUDJZ-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457661 788273905 /nfs/dbraw/zinc/27/39/05/788273905.db2.gz IULZNTWGGYUTAX-ZACQAIPSSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097953099 788292114 /nfs/dbraw/zinc/29/21/14/788292114.db2.gz RMZRBUIZHJTPRP-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097953099 788292118 /nfs/dbraw/zinc/29/21/18/788292118.db2.gz RMZRBUIZHJTPRP-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133143165 788294649 /nfs/dbraw/zinc/29/46/49/788294649.db2.gz RJTSYHQDMNRMPV-HOTGVXAUSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133229326 788324365 /nfs/dbraw/zinc/32/43/65/788324365.db2.gz IRBGPAJPADDLHW-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086819993 789643786 /nfs/dbraw/zinc/64/37/86/789643786.db2.gz KVASLPCTOQMSPA-GVDBMIGSSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507828 789747497 /nfs/dbraw/zinc/74/74/97/789747497.db2.gz CGGLHWBHYRTJKC-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820597 789928590 /nfs/dbraw/zinc/92/85/90/789928590.db2.gz AJFKACFUPXSGQB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820597 789928594 /nfs/dbraw/zinc/92/85/94/789928594.db2.gz AJFKACFUPXSGQB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071820597 789928598 /nfs/dbraw/zinc/92/85/98/789928598.db2.gz AJFKACFUPXSGQB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147466497 791542453 /nfs/dbraw/zinc/54/24/53/791542453.db2.gz NFZNVKOGSOKICG-QGZVFWFLSA-N 2 1 303.450 2.351 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(=C)C ZINC001171308878 791561478 /nfs/dbraw/zinc/56/14/78/791561478.db2.gz YNDFAKUTFOQPRD-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC(=C)C ZINC001171308878 791561486 /nfs/dbraw/zinc/56/14/86/791561486.db2.gz YNDFAKUTFOQPRD-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956550 791864143 /nfs/dbraw/zinc/86/41/43/791864143.db2.gz PWQCXDAMTZQHAH-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098944852 791994314 /nfs/dbraw/zinc/99/43/14/791994314.db2.gz NROBGYHUADDOOO-YJBOKZPZSA-N 2 1 310.401 2.105 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099027680 792044270 /nfs/dbraw/zinc/04/42/70/792044270.db2.gz PPAFSHYZWDFIKH-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099027680 792044274 /nfs/dbraw/zinc/04/42/74/792044274.db2.gz PPAFSHYZWDFIKH-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099027680 792044287 /nfs/dbraw/zinc/04/42/87/792044287.db2.gz PPAFSHYZWDFIKH-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521749 792230648 /nfs/dbraw/zinc/23/06/48/792230648.db2.gz SRIFHSXJSVPXLO-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099536274 792233383 /nfs/dbraw/zinc/23/33/83/792233383.db2.gz KVKZYJXCBOGAMG-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539141 792234812 /nfs/dbraw/zinc/23/48/12/792234812.db2.gz ZJIIKLWMTNWINW-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720313 792810854 /nfs/dbraw/zinc/81/08/54/792810854.db2.gz NZDYRALEJOKTQL-UHFFFAOYSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729637 792816078 /nfs/dbraw/zinc/81/60/78/792816078.db2.gz HGZMLBBITFEZEB-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412894 792906865 /nfs/dbraw/zinc/90/68/65/792906865.db2.gz OXTWOGXSLDRFFT-ZHALLVOQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412894 792906875 /nfs/dbraw/zinc/90/68/75/792906875.db2.gz OXTWOGXSLDRFFT-ZHALLVOQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412894 792906883 /nfs/dbraw/zinc/90/68/83/792906883.db2.gz OXTWOGXSLDRFFT-ZHALLVOQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478592 793175460 /nfs/dbraw/zinc/17/54/60/793175460.db2.gz VYHZBURUUPXLSH-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478592 793175469 /nfs/dbraw/zinc/17/54/69/793175469.db2.gz VYHZBURUUPXLSH-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478592 793175473 /nfs/dbraw/zinc/17/54/73/793175473.db2.gz VYHZBURUUPXLSH-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001101597691 793259713 /nfs/dbraw/zinc/25/97/13/793259713.db2.gz XDGRTYCXKUKILH-UHFFFAOYSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071291 793493933 /nfs/dbraw/zinc/49/39/33/793493933.db2.gz JBMCELBIAXZDNI-ZACQAIPSSA-N 2 1 309.498 2.223 20 30 DEEDMP CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970371 793547311 /nfs/dbraw/zinc/54/73/11/793547311.db2.gz FRJIKUXSUWGNEV-CABCVRRESA-N 2 1 324.469 2.339 20 30 DEEDMP C[NH+](C)CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980864 793549827 /nfs/dbraw/zinc/54/98/27/793549827.db2.gz QJWJMDAGFVFMOX-GJZGRUSLSA-N 2 1 324.469 2.162 20 30 DEEDMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980864 793549833 /nfs/dbraw/zinc/54/98/33/793549833.db2.gz QJWJMDAGFVFMOX-GJZGRUSLSA-N 2 1 324.469 2.162 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271392 794175060 /nfs/dbraw/zinc/17/50/60/794175060.db2.gz AXKLLINUOAOQQQ-INIZCTEOSA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104000072 794341570 /nfs/dbraw/zinc/34/15/70/794341570.db2.gz UZKUBTZAHQDNGM-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176278943 794388926 /nfs/dbraw/zinc/38/89/26/794388926.db2.gz KTQQTZTXAPWPCT-AWEZNQCLSA-N 2 1 303.878 2.345 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858193 794503799 /nfs/dbraw/zinc/50/37/99/794503799.db2.gz STKNHBMVKVRLJS-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266433 794629286 /nfs/dbraw/zinc/62/92/86/794629286.db2.gz HMCIMJBCANNIRJ-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344625 794644039 /nfs/dbraw/zinc/64/40/39/794644039.db2.gz NFNQHCNJVNFQTA-UHFFFAOYSA-N 2 1 303.450 2.181 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344625 794644044 /nfs/dbraw/zinc/64/40/44/794644044.db2.gz NFNQHCNJVNFQTA-UHFFFAOYSA-N 2 1 303.450 2.181 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115293040 794724564 /nfs/dbraw/zinc/72/45/64/794724564.db2.gz ZSAAPBGWJSGVRF-VXNCWWDNSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115579558 794828674 /nfs/dbraw/zinc/82/86/74/794828674.db2.gz UKAPIZWGWLMGOB-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596598 794833611 /nfs/dbraw/zinc/83/36/11/794833611.db2.gz OAPLQQDICKIWMK-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178633826 794961718 /nfs/dbraw/zinc/96/17/18/794961718.db2.gz GUXZNNXBMGRTKV-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179587372 795139074 /nfs/dbraw/zinc/13/90/74/795139074.db2.gz ZWTONARKHCMFRM-UKRRQHHQSA-N 2 1 315.889 2.203 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)Cc1ccccc1 ZINC001181141497 795429312 /nfs/dbraw/zinc/42/93/12/795429312.db2.gz QCUDDZAHJMIKLR-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439487 795459396 /nfs/dbraw/zinc/45/93/96/795459396.db2.gz HBBISEIFFLMBHV-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440641 795461178 /nfs/dbraw/zinc/46/11/78/795461178.db2.gz QHSZUOBGJHISEJ-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450045 795463031 /nfs/dbraw/zinc/46/30/31/795463031.db2.gz RSZDQAXPTZRWED-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450045 795463038 /nfs/dbraw/zinc/46/30/38/795463038.db2.gz RSZDQAXPTZRWED-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450045 795463042 /nfs/dbraw/zinc/46/30/42/795463042.db2.gz RSZDQAXPTZRWED-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183228307 795828155 /nfs/dbraw/zinc/82/81/55/795828155.db2.gz GEIYJZQXGMBNTQ-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185549642 796280477 /nfs/dbraw/zinc/28/04/77/796280477.db2.gz QTLCDHDAYPPEHT-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185547507 796289715 /nfs/dbraw/zinc/28/97/15/796289715.db2.gz IGJGIFKIAPAEFJ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203283625 796806117 /nfs/dbraw/zinc/80/61/17/796806117.db2.gz ULVCTKGAFNVQRX-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675777 797056365 /nfs/dbraw/zinc/05/63/65/797056365.db2.gz WSPWGVCUEJVNEF-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675777 797056372 /nfs/dbraw/zinc/05/63/72/797056372.db2.gz WSPWGVCUEJVNEF-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543453 797220180 /nfs/dbraw/zinc/22/01/80/797220180.db2.gz MVLOPANNDOUXPN-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507265 797222206 /nfs/dbraw/zinc/22/22/06/797222206.db2.gz JTWSIELCYMLMKP-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677672 797374805 /nfs/dbraw/zinc/37/48/05/797374805.db2.gz MTMDNKXSFOOVTP-CQSZACIVSA-N 2 1 321.490 2.273 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153823871 797405009 /nfs/dbraw/zinc/40/50/09/797405009.db2.gz BSIIVAHPJDWMJZ-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153823871 797405013 /nfs/dbraw/zinc/40/50/13/797405013.db2.gz BSIIVAHPJDWMJZ-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001154083035 797457849 /nfs/dbraw/zinc/45/78/49/797457849.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 1 318.465 2.226 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001154083035 797457851 /nfs/dbraw/zinc/45/78/51/797457851.db2.gz CWUWPFWHDKLCFG-HIFRSBDPSA-N 2 1 318.465 2.226 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193499692 797575877 /nfs/dbraw/zinc/57/58/77/797575877.db2.gz KXLIINVKSDICCG-OAHLLOKOSA-N 2 1 316.449 2.260 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194273904 797696479 /nfs/dbraw/zinc/69/64/79/797696479.db2.gz BSZQTQBPECGPTQ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227990 797696494 /nfs/dbraw/zinc/69/64/94/797696494.db2.gz OVQQKGHSYBGDCC-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194430517 797731315 /nfs/dbraw/zinc/73/13/15/797731315.db2.gz VXRZYKOZEQCRLT-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630539 797810980 /nfs/dbraw/zinc/81/09/80/797810980.db2.gz APSKTOHJLAPZGC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630539 797810988 /nfs/dbraw/zinc/81/09/88/797810988.db2.gz APSKTOHJLAPZGC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086374 798141245 /nfs/dbraw/zinc/14/12/45/798141245.db2.gz QXANIYMVUNCZSQ-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454649 798196017 /nfs/dbraw/zinc/19/60/17/798196017.db2.gz UAEXBDPXZHBPJP-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454649 798196018 /nfs/dbraw/zinc/19/60/18/798196018.db2.gz UAEXBDPXZHBPJP-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702427 798262121 /nfs/dbraw/zinc/26/21/21/798262121.db2.gz SQHIXLNGSPZLSR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702427 798262124 /nfs/dbraw/zinc/26/21/24/798262124.db2.gz SQHIXLNGSPZLSR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702427 798262130 /nfs/dbraw/zinc/26/21/30/798262130.db2.gz SQHIXLNGSPZLSR-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nccn21 ZINC001158061944 798334842 /nfs/dbraw/zinc/33/48/42/798334842.db2.gz WUYLLCMNUMHEQF-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158061944 798334847 /nfs/dbraw/zinc/33/48/47/798334847.db2.gz WUYLLCMNUMHEQF-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872175 798482752 /nfs/dbraw/zinc/48/27/52/798482752.db2.gz FTBZRMRWUIHVFV-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872175 798482756 /nfs/dbraw/zinc/48/27/56/798482756.db2.gz FTBZRMRWUIHVFV-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c12 ZINC001160745299 798734825 /nfs/dbraw/zinc/73/48/25/798734825.db2.gz VUTYNIQLTODSLA-NXEZZACHSA-N 2 1 309.295 2.387 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160787501 798740573 /nfs/dbraw/zinc/74/05/73/798740573.db2.gz PGLHDGJWDIPPJM-GOSISDBHSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161645912 798902688 /nfs/dbraw/zinc/90/26/88/798902688.db2.gz SUAOLXUSJDZQOO-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645912 798902691 /nfs/dbraw/zinc/90/26/91/798902691.db2.gz SUAOLXUSJDZQOO-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645912 798902697 /nfs/dbraw/zinc/90/26/97/798902697.db2.gz SUAOLXUSJDZQOO-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645912 798902703 /nfs/dbraw/zinc/90/27/03/798902703.db2.gz SUAOLXUSJDZQOO-UHFFFAOYSA-N 2 1 313.873 2.219 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095532951 799650685 /nfs/dbraw/zinc/65/06/85/799650685.db2.gz WNAJWHUKQOZWRX-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095532951 799650689 /nfs/dbraw/zinc/65/06/89/799650689.db2.gz WNAJWHUKQOZWRX-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095532951 799650694 /nfs/dbraw/zinc/65/06/94/799650694.db2.gz WNAJWHUKQOZWRX-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271814 799692034 /nfs/dbraw/zinc/69/20/34/799692034.db2.gz OCVNNNWEBJOTHU-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095695243 799697668 /nfs/dbraw/zinc/69/76/68/799697668.db2.gz PGEWJAFYRYCJEF-PVAVHDDUSA-N 2 1 310.401 2.246 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C12CCC2 ZINC001203427027 800046100 /nfs/dbraw/zinc/04/61/00/800046100.db2.gz SDMPQNXLRDACMP-HOTGVXAUSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730721 800112786 /nfs/dbraw/zinc/11/27/86/800112786.db2.gz MCXWRBLSTJHFTR-CVEARBPZSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334503 800345261 /nfs/dbraw/zinc/34/52/61/800345261.db2.gz OXUPZLRVNHAMDC-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206482592 800541234 /nfs/dbraw/zinc/54/12/34/800541234.db2.gz VMKQWBXQLRTQJH-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073431 800907054 /nfs/dbraw/zinc/90/70/54/800907054.db2.gz JPPOQODRLHWDCM-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334750 800957640 /nfs/dbraw/zinc/95/76/40/800957640.db2.gz LXHSAIPXKMWMPI-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758600 801064871 /nfs/dbraw/zinc/06/48/71/801064871.db2.gz LWIXCCROERBGDL-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH]cnc32)CC1 ZINC001229138581 801228763 /nfs/dbraw/zinc/22/87/63/801228763.db2.gz BJRCKSDTMRTVPR-OAHLLOKOSA-N 2 1 316.449 2.376 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001229186526 801238621 /nfs/dbraw/zinc/23/86/21/801238621.db2.gz XMIFWLLCZJXZMM-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230611661 801436913 /nfs/dbraw/zinc/43/69/13/801436913.db2.gz XFIPMPAIEXYAQR-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211072660 801508551 /nfs/dbraw/zinc/50/85/51/801508551.db2.gz UPOXUMKSIWTPSO-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215226037 801823660 /nfs/dbraw/zinc/82/36/60/801823660.db2.gz DEDCAJGXYXHMRU-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730848 802607721 /nfs/dbraw/zinc/60/77/21/802607721.db2.gz VKRMFEMJCDTLCB-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001222897747 802748386 /nfs/dbraw/zinc/74/83/86/802748386.db2.gz MJLLYDULORVSAA-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897747 802748391 /nfs/dbraw/zinc/74/83/91/802748391.db2.gz MJLLYDULORVSAA-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001222897747 802748394 /nfs/dbraw/zinc/74/83/94/802748394.db2.gz MJLLYDULORVSAA-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224141042 802840115 /nfs/dbraw/zinc/84/01/15/802840115.db2.gz VIDZLVMMUSFMBT-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001224141042 802840118 /nfs/dbraw/zinc/84/01/18/802840118.db2.gz VIDZLVMMUSFMBT-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045727 1149367672 /nfs/dbraw/zinc/36/76/72/1149367672.db2.gz SZOFJLKBKCEDGQ-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045727 1149367678 /nfs/dbraw/zinc/36/76/78/1149367678.db2.gz SZOFJLKBKCEDGQ-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001328782207 1148834607 /nfs/dbraw/zinc/83/46/07/1148834607.db2.gz XTDSRQFTHODWSO-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462299842 1058796848 /nfs/dbraw/zinc/79/68/48/1058796848.db2.gz YBPZFNLYRZVLHB-JFIYKMOQSA-N 2 1 306.450 2.043 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)OCC)C1 ZINC001462299842 1058796867 /nfs/dbraw/zinc/79/68/67/1058796867.db2.gz YBPZFNLYRZVLHB-JFIYKMOQSA-N 2 1 306.450 2.043 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001501719964 1059663393 /nfs/dbraw/zinc/66/33/93/1059663393.db2.gz AMCCWSZUYROANF-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001501718921 1059664537 /nfs/dbraw/zinc/66/45/37/1059664537.db2.gz VWJHSGFKGAKSMO-QAQDUYKDSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001467728789 1059692870 /nfs/dbraw/zinc/69/28/70/1059692870.db2.gz QEWRLTSBGUYADK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001467728789 1059692881 /nfs/dbraw/zinc/69/28/81/1059692881.db2.gz QEWRLTSBGUYADK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001467728789 1059692888 /nfs/dbraw/zinc/69/28/88/1059692888.db2.gz QEWRLTSBGUYADK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001502831799 1060337999 /nfs/dbraw/zinc/33/79/99/1060337999.db2.gz FFQSIJVLQSKGDR-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001505775483 1060954961 /nfs/dbraw/zinc/95/49/61/1060954961.db2.gz YHMLJDZZZQEPDL-JCYILVPMSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001479302039 1061376912 /nfs/dbraw/zinc/37/69/12/1061376912.db2.gz GWBIWXAXSMWGLG-YVSFHVDLSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001479314822 1061390065 /nfs/dbraw/zinc/39/00/65/1061390065.db2.gz VYVDMSFXLCAGMY-NCOADZHNSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479828290 1061851933 /nfs/dbraw/zinc/85/19/33/1061851933.db2.gz YFFDAZKDJUKSIU-CVEARBPZSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480085097 1062299299 /nfs/dbraw/zinc/29/92/99/1062299299.db2.gz PCIQDBAEFPQHOM-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088547 1062306482 /nfs/dbraw/zinc/30/64/82/1062306482.db2.gz JDNDXVNRAGAPAC-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480088547 1062306504 /nfs/dbraw/zinc/30/65/04/1062306504.db2.gz JDNDXVNRAGAPAC-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480088547 1062306525 /nfs/dbraw/zinc/30/65/25/1062306525.db2.gz JDNDXVNRAGAPAC-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001506865421 1062449237 /nfs/dbraw/zinc/44/92/37/1062449237.db2.gz KVZNKLYYGBFHNS-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480267767 1062567581 /nfs/dbraw/zinc/56/75/81/1062567581.db2.gz REBKMJDCYQZLBZ-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480362791 1062714757 /nfs/dbraw/zinc/71/47/57/1062714757.db2.gz MVQJVZPMOKJDAM-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480368518 1062724480 /nfs/dbraw/zinc/72/44/80/1062724480.db2.gz ZEWBRNUWXLCFLP-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480724649 1063250231 /nfs/dbraw/zinc/25/02/31/1063250231.db2.gz KVNZTGVNNVTHCC-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001493006871 1063473047 /nfs/dbraw/zinc/47/30/47/1063473047.db2.gz VZSDEPPLEVFMCO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493006871 1063473054 /nfs/dbraw/zinc/47/30/54/1063473054.db2.gz VZSDEPPLEVFMCO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001493006871 1063473059 /nfs/dbraw/zinc/47/30/59/1063473059.db2.gz VZSDEPPLEVFMCO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962464 1063479592 /nfs/dbraw/zinc/47/95/92/1063479592.db2.gz UZXBQOOQMVGRFS-DLBZAZTESA-N 2 1 321.509 2.251 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962464 1063479605 /nfs/dbraw/zinc/47/96/05/1063479605.db2.gz UZXBQOOQMVGRFS-DLBZAZTESA-N 2 1 321.509 2.251 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493957292 1064040282 /nfs/dbraw/zinc/04/02/82/1064040282.db2.gz SWPAZFPQIIBWHR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001493957292 1064040287 /nfs/dbraw/zinc/04/02/87/1064040287.db2.gz SWPAZFPQIIBWHR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001493957292 1064040290 /nfs/dbraw/zinc/04/02/90/1064040290.db2.gz SWPAZFPQIIBWHR-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660105 1064326601 /nfs/dbraw/zinc/32/66/01/1064326601.db2.gz SYXORBPJIYUMGD-SJORKVTESA-N 2 1 301.434 2.104 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001567666128 1064327161 /nfs/dbraw/zinc/32/71/61/1064327161.db2.gz SOLKKBXECMTPHH-QZTJIDSGSA-N 2 1 315.461 2.351 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699479 1064355771 /nfs/dbraw/zinc/35/57/71/1064355771.db2.gz LXSBOLCDABOJGI-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701232 1064358309 /nfs/dbraw/zinc/35/83/09/1064358309.db2.gz FINCYHYEJADSCL-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001567742519 1064396609 /nfs/dbraw/zinc/39/66/09/1064396609.db2.gz SWCXXSPMILRGJQ-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001610977596 1078093328 /nfs/dbraw/zinc/09/33/28/1078093328.db2.gz GJIXMYASDJRPLX-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001495051034 1064665422 /nfs/dbraw/zinc/66/54/22/1064665422.db2.gz PGTMYBIUXVCGSQ-HOTGVXAUSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001568493367 1064907780 /nfs/dbraw/zinc/90/77/80/1064907780.db2.gz QYFUKKTZEDFBJP-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568493367 1064907790 /nfs/dbraw/zinc/90/77/90/1064907790.db2.gz QYFUKKTZEDFBJP-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493367 1064907803 /nfs/dbraw/zinc/90/78/03/1064907803.db2.gz QYFUKKTZEDFBJP-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001495581395 1064991158 /nfs/dbraw/zinc/99/11/58/1064991158.db2.gz OWBVIRQBDHFFIW-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001569209788 1065367583 /nfs/dbraw/zinc/36/75/83/1065367583.db2.gz JWRVGYGUNVXYFA-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001496917551 1065805351 /nfs/dbraw/zinc/80/53/51/1065805351.db2.gz MLCBOEOVTOMEFC-CVEARBPZSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001569920498 1065823095 /nfs/dbraw/zinc/82/30/95/1065823095.db2.gz QXTREOWRIUUURN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001570348359 1066024991 /nfs/dbraw/zinc/02/49/91/1066024991.db2.gz DEDCAJGXYXHMRU-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001570385045 1066042187 /nfs/dbraw/zinc/04/21/87/1066042187.db2.gz XAPIHZYBWIHOQR-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001632827269 1078392056 /nfs/dbraw/zinc/39/20/56/1078392056.db2.gz VMICTVKHAZQITK-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001499094990 1067089462 /nfs/dbraw/zinc/08/94/62/1067089462.db2.gz HPCMTNPTADTJPB-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H](C)C1 ZINC001499835050 1067354068 /nfs/dbraw/zinc/35/40/68/1067354068.db2.gz LOINPVQEVAFUIQ-GJZGRUSLSA-N 2 1 304.438 2.278 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001571022041 1068173914 /nfs/dbraw/zinc/17/39/14/1068173914.db2.gz LEEGZUUBKPJDNM-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001267254115 1078699778 /nfs/dbraw/zinc/69/97/78/1078699778.db2.gz DKJZKELXSYKRJC-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001267254115 1078699784 /nfs/dbraw/zinc/69/97/84/1078699784.db2.gz DKJZKELXSYKRJC-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001267254115 1078699788 /nfs/dbraw/zinc/69/97/88/1078699788.db2.gz DKJZKELXSYKRJC-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001571616096 1068442057 /nfs/dbraw/zinc/44/20/57/1068442057.db2.gz QIUKBHMKBKJNNC-UHFFFAOYSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CN(C)Cc2ccccc2)C1 ZINC001267308969 1078754697 /nfs/dbraw/zinc/75/46/97/1078754697.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267308969 1078754702 /nfs/dbraw/zinc/75/47/02/1078754702.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267308969 1078754708 /nfs/dbraw/zinc/75/47/08/1078754708.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308969 1078754712 /nfs/dbraw/zinc/75/47/12/1078754712.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308969 1078754718 /nfs/dbraw/zinc/75/47/18/1078754718.db2.gz IEVYPRHMIKFXDS-GOSISDBHSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267328193 1078768201 /nfs/dbraw/zinc/76/82/01/1078768201.db2.gz NEPLWDWWDSPTCB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267328193 1078768202 /nfs/dbraw/zinc/76/82/02/1078768202.db2.gz NEPLWDWWDSPTCB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001267328193 1078768209 /nfs/dbraw/zinc/76/82/09/1078768209.db2.gz NEPLWDWWDSPTCB-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267317797 1078761067 /nfs/dbraw/zinc/76/10/67/1078761067.db2.gz ANQGTEWMLLYOEN-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267317797 1078761072 /nfs/dbraw/zinc/76/10/72/1078761072.db2.gz ANQGTEWMLLYOEN-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267317797 1078761076 /nfs/dbraw/zinc/76/10/76/1078761076.db2.gz ANQGTEWMLLYOEN-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483672681 1078771212 /nfs/dbraw/zinc/77/12/12/1078771212.db2.gz WOMAOYZEGHZJTM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001483672681 1078771215 /nfs/dbraw/zinc/77/12/15/1078771215.db2.gz WOMAOYZEGHZJTM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001483672681 1078771220 /nfs/dbraw/zinc/77/12/20/1078771220.db2.gz WOMAOYZEGHZJTM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001329256515 1148878532 /nfs/dbraw/zinc/87/85/32/1148878532.db2.gz HVKAUSHPRRPQBF-UHFFFAOYSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705818 1078831244 /nfs/dbraw/zinc/83/12/44/1078831244.db2.gz JIRHOIUUPVMUAC-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001574872060 1069283297 /nfs/dbraw/zinc/28/32/97/1069283297.db2.gz CRFQYACPKIEGKT-SOLBZPMBSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[C@@]1(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CCC[NH2+]1 ZINC001574892340 1069288260 /nfs/dbraw/zinc/28/82/60/1069288260.db2.gz AAWDUOYBWYNLCK-SFHVURJKSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267548166 1078979217 /nfs/dbraw/zinc/97/92/17/1078979217.db2.gz ZQCRVRUOVHWOHO-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267548166 1078979221 /nfs/dbraw/zinc/97/92/21/1078979221.db2.gz ZQCRVRUOVHWOHO-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576592 1079060764 /nfs/dbraw/zinc/06/07/64/1079060764.db2.gz UEJHKCMKRPLCTL-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576592 1079060772 /nfs/dbraw/zinc/06/07/72/1079060772.db2.gz UEJHKCMKRPLCTL-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001483817520 1079131571 /nfs/dbraw/zinc/13/15/71/1079131571.db2.gz PDRFLXGMOXKCNK-MRXNPFEDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001483832696 1079142880 /nfs/dbraw/zinc/14/28/80/1079142880.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483832696 1079142883 /nfs/dbraw/zinc/14/28/83/1079142883.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001483832696 1079142887 /nfs/dbraw/zinc/14/28/87/1079142887.db2.gz MQUCBTUAHLCYOO-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001267602776 1079146854 /nfs/dbraw/zinc/14/68/54/1079146854.db2.gz GPHUIZXJGJFIJS-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483847626 1079148752 /nfs/dbraw/zinc/14/87/52/1079148752.db2.gz ITOUIIMFEWSIHJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483848580 1079150163 /nfs/dbraw/zinc/15/01/63/1079150163.db2.gz UOKHAYJBRKPDCK-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP C#CCC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001481099751 1079182461 /nfs/dbraw/zinc/18/24/61/1079182461.db2.gz SDPQHGFYOHRBKT-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481099751 1079182464 /nfs/dbraw/zinc/18/24/64/1079182464.db2.gz SDPQHGFYOHRBKT-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481099751 1079182466 /nfs/dbraw/zinc/18/24/66/1079182466.db2.gz SDPQHGFYOHRBKT-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001496300098 1079245661 /nfs/dbraw/zinc/24/56/61/1079245661.db2.gz IVYAMDNGLXZAER-IAGOWNOFSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)CCC)C2 ZINC001484022779 1079248639 /nfs/dbraw/zinc/24/86/39/1079248639.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484022779 1079248648 /nfs/dbraw/zinc/24/86/48/1079248648.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484022779 1079248655 /nfs/dbraw/zinc/24/86/55/1079248655.db2.gz OSGBCJOLEDJYFP-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001565771230 1075186816 /nfs/dbraw/zinc/18/68/16/1075186816.db2.gz HYAQOLHCUZLRKA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267688475 1079375636 /nfs/dbraw/zinc/37/56/36/1079375636.db2.gz LOXGRUWVJUSPPI-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942705 1075209057 /nfs/dbraw/zinc/20/90/57/1075209057.db2.gz DKHPPYNCNBJXOC-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001566109996 1075230874 /nfs/dbraw/zinc/23/08/74/1075230874.db2.gz YRXBMCSZSCMHFB-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001566109996 1075230871 /nfs/dbraw/zinc/23/08/71/1075230871.db2.gz YRXBMCSZSCMHFB-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001566674521 1075313585 /nfs/dbraw/zinc/31/35/85/1075313585.db2.gz SZVGTAMXRXZALJ-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001566674521 1075313588 /nfs/dbraw/zinc/31/35/88/1075313588.db2.gz SZVGTAMXRXZALJ-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001566674521 1075313590 /nfs/dbraw/zinc/31/35/90/1075313590.db2.gz SZVGTAMXRXZALJ-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001566711790 1075324089 /nfs/dbraw/zinc/32/40/89/1075324089.db2.gz VEVKADNKNLIMLW-ROUUACIJSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001566972904 1075406009 /nfs/dbraw/zinc/40/60/09/1075406009.db2.gz WADFBHTXBUSADV-BCDMZGRMSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001566972904 1075406011 /nfs/dbraw/zinc/40/60/11/1075406011.db2.gz WADFBHTXBUSADV-BCDMZGRMSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001566972904 1075406014 /nfs/dbraw/zinc/40/60/14/1075406014.db2.gz WADFBHTXBUSADV-BCDMZGRMSA-N 2 1 319.493 2.262 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567171704 1075452215 /nfs/dbraw/zinc/45/22/15/1075452215.db2.gz HNVWDGUIDDWKOT-SJORKVTESA-N 2 1 316.449 2.012 20 30 DEEDMP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CCC)CCCC[C@H]1C ZINC001267873796 1079560405 /nfs/dbraw/zinc/56/04/05/1079560405.db2.gz LTOHRASKNJOXHX-AEFFLSMTSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCC1 ZINC001267989741 1079671253 /nfs/dbraw/zinc/67/12/53/1079671253.db2.gz NVQBDVNVKHBMPI-AEFFLSMTSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCC1 ZINC001267989741 1079671260 /nfs/dbraw/zinc/67/12/60/1079671260.db2.gz NVQBDVNVKHBMPI-AEFFLSMTSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484718379 1079743792 /nfs/dbraw/zinc/74/37/92/1079743792.db2.gz PDKWBOAUOAQSIL-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001484718379 1079743797 /nfs/dbraw/zinc/74/37/97/1079743797.db2.gz PDKWBOAUOAQSIL-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001484771963 1079787533 /nfs/dbraw/zinc/78/75/33/1079787533.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771963 1079787538 /nfs/dbraw/zinc/78/75/38/1079787538.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771963 1079787545 /nfs/dbraw/zinc/78/75/45/1079787545.db2.gz JDFKJSUOKKWKDQ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485037298 1079932266 /nfs/dbraw/zinc/93/22/66/1079932266.db2.gz NAQSGMUQEHXOPA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001481487939 1079945849 /nfs/dbraw/zinc/94/58/49/1079945849.db2.gz MDBHXCSWKZDPJR-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481487939 1079945855 /nfs/dbraw/zinc/94/58/55/1079945855.db2.gz MDBHXCSWKZDPJR-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481487939 1079945864 /nfs/dbraw/zinc/94/58/64/1079945864.db2.gz MDBHXCSWKZDPJR-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001268124221 1080091569 /nfs/dbraw/zinc/09/15/69/1080091569.db2.gz RROXTUPRFWXZQI-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001656547239 1080101659 /nfs/dbraw/zinc/10/16/59/1080101659.db2.gz XOHZFSKMYKMJJT-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268154792 1080128576 /nfs/dbraw/zinc/12/85/76/1080128576.db2.gz DMZFMKNHGRRRRY-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001656888917 1080135200 /nfs/dbraw/zinc/13/52/00/1080135200.db2.gz AUFYMXGQZKXZIY-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001268181450 1080171245 /nfs/dbraw/zinc/17/12/45/1080171245.db2.gz XSQHEQUGONSINH-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001485437658 1080207132 /nfs/dbraw/zinc/20/71/32/1080207132.db2.gz JKFXOVUDMNJGTP-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001268226550 1080208171 /nfs/dbraw/zinc/20/81/71/1080208171.db2.gz BJZXZTHTVCZUSN-QZTJIDSGSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001481669451 1080277730 /nfs/dbraw/zinc/27/77/30/1080277730.db2.gz MWKIVPYGCOZXPU-SFHVURJKSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570369 1080303030 /nfs/dbraw/zinc/30/30/30/1080303030.db2.gz BUMXYWRYAVDVAU-LSDHHAIUSA-N 2 1 313.461 2.069 20 30 DEEDMP CC#CC[NH+](C)CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001660365204 1080317836 /nfs/dbraw/zinc/31/78/36/1080317836.db2.gz SMAYQXROWMGCPK-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001660365204 1080317841 /nfs/dbraw/zinc/31/78/41/1080317841.db2.gz SMAYQXROWMGCPK-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP CC#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001660365204 1080317844 /nfs/dbraw/zinc/31/78/44/1080317844.db2.gz SMAYQXROWMGCPK-GOSISDBHSA-N 2 1 315.461 2.141 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001662116940 1080570976 /nfs/dbraw/zinc/57/09/76/1080570976.db2.gz HAGKVDCMFGGLSO-ABHNRTSZSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001662675919 1080631967 /nfs/dbraw/zinc/63/19/67/1080631967.db2.gz UXQKTMPZUOKZED-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868079 1080670207 /nfs/dbraw/zinc/67/02/07/1080670207.db2.gz QMHWMNLFJJSGGA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663423475 1080746383 /nfs/dbraw/zinc/74/63/83/1080746383.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663423475 1080746388 /nfs/dbraw/zinc/74/63/88/1080746388.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663423475 1080746396 /nfs/dbraw/zinc/74/63/96/1080746396.db2.gz TWTTWOIBKOVEFO-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001663683692 1080802488 /nfs/dbraw/zinc/80/24/88/1080802488.db2.gz BNIJDUNLDKIKFD-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001663683692 1080802493 /nfs/dbraw/zinc/80/24/93/1080802493.db2.gz BNIJDUNLDKIKFD-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599521 1080932239 /nfs/dbraw/zinc/93/22/39/1080932239.db2.gz SHEMCDWOYPDXOW-SJLPKXTDSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760044 1080957567 /nfs/dbraw/zinc/95/75/67/1080957567.db2.gz KIUHABHXFJUYGL-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001665019388 1080983781 /nfs/dbraw/zinc/98/37/81/1080983781.db2.gz SGUBTFPWKALVFG-HUUCEWRRSA-N 2 1 304.438 2.135 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001269085656 1081110861 /nfs/dbraw/zinc/11/08/61/1081110861.db2.gz WSHHBBZDICENGQ-QGZVFWFLSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCC)C1 ZINC001269741830 1081351909 /nfs/dbraw/zinc/35/19/09/1081351909.db2.gz PXWJPHHBBBOWDK-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCC)C1 ZINC001269741830 1081351915 /nfs/dbraw/zinc/35/19/15/1081351915.db2.gz PXWJPHHBBBOWDK-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CN1CC(N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950500668 1081354601 /nfs/dbraw/zinc/35/46/01/1081354601.db2.gz HZEBDAZCYKTVJG-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCC)CC1 ZINC001269991137 1081420181 /nfs/dbraw/zinc/42/01/81/1081420181.db2.gz IESYUYLKOGJASQ-BZSNNMDCSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCC)CC1 ZINC001269991137 1081420183 /nfs/dbraw/zinc/42/01/83/1081420183.db2.gz IESYUYLKOGJASQ-BZSNNMDCSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001270050918 1081438718 /nfs/dbraw/zinc/43/87/18/1081438718.db2.gz RKBRWAUDYLLUGE-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403795 1081519781 /nfs/dbraw/zinc/51/97/81/1081519781.db2.gz MIHMATNYLYLWMO-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001671542790 1081522961 /nfs/dbraw/zinc/52/29/61/1081522961.db2.gz XBCYQOMQCNFNTD-QZTJIDSGSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001671842847 1081542467 /nfs/dbraw/zinc/54/24/67/1081542467.db2.gz PNXHOBJHCIAZCR-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628425 1081546180 /nfs/dbraw/zinc/54/61/80/1081546180.db2.gz QQPVXSAOHJIZSB-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628425 1081546184 /nfs/dbraw/zinc/54/61/84/1081546184.db2.gz QQPVXSAOHJIZSB-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001673639242 1081787766 /nfs/dbraw/zinc/78/77/66/1081787766.db2.gz FVRLIIMVRWNHBS-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001673639242 1081787771 /nfs/dbraw/zinc/78/77/71/1081787771.db2.gz FVRLIIMVRWNHBS-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001673639242 1081787778 /nfs/dbraw/zinc/78/77/78/1081787778.db2.gz FVRLIIMVRWNHBS-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001271128416 1081926864 /nfs/dbraw/zinc/92/68/64/1081926864.db2.gz BRBOEQWVSTWHQB-HNNXBMFYSA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482495088 1082120908 /nfs/dbraw/zinc/12/09/08/1082120908.db2.gz PWFZVAVCHNGBOA-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024566 1082291798 /nfs/dbraw/zinc/29/17/98/1082291798.db2.gz QBFOZODDWXTGHR-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024566 1082291801 /nfs/dbraw/zinc/29/18/01/1082291801.db2.gz QBFOZODDWXTGHR-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266749909 1082318809 /nfs/dbraw/zinc/31/88/09/1082318809.db2.gz OGRYLSXILWSQHE-WMZOPIPTSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001266909288 1082447348 /nfs/dbraw/zinc/44/73/48/1082447348.db2.gz LQTMHLJBFCWEBF-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266911993 1082449172 /nfs/dbraw/zinc/44/91/72/1082449172.db2.gz QPBNFNBLEZYPEJ-JCYILVPMSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC1CCCC1 ZINC001483136167 1082769206 /nfs/dbraw/zinc/76/92/06/1082769206.db2.gz HUMHLAURXOBVCN-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC1CCCC1 ZINC001483136167 1082769212 /nfs/dbraw/zinc/76/92/12/1082769212.db2.gz HUMHLAURXOBVCN-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582793 1083493554 /nfs/dbraw/zinc/49/35/54/1083493554.db2.gz WBZHVDVRQVBHHC-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276885047 1083663184 /nfs/dbraw/zinc/66/31/84/1083663184.db2.gz BNEAKMGSIZRJQP-QFBILLFUSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C ZINC001277211792 1083851006 /nfs/dbraw/zinc/85/10/06/1083851006.db2.gz ZSZHFAAJVXWCKT-SJORKVTESA-N 2 1 321.509 2.395 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C ZINC001277211792 1083851015 /nfs/dbraw/zinc/85/10/15/1083851015.db2.gz ZSZHFAAJVXWCKT-SJORKVTESA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001277346930 1083918984 /nfs/dbraw/zinc/91/89/84/1083918984.db2.gz ZFQPTMMEWAQYAS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001277346930 1083918992 /nfs/dbraw/zinc/91/89/92/1083918992.db2.gz ZFQPTMMEWAQYAS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001277346930 1083919001 /nfs/dbraw/zinc/91/90/01/1083919001.db2.gz ZFQPTMMEWAQYAS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001272762616 1083958142 /nfs/dbraw/zinc/95/81/42/1083958142.db2.gz BCARNWVPWSCTAQ-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001491296695 1084216323 /nfs/dbraw/zinc/21/63/23/1084216323.db2.gz OOGQGMHTYUWCHR-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296695 1084216329 /nfs/dbraw/zinc/21/63/29/1084216329.db2.gz OOGQGMHTYUWCHR-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296695 1084216340 /nfs/dbraw/zinc/21/63/40/1084216340.db2.gz OOGQGMHTYUWCHR-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCCCCC[N@@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235340237 1084399190 /nfs/dbraw/zinc/39/91/90/1084399190.db2.gz ZSDQYDVUANRNAW-NTDBWNAOSA-N 2 1 320.477 2.453 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272887540 1084430298 /nfs/dbraw/zinc/43/02/98/1084430298.db2.gz GNBIAYRVLWJDNF-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000960255519 1085166478 /nfs/dbraw/zinc/16/64/78/1085166478.db2.gz PYBIPLCUSONTIN-FGTMMUONSA-N 2 1 313.445 2.029 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001486520242 1085402794 /nfs/dbraw/zinc/40/27/94/1085402794.db2.gz IVSQNRGLCBIPIR-WBVHZDCISA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001486520242 1085402796 /nfs/dbraw/zinc/40/27/96/1085402796.db2.gz IVSQNRGLCBIPIR-WBVHZDCISA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486520242 1085402798 /nfs/dbraw/zinc/40/27/98/1085402798.db2.gz IVSQNRGLCBIPIR-WBVHZDCISA-N 2 1 305.466 2.041 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961443855 1085735704 /nfs/dbraw/zinc/73/57/04/1085735704.db2.gz XJYZPVHGZOGKIE-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517606 1088370453 /nfs/dbraw/zinc/37/04/53/1088370453.db2.gz YMOJYGOGMADQQK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021587 1088564974 /nfs/dbraw/zinc/56/49/74/1088564974.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021587 1088564984 /nfs/dbraw/zinc/56/49/84/1088564984.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021587 1088564995 /nfs/dbraw/zinc/56/49/95/1088564995.db2.gz GTTAJJFDRAGOON-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014278 1090589988 /nfs/dbraw/zinc/58/99/88/1090589988.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014278 1090589990 /nfs/dbraw/zinc/58/99/90/1090589990.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]21 ZINC001085014278 1090589998 /nfs/dbraw/zinc/58/99/98/1090589998.db2.gz QRCLZWMVBMOZHR-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410394727 1090611725 /nfs/dbraw/zinc/61/17/25/1090611725.db2.gz XWNLVWLKXFZIFF-ZIAGYGMSSA-N 2 1 301.862 2.048 20 30 DEEDMP C=CCCCC[N@@H+]1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1 ZINC001274974656 1091496644 /nfs/dbraw/zinc/49/66/44/1091496644.db2.gz OMOZTAXVYDCWBY-GOSISDBHSA-N 2 1 309.498 2.071 20 30 DEEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001275290222 1091654628 /nfs/dbraw/zinc/65/46/28/1091654628.db2.gz ADPMBNYQVNXZJK-UHFFFAOYSA-N 2 1 312.461 2.018 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948771821 1091927952 /nfs/dbraw/zinc/92/79/52/1091927952.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948771821 1091927962 /nfs/dbraw/zinc/92/79/62/1091927962.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948771821 1091927966 /nfs/dbraw/zinc/92/79/66/1091927966.db2.gz QPOIHYKDTWFEPD-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001273577776 1091932337 /nfs/dbraw/zinc/93/23/37/1091932337.db2.gz DTVDQURBNZGCAO-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001275851837 1092229033 /nfs/dbraw/zinc/22/90/33/1092229033.db2.gz YNZZBIILJHUDPB-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001275851837 1092229046 /nfs/dbraw/zinc/22/90/46/1092229046.db2.gz YNZZBIILJHUDPB-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC(C)(C)C ZINC001275851837 1092229058 /nfs/dbraw/zinc/22/90/58/1092229058.db2.gz YNZZBIILJHUDPB-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001275851837 1092229073 /nfs/dbraw/zinc/22/90/73/1092229073.db2.gz YNZZBIILJHUDPB-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CCN(C)CC1 ZINC001273828132 1092230568 /nfs/dbraw/zinc/23/05/68/1092230568.db2.gz ZSPHWWIFCCORGI-SFHVURJKSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001488699174 1092688628 /nfs/dbraw/zinc/68/86/28/1092688628.db2.gz OEPOIDNRIPXLKI-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001489057221 1092897286 /nfs/dbraw/zinc/89/72/86/1092897286.db2.gz LRFUDABBHQSOPZ-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490774305 1093521401 /nfs/dbraw/zinc/52/14/01/1093521401.db2.gz IATAQXIGPLRLIT-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CSc1nc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1C#N ZINC001236320554 1138351226 /nfs/dbraw/zinc/35/12/26/1138351226.db2.gz PZUFXAJZQISODG-OKILXGFUSA-N 2 1 302.447 2.107 20 30 DEEDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)CC3)c(F)c2)CC1 ZINC001236933456 1138460800 /nfs/dbraw/zinc/46/08/00/1138460800.db2.gz XZTRCDNYSGCJNL-UHFFFAOYSA-N 2 1 316.424 2.313 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105198 1138822837 /nfs/dbraw/zinc/82/28/37/1138822837.db2.gz QKPREFHOZDINLE-UHFFFAOYSA-N 2 1 324.428 2.477 20 30 DEEDMP Cc1[nH+]ccn1-c1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ncn1 ZINC001240338341 1139340905 /nfs/dbraw/zinc/34/09/05/1139340905.db2.gz QRFJCBGYTXUSIE-UHFFFAOYSA-N 2 1 316.368 2.196 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318483666 1140345468 /nfs/dbraw/zinc/34/54/68/1140345468.db2.gz GPGUFQVRBQJNKB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318483666 1140345475 /nfs/dbraw/zinc/34/54/75/1140345475.db2.gz GPGUFQVRBQJNKB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318483666 1140345479 /nfs/dbraw/zinc/34/54/79/1140345479.db2.gz GPGUFQVRBQJNKB-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001318916553 1140467095 /nfs/dbraw/zinc/46/70/95/1140467095.db2.gz BJXKHMASBWOPFH-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001319000131 1140489147 /nfs/dbraw/zinc/48/91/47/1140489147.db2.gz KRDQGEOAISPUQX-INIZCTEOSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001319038817 1140493415 /nfs/dbraw/zinc/49/34/15/1140493415.db2.gz ULKNKXVPZAKDJW-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001329624743 1148943832 /nfs/dbraw/zinc/94/38/32/1148943832.db2.gz STRNJBALAHKQMW-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001329624743 1148943846 /nfs/dbraw/zinc/94/38/46/1148943846.db2.gz STRNJBALAHKQMW-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001329624743 1148943856 /nfs/dbraw/zinc/94/38/56/1148943856.db2.gz STRNJBALAHKQMW-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319649031 1140639384 /nfs/dbraw/zinc/63/93/84/1140639384.db2.gz UPDOPMGUSWWPSQ-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001320181785 1140835585 /nfs/dbraw/zinc/83/55/85/1140835585.db2.gz DEZORZQLNXEMGN-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278427803 1140854860 /nfs/dbraw/zinc/85/48/60/1140854860.db2.gz YHJDWSMVKYXZPX-KRWDZBQOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278427803 1140854861 /nfs/dbraw/zinc/85/48/61/1140854861.db2.gz YHJDWSMVKYXZPX-KRWDZBQOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]C[C@@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001246198215 1140871950 /nfs/dbraw/zinc/87/19/50/1140871950.db2.gz DTOZTAMZUFNMKL-ALILYOIUSA-N 2 1 306.450 2.252 20 30 DEEDMP COc1cc(C#N)ccc1OC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246850006 1141087515 /nfs/dbraw/zinc/08/75/15/1141087515.db2.gz HZHPRSFAGPKSHS-UHFFFAOYSA-N 2 1 315.417 2.162 20 30 DEEDMP N#C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CCN1 ZINC001246903893 1141111383 /nfs/dbraw/zinc/11/13/83/1141111383.db2.gz CGVFVNNZNJTLBZ-VLOYRQLPSA-N 2 1 312.461 2.403 20 30 DEEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322668741 1141671981 /nfs/dbraw/zinc/67/19/81/1141671981.db2.gz ULEPVYPUGQVCOX-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358080 1141845473 /nfs/dbraw/zinc/84/54/73/1141845473.db2.gz RFAFPCBWSZLSBI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001323735676 1141881933 /nfs/dbraw/zinc/88/19/33/1141881933.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001323735676 1141881935 /nfs/dbraw/zinc/88/19/35/1141881935.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001323735676 1141881936 /nfs/dbraw/zinc/88/19/36/1141881936.db2.gz BTZZJWLDPIBJFW-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252471819 1142724486 /nfs/dbraw/zinc/72/44/86/1142724486.db2.gz IXZUWWOSMRRFRO-SFHVURJKSA-N 2 1 310.482 2.279 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC001340773046 1143436730 /nfs/dbraw/zinc/43/67/30/1143436730.db2.gz GRNKECKNZKSSTH-LLVKDONJSA-N 2 1 308.451 2.143 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001341701325 1143671200 /nfs/dbraw/zinc/67/12/00/1143671200.db2.gz OIROUBYLPGJXJZ-ZWKOTPCHSA-N 2 1 315.461 2.451 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001341894274 1143736713 /nfs/dbraw/zinc/73/67/13/1143736713.db2.gz VWAOWSCDCMJLCL-NXHRZFHOSA-N 2 1 305.466 2.004 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264062686 1144453007 /nfs/dbraw/zinc/45/30/07/1144453007.db2.gz OKRXVXSFHZTVMU-BBWFWOEESA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001264464281 1144543632 /nfs/dbraw/zinc/54/36/32/1144543632.db2.gz KPJYVTPVGUUDMM-BBWFWOEESA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001264551265 1144565663 /nfs/dbraw/zinc/56/56/63/1144565663.db2.gz ZPQOOFXBSXSYSP-LTIDMASMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265306748 1144689123 /nfs/dbraw/zinc/68/91/23/1144689123.db2.gz WSFYHHDQBUVQAP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306748 1144689125 /nfs/dbraw/zinc/68/91/25/1144689125.db2.gz WSFYHHDQBUVQAP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001265306748 1144689127 /nfs/dbraw/zinc/68/91/27/1144689127.db2.gz WSFYHHDQBUVQAP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001265670985 1144725686 /nfs/dbraw/zinc/72/56/86/1144725686.db2.gz YXPIBLFKIPIOSR-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001265982163 1144776549 /nfs/dbraw/zinc/77/65/49/1144776549.db2.gz CTTRHVXPQGNUNM-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777221 1144854740 /nfs/dbraw/zinc/85/47/40/1144854740.db2.gz OTKOBNFAIDNORD-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001280777221 1144854741 /nfs/dbraw/zinc/85/47/41/1144854741.db2.gz OTKOBNFAIDNORD-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001280865457 1144860189 /nfs/dbraw/zinc/86/01/89/1144860189.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001280865457 1144860190 /nfs/dbraw/zinc/86/01/90/1144860190.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001280865457 1144860192 /nfs/dbraw/zinc/86/01/92/1144860192.db2.gz JYMZZEFQGDEIGR-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281102057 1144871672 /nfs/dbraw/zinc/87/16/72/1144871672.db2.gz ZBMNADRNXXFQFW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281102057 1144871673 /nfs/dbraw/zinc/87/16/73/1144871673.db2.gz ZBMNADRNXXFQFW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281102057 1144871674 /nfs/dbraw/zinc/87/16/74/1144871674.db2.gz ZBMNADRNXXFQFW-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619257 1145099027 /nfs/dbraw/zinc/09/90/27/1145099027.db2.gz OECJKXMTYPZBAE-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284605584 1145878214 /nfs/dbraw/zinc/87/82/14/1145878214.db2.gz YQQWKXFEXQNMNR-IAGOWNOFSA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001491933850 1147006540 /nfs/dbraw/zinc/00/65/40/1147006540.db2.gz RYHSPLKVFRWVBP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491933850 1147006545 /nfs/dbraw/zinc/00/65/45/1147006545.db2.gz RYHSPLKVFRWVBP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491933850 1147006552 /nfs/dbraw/zinc/00/65/52/1147006552.db2.gz RYHSPLKVFRWVBP-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001316717836 1147577488 /nfs/dbraw/zinc/57/74/88/1147577488.db2.gz PXYLVICMSXCYLG-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317367333 1147696930 /nfs/dbraw/zinc/69/69/30/1147696930.db2.gz ZRIGFPGDUJXFJZ-ROUUACIJSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317367333 1147696931 /nfs/dbraw/zinc/69/69/31/1147696931.db2.gz ZRIGFPGDUJXFJZ-ROUUACIJSA-N 2 1 315.461 2.321 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383910 1147700208 /nfs/dbraw/zinc/70/02/08/1147700208.db2.gz IPMIJACBIQZHFA-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526391 1147720241 /nfs/dbraw/zinc/72/02/41/1147720241.db2.gz JERMEHZSEWGJLS-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317534311 1147721724 /nfs/dbraw/zinc/72/17/24/1147721724.db2.gz ARVCCRJOMDZVJN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317534311 1147721725 /nfs/dbraw/zinc/72/17/25/1147721725.db2.gz ARVCCRJOMDZVJN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317534311 1147721726 /nfs/dbraw/zinc/72/17/26/1147721726.db2.gz ARVCCRJOMDZVJN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317797450 1147753666 /nfs/dbraw/zinc/75/36/66/1147753666.db2.gz PAHWYHPYWUGSHD-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317797450 1147753667 /nfs/dbraw/zinc/75/36/67/1147753667.db2.gz PAHWYHPYWUGSHD-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317797450 1147753668 /nfs/dbraw/zinc/75/36/68/1147753668.db2.gz PAHWYHPYWUGSHD-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001326604556 1148158948 /nfs/dbraw/zinc/15/89/48/1148158948.db2.gz WEBPYIPZLZLBLO-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP Cc1cc(C#N)ccc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000614401976 362372889 /nfs/dbraw/zinc/37/28/89/362372889.db2.gz URIQSWPVCRGMAZ-IBGZPJMESA-N 2 1 312.461 2.079 20 30 DEEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000614401976 362372903 /nfs/dbraw/zinc/37/29/03/362372903.db2.gz URIQSWPVCRGMAZ-IBGZPJMESA-N 2 1 312.461 2.079 20 30 DEEDMP N#Cc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174245275 198310476 /nfs/dbraw/zinc/31/04/76/198310476.db2.gz HADDDNHAEDDWPB-UHFFFAOYSA-N 2 1 324.428 2.059 20 30 DEEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000602595873 360448185 /nfs/dbraw/zinc/44/81/85/360448185.db2.gz FKKASSPWPJQINC-YJBOKZPZSA-N 2 1 301.434 2.283 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120448625 781941991 /nfs/dbraw/zinc/94/19/91/781941991.db2.gz CPKIEXSNRITHNF-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C#N ZINC000349064740 146346211 /nfs/dbraw/zinc/34/62/11/146346211.db2.gz WADAKNDKMDNFIF-UHFFFAOYSA-N 2 1 314.477 2.325 20 30 DEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396225 401851580 /nfs/dbraw/zinc/85/15/80/401851580.db2.gz OQRWBSKXXOKNLN-MPGHIAIKSA-N 2 1 324.513 2.385 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004331 401978471 /nfs/dbraw/zinc/97/84/71/401978471.db2.gz XJMHQZOVEOPVAR-MRXNPFEDSA-N 2 1 318.465 2.099 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004331 401978472 /nfs/dbraw/zinc/97/84/72/401978472.db2.gz XJMHQZOVEOPVAR-MRXNPFEDSA-N 2 1 318.465 2.099 20 30 DEEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000120243528 401983677 /nfs/dbraw/zinc/98/36/77/401983677.db2.gz QPEWNMVSPLBUSR-INIZCTEOSA-N 2 1 322.497 2.191 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000126295021 402273720 /nfs/dbraw/zinc/27/37/20/402273720.db2.gz SEXMBTFGDZDKEO-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000176972414 402355412 /nfs/dbraw/zinc/35/54/12/402355412.db2.gz QVOMFBIXQCPEIL-CYBMUJFWSA-N 2 1 305.447 2.210 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316839 402640925 /nfs/dbraw/zinc/64/09/25/402640925.db2.gz ZUCOELMSZGDTFM-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181316839 402640926 /nfs/dbraw/zinc/64/09/26/402640926.db2.gz ZUCOELMSZGDTFM-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181316839 402640929 /nfs/dbraw/zinc/64/09/29/402640929.db2.gz ZUCOELMSZGDTFM-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)C(C)C ZINC000195129285 402832943 /nfs/dbraw/zinc/83/29/43/402832943.db2.gz QOBUOGSECGHOQA-IAGOWNOFSA-N 2 1 322.497 2.078 20 30 DEEDMP N#Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000269440595 403139663 /nfs/dbraw/zinc/13/96/63/403139663.db2.gz SKUYOCFNKXODGE-MRXNPFEDSA-N 2 1 305.397 2.024 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283765651 403221577 /nfs/dbraw/zinc/22/15/77/403221577.db2.gz IJVDKMRTOOQPRU-HNNXBMFYSA-N 2 1 313.449 2.099 20 30 DEEDMP CCN(CC)C(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304762048 403801060 /nfs/dbraw/zinc/80/10/60/403801060.db2.gz VEZXKCFGVNVJNN-UHFFFAOYSA-N 2 1 321.469 2.160 20 30 DEEDMP C[C@@H](CCC#N)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437943 403857656 /nfs/dbraw/zinc/85/76/56/403857656.db2.gz BBMBHZZNEQYJJR-YESZJQIVSA-N 2 1 323.481 2.269 20 30 DEEDMP C[C@@H](CCC#N)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411437943 403857657 /nfs/dbraw/zinc/85/76/57/403857657.db2.gz BBMBHZZNEQYJJR-YESZJQIVSA-N 2 1 323.481 2.269 20 30 DEEDMP CC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000414352838 404588849 /nfs/dbraw/zinc/58/88/49/404588849.db2.gz XLYFFHKFJNSGGH-IBGZPJMESA-N 2 1 312.461 2.206 20 30 DEEDMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000414352838 404588856 /nfs/dbraw/zinc/58/88/56/404588856.db2.gz XLYFFHKFJNSGGH-IBGZPJMESA-N 2 1 312.461 2.206 20 30 DEEDMP C=CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364856003 404540015 /nfs/dbraw/zinc/54/00/15/404540015.db2.gz NXSSEIGRFDHNGB-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CCCCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364856003 404540022 /nfs/dbraw/zinc/54/00/22/404540022.db2.gz NXSSEIGRFDHNGB-QGZVFWFLSA-N 2 1 322.497 2.153 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000357955397 404749158 /nfs/dbraw/zinc/74/91/58/404749158.db2.gz IQGGYXSHYKVSPO-HNNXBMFYSA-N 2 1 310.486 2.056 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794903 404775953 /nfs/dbraw/zinc/77/59/53/404775953.db2.gz IZTYEHGQGOBCMA-CVEARBPZSA-N 2 1 322.497 2.056 20 30 DEEDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367104 405779391 /nfs/dbraw/zinc/77/93/91/405779391.db2.gz CXQWLDDJYHVGPU-KXBFYZLASA-N 2 1 312.461 2.253 20 30 DEEDMP C=CCNC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000561945215 405952843 /nfs/dbraw/zinc/95/28/43/405952843.db2.gz NILLLAMFOJFFBH-OAHLLOKOSA-N 2 1 321.490 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000517324677 406125651 /nfs/dbraw/zinc/12/56/51/406125651.db2.gz XUFDRRSJESQKCO-INIZCTEOSA-N 2 1 322.497 2.056 20 30 DEEDMP C#CCNC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000491791696 406722029 /nfs/dbraw/zinc/72/20/29/406722029.db2.gz AUZMGHLXALKBLS-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCNC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000491791697 406722200 /nfs/dbraw/zinc/72/22/00/406722200.db2.gz AUZMGHLXALKBLS-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897655 782028805 /nfs/dbraw/zinc/02/88/05/782028805.db2.gz RRUPPSZPBAORIB-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662788958 425735619 /nfs/dbraw/zinc/73/56/19/425735619.db2.gz XXYLGZYTFSTUFV-GOSISDBHSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001378927408 1152493784 /nfs/dbraw/zinc/49/37/84/1152493784.db2.gz QGACTYKBTZJQHC-UKRRQHHQSA-N 2 1 315.889 2.296 20 30 DEEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264082339 527982855 /nfs/dbraw/zinc/98/28/55/527982855.db2.gz HWBYWZDOPIEEPX-HNNXBMFYSA-N 2 1 318.465 2.064 20 30 DEEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264082339 527982860 /nfs/dbraw/zinc/98/28/60/527982860.db2.gz HWBYWZDOPIEEPX-HNNXBMFYSA-N 2 1 318.465 2.064 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008042060 625313581 /nfs/dbraw/zinc/31/35/81/625313581.db2.gz ALQZIZULEBGXRW-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310301 625403237 /nfs/dbraw/zinc/40/32/37/625403237.db2.gz OYXZLGWWMPOUMB-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310600 625436711 /nfs/dbraw/zinc/43/67/11/625436711.db2.gz UOHGOJIOFDWBJM-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156360 622597001 /nfs/dbraw/zinc/59/70/01/622597001.db2.gz RBAOHOADVQPCRN-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969692367 622886644 /nfs/dbraw/zinc/88/66/44/622886644.db2.gz IABONVHVJZIGSO-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906931 623185078 /nfs/dbraw/zinc/18/50/78/623185078.db2.gz MOJUZNTZDSJEHC-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529843 623523549 /nfs/dbraw/zinc/52/35/49/623523549.db2.gz TYUQJLXHPBOUAU-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604158 623818260 /nfs/dbraw/zinc/81/82/60/623818260.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604158 623818269 /nfs/dbraw/zinc/81/82/69/623818269.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604158 623818277 /nfs/dbraw/zinc/81/82/77/623818277.db2.gz BGIIBEKBEZRWEG-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739095 624021881 /nfs/dbraw/zinc/02/18/81/624021881.db2.gz GKNQYXFVLAJKDJ-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947474027 624642372 /nfs/dbraw/zinc/64/23/72/624642372.db2.gz PNAUATNSIWBNFU-UKRRQHHQSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978800615 634423647 /nfs/dbraw/zinc/42/36/47/634423647.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800615 634423649 /nfs/dbraw/zinc/42/36/49/634423649.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978800615 634423653 /nfs/dbraw/zinc/42/36/53/634423653.db2.gz SKHHXZHCHNOKBJ-FJIDUMEYSA-N 2 1 319.493 2.119 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024741314 625025643 /nfs/dbraw/zinc/02/56/43/625025643.db2.gz ZZXNDLNPMZXVSF-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746862 625061117 /nfs/dbraw/zinc/06/11/17/625061117.db2.gz OQMPPULBQOLVTH-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746862 625061121 /nfs/dbraw/zinc/06/11/21/625061121.db2.gz OQMPPULBQOLVTH-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746862 625061132 /nfs/dbraw/zinc/06/11/32/625061132.db2.gz OQMPPULBQOLVTH-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000103338306 625161736 /nfs/dbraw/zinc/16/17/36/625161736.db2.gz XRICVUGMJMEPRD-AWEZNQCLSA-N 2 1 306.454 2.455 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413113 625258961 /nfs/dbraw/zinc/25/89/61/625258961.db2.gz AEIGHOJZWWCVSK-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413113 625258962 /nfs/dbraw/zinc/25/89/62/625258962.db2.gz AEIGHOJZWWCVSK-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413113 625258965 /nfs/dbraw/zinc/25/89/65/625258965.db2.gz AEIGHOJZWWCVSK-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695457 634450551 /nfs/dbraw/zinc/45/05/51/634450551.db2.gz VRNTZVHKHLIQRK-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695456 634450611 /nfs/dbraw/zinc/45/06/11/634450611.db2.gz VRNTZVHKHLIQRK-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP [NH2+]=C(NCC1CCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195290823 625785803 /nfs/dbraw/zinc/78/58/03/625785803.db2.gz WIBRNLJDQYZRKU-QGZVFWFLSA-N 2 1 300.450 2.213 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534997 625850613 /nfs/dbraw/zinc/85/06/13/625850613.db2.gz OEBGJFHFNUKFBP-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142533 634492816 /nfs/dbraw/zinc/49/28/16/634492816.db2.gz AWXLNQUXOOCVBD-HUUCEWRRSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691718 632926695 /nfs/dbraw/zinc/92/66/95/632926695.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691718 632926701 /nfs/dbraw/zinc/92/67/01/632926701.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691718 632926704 /nfs/dbraw/zinc/92/67/04/632926704.db2.gz AAPHSAUWXQPTJT-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586850 633166132 /nfs/dbraw/zinc/16/61/32/633166132.db2.gz KQXWDVUGXIUEMJ-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC000974729180 633269649 /nfs/dbraw/zinc/26/96/49/633269649.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974729180 633269653 /nfs/dbraw/zinc/26/96/53/633269653.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974729180 633269657 /nfs/dbraw/zinc/26/96/57/633269657.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729180 633269662 /nfs/dbraw/zinc/26/96/62/633269662.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974729180 633269665 /nfs/dbraw/zinc/26/96/65/633269665.db2.gz HPRSCGZMWFZDPU-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974822860 633318301 /nfs/dbraw/zinc/31/83/01/633318301.db2.gz BBZUHYYZVXWXFW-MRXNPFEDSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996965 633383825 /nfs/dbraw/zinc/38/38/25/633383825.db2.gz PRLYIXGSZBOITN-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015972265 633551150 /nfs/dbraw/zinc/55/11/50/633551150.db2.gz IMNONKAADOKZCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015972265 633551152 /nfs/dbraw/zinc/55/11/52/633551152.db2.gz IMNONKAADOKZCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015972265 633551154 /nfs/dbraw/zinc/55/11/54/633551154.db2.gz IMNONKAADOKZCO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997080442 633567910 /nfs/dbraw/zinc/56/79/10/633567910.db2.gz VFEKNXXUQJEVDT-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027448377 633801009 /nfs/dbraw/zinc/80/10/09/633801009.db2.gz IDPSMKFMTDLAPA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027448377 633801015 /nfs/dbraw/zinc/80/10/15/633801015.db2.gz IDPSMKFMTDLAPA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027448377 633801023 /nfs/dbraw/zinc/80/10/23/633801023.db2.gz IDPSMKFMTDLAPA-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217252 633882455 /nfs/dbraw/zinc/88/24/55/633882455.db2.gz RIMFOTZLIPBBRQ-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588057 633887464 /nfs/dbraw/zinc/88/74/64/633887464.db2.gz VFEKNXXUQJEVDT-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977379841 633961597 /nfs/dbraw/zinc/96/15/97/633961597.db2.gz QQOORFZKZSOJAC-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977379841 633961602 /nfs/dbraw/zinc/96/16/02/633961602.db2.gz QQOORFZKZSOJAC-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998020082 634114600 /nfs/dbraw/zinc/11/46/00/634114600.db2.gz UPRAPAXTADHLCO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998020082 634114605 /nfs/dbraw/zinc/11/46/05/634114605.db2.gz UPRAPAXTADHLCO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998020082 634114609 /nfs/dbraw/zinc/11/46/09/634114609.db2.gz UPRAPAXTADHLCO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001027609982 634279166 /nfs/dbraw/zinc/27/91/66/634279166.db2.gz HLRQUYPHYLXPGU-GOEBONIOSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001027609982 634279169 /nfs/dbraw/zinc/27/91/69/634279169.db2.gz HLRQUYPHYLXPGU-GOEBONIOSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001027609982 634279172 /nfs/dbraw/zinc/27/91/72/634279172.db2.gz HLRQUYPHYLXPGU-GOEBONIOSA-N 2 1 304.438 2.087 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000892566 635331288 /nfs/dbraw/zinc/33/12/88/635331288.db2.gz CCJIDKKVOVGCIV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000892566 635331294 /nfs/dbraw/zinc/33/12/94/635331294.db2.gz CCJIDKKVOVGCIV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000892566 635331299 /nfs/dbraw/zinc/33/12/99/635331299.db2.gz CCJIDKKVOVGCIV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981523664 635514695 /nfs/dbraw/zinc/51/46/95/635514695.db2.gz VOEFUKZFQNWPJG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523664 635514701 /nfs/dbraw/zinc/51/47/01/635514701.db2.gz VOEFUKZFQNWPJG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981523664 635514703 /nfs/dbraw/zinc/51/47/03/635514703.db2.gz VOEFUKZFQNWPJG-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001523345 635521194 /nfs/dbraw/zinc/52/11/94/635521194.db2.gz RVMLGSWQVXVWQX-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751720 635549066 /nfs/dbraw/zinc/54/90/66/635549066.db2.gz NNYUBKHGUSBENE-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776407 635640562 /nfs/dbraw/zinc/64/05/62/635640562.db2.gz MWANMZBCCDJRLA-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776407 635640564 /nfs/dbraw/zinc/64/05/64/635640564.db2.gz MWANMZBCCDJRLA-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776407 635640568 /nfs/dbraw/zinc/64/05/68/635640568.db2.gz MWANMZBCCDJRLA-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003015424 635884890 /nfs/dbraw/zinc/88/48/90/635884890.db2.gz DLBPBDNVRUXFFT-INIZCTEOSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028252130 635960987 /nfs/dbraw/zinc/96/09/87/635960987.db2.gz QWAHIEWPCJRSDC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252130 635960989 /nfs/dbraw/zinc/96/09/89/635960989.db2.gz QWAHIEWPCJRSDC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252130 635960990 /nfs/dbraw/zinc/96/09/90/635960990.db2.gz QWAHIEWPCJRSDC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003939806 636091966 /nfs/dbraw/zinc/09/19/66/636091966.db2.gz BKOFJHQWSFFJJT-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384563 636151380 /nfs/dbraw/zinc/15/13/80/636151380.db2.gz DFXUSAMUWSPCJC-VQHPVUNQSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC000982597612 636301828 /nfs/dbraw/zinc/30/18/28/636301828.db2.gz AOYCSFHLYVEMAH-HDICACEKSA-N 2 1 316.449 2.089 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004462477 636460808 /nfs/dbraw/zinc/46/08/08/636460808.db2.gz DIFOTLFLMNTQHU-MSOLQXFVSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594511 636464132 /nfs/dbraw/zinc/46/41/32/636464132.db2.gz HQLPNQVCWCLSNM-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594511 636464135 /nfs/dbraw/zinc/46/41/35/636464135.db2.gz HQLPNQVCWCLSNM-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594511 636464138 /nfs/dbraw/zinc/46/41/38/636464138.db2.gz HQLPNQVCWCLSNM-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004538619 636481229 /nfs/dbraw/zinc/48/12/29/636481229.db2.gz DIFOTLFLMNTQHU-ZWKOTPCHSA-N 2 1 321.509 2.462 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004540003 636485872 /nfs/dbraw/zinc/48/58/72/636485872.db2.gz AOOFCWYCGFSWDD-WMZOPIPTSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710243 636573253 /nfs/dbraw/zinc/57/32/53/636573253.db2.gz KGBSBRSOVMMARD-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784815 636652346 /nfs/dbraw/zinc/65/23/46/636652346.db2.gz VXEPOJHVBRBMNM-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901322 636830926 /nfs/dbraw/zinc/83/09/26/636830926.db2.gz AFNJUXZZBITKKX-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921216 636854708 /nfs/dbraw/zinc/85/47/08/636854708.db2.gz NEIUBSMPTVZSED-KRWDZBQOSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(Cl)CN1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005994664 637052448 /nfs/dbraw/zinc/05/24/48/637052448.db2.gz GXROLPNUEXPBII-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001005994664 637052457 /nfs/dbraw/zinc/05/24/57/637052457.db2.gz GXROLPNUEXPBII-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742109 637216003 /nfs/dbraw/zinc/21/60/03/637216003.db2.gz GTPJWLJSFOHQEP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006293297 637330685 /nfs/dbraw/zinc/33/06/85/637330685.db2.gz GAGNVACCQGWMOU-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP CC[NH+](CC)Cc1cc(C(C)=NN2CC[NH+](C)CC2)ccc1O ZINC000839383261 637860098 /nfs/dbraw/zinc/86/00/98/637860098.db2.gz HIRARUGJWDAVOQ-UHFFFAOYSA-N 2 1 318.465 2.205 20 30 DEEDMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[NH+](C)C ZINC000895296582 637900866 /nfs/dbraw/zinc/90/08/66/637900866.db2.gz PQBXGBJWTOXAOE-AWEZNQCLSA-N 2 1 311.433 2.389 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985608314 639543664 /nfs/dbraw/zinc/54/36/64/639543664.db2.gz RGDISXGXVAEGGO-UHFFFAOYSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000985801569 639643098 /nfs/dbraw/zinc/64/30/98/639643098.db2.gz HAVCTOJTRXDYGY-HZPDHXFCSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000764628800 640667158 /nfs/dbraw/zinc/66/71/58/640667158.db2.gz YAHKTRCRIZKZGT-UHFFFAOYSA-N 2 1 303.450 2.131 20 30 DEEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000904470916 643677233 /nfs/dbraw/zinc/67/72/33/643677233.db2.gz CXTRLCOOYCKZPW-WMZOPIPTSA-N 2 1 309.369 2.497 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991992957 646823263 /nfs/dbraw/zinc/82/32/63/646823263.db2.gz HCIUNWVMHPVABZ-YQVWRLOYSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189939 646895060 /nfs/dbraw/zinc/89/50/60/646895060.db2.gz OEZQBMALTHVRFI-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189939 646895064 /nfs/dbraw/zinc/89/50/64/646895064.db2.gz OEZQBMALTHVRFI-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992189939 646895067 /nfs/dbraw/zinc/89/50/67/646895067.db2.gz OEZQBMALTHVRFI-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP c1cc2c3c(c1)C(=[NH+]NCCC[NH+]1CCOCC1)CC[C@H]3CN2 ZINC000814923946 646947196 /nfs/dbraw/zinc/94/71/96/646947196.db2.gz RLGBNVGAJZJJBX-AWEZNQCLSA-N 2 1 314.433 2.006 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992435926 647001353 /nfs/dbraw/zinc/00/13/53/647001353.db2.gz VQXUYPLWZHCRBC-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435926 647001355 /nfs/dbraw/zinc/00/13/55/647001355.db2.gz VQXUYPLWZHCRBC-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435926 647001356 /nfs/dbraw/zinc/00/13/56/647001356.db2.gz VQXUYPLWZHCRBC-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992489399 647063845 /nfs/dbraw/zinc/06/38/45/647063845.db2.gz ONXHUMOJUPOBHP-WMZOPIPTSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992489399 647063847 /nfs/dbraw/zinc/06/38/47/647063847.db2.gz ONXHUMOJUPOBHP-WMZOPIPTSA-N 2 1 305.466 2.162 20 30 DEEDMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)[nH+]c1 ZINC000819129187 647589062 /nfs/dbraw/zinc/58/90/62/647589062.db2.gz CUQWBHVECAIQGQ-KRWDZBQOSA-N 2 1 310.401 2.387 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993546388 647694038 /nfs/dbraw/zinc/69/40/38/647694038.db2.gz KDVBWKBANBEOQI-WMLDXEAASA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993618845 647707788 /nfs/dbraw/zinc/70/77/88/647707788.db2.gz VPNSFEVQLHGCFH-RHSMWYFYSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993619013 647708441 /nfs/dbraw/zinc/70/84/41/647708441.db2.gz WCUOAIIERDDLFU-YOEHRIQHSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994078211 647785644 /nfs/dbraw/zinc/78/56/44/647785644.db2.gz HBBVKONIJSGSQZ-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253242 647861526 /nfs/dbraw/zinc/86/15/26/647861526.db2.gz NDXHQIWMRPITEM-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883138 648589092 /nfs/dbraw/zinc/58/90/92/648589092.db2.gz YYFIFVAKDXTQFH-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745655 648933181 /nfs/dbraw/zinc/93/31/81/648933181.db2.gz RUCYIEDMEORQOY-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP CCCCCCCCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000849000021 651577623 /nfs/dbraw/zinc/57/76/23/651577623.db2.gz HCDKTTNDZJFDHT-HOTGVXAUSA-N 2 1 310.486 2.324 20 30 DEEDMP C#CCOc1ccccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000111386605 652561871 /nfs/dbraw/zinc/56/18/71/652561871.db2.gz KBCOOYDNLBUTCR-SFHVURJKSA-N 2 1 316.445 2.025 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cc1OC ZINC000304746578 685258689 /nfs/dbraw/zinc/25/86/89/685258689.db2.gz FXNAVVWYTUXSJC-CQSZACIVSA-N 2 1 324.856 2.237 20 30 DEEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCCC2 ZINC000304757957 685260173 /nfs/dbraw/zinc/26/01/73/685260173.db2.gz PLBDICHZYHPQOR-HRCADAONSA-N 2 1 322.497 2.113 20 30 DEEDMP Cc1ccc([C@H](CNC(=[NH2+])N2CCSCC2)[NH+]2CCCC2)o1 ZINC000104191393 684059105 /nfs/dbraw/zinc/05/91/05/684059105.db2.gz SSHPROUKGGBXGA-AWEZNQCLSA-N 2 1 322.478 2.088 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1Cl ZINC000130791205 684192631 /nfs/dbraw/zinc/19/26/31/684192631.db2.gz SGRASHLTIMNKII-CYBMUJFWSA-N 2 1 324.856 2.107 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145482 693861973 /nfs/dbraw/zinc/86/19/73/693861973.db2.gz QRLGNRWDMBLVFH-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154776 693865312 /nfs/dbraw/zinc/86/53/12/693865312.db2.gz VQZILXFAGXLUSN-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)cc2C1 ZINC001054281104 693913441 /nfs/dbraw/zinc/91/34/41/693913441.db2.gz BITPJRPMXOYQEM-RDTXWAMCSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cc2C1 ZINC001054281104 693913442 /nfs/dbraw/zinc/91/34/42/693913442.db2.gz BITPJRPMXOYQEM-RDTXWAMCSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281104 693913444 /nfs/dbraw/zinc/91/34/44/693913444.db2.gz BITPJRPMXOYQEM-RDTXWAMCSA-N 2 1 313.445 2.002 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)cc2C1 ZINC001054281104 693913445 /nfs/dbraw/zinc/91/34/45/693913445.db2.gz BITPJRPMXOYQEM-RDTXWAMCSA-N 2 1 313.445 2.002 20 30 DEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cc(OC)ccc1OC)C(C)C ZINC000303980083 685241513 /nfs/dbraw/zinc/24/15/13/685241513.db2.gz NURGUYJLFVAMTP-UHFFFAOYSA-N 2 1 308.426 2.161 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016319252 687590925 /nfs/dbraw/zinc/59/09/25/687590925.db2.gz ATAQLYACFWHTPF-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618215 687665864 /nfs/dbraw/zinc/66/58/64/687665864.db2.gz QUBVPJIYPULHBN-CVEARBPZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016686961 687682583 /nfs/dbraw/zinc/68/25/83/687682583.db2.gz FJSHSBUHYPSAFG-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001017905874 687994847 /nfs/dbraw/zinc/99/48/47/687994847.db2.gz OQYDOQVRAOHQRS-IXDOHACOSA-N 2 1 307.482 2.214 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845556 688545231 /nfs/dbraw/zinc/54/52/31/688545231.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845556 688545233 /nfs/dbraw/zinc/54/52/33/688545233.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845556 688545236 /nfs/dbraw/zinc/54/52/36/688545236.db2.gz MLWJBYZXWGQRSP-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445972 689153573 /nfs/dbraw/zinc/15/35/73/689153573.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445972 689153575 /nfs/dbraw/zinc/15/35/75/689153575.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445972 689153576 /nfs/dbraw/zinc/15/35/76/689153576.db2.gz SWQTUWPGEVHVEO-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446330 689153585 /nfs/dbraw/zinc/15/35/85/689153585.db2.gz ZEWIDWRITYTVHJ-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032446330 689153587 /nfs/dbraw/zinc/15/35/87/689153587.db2.gz ZEWIDWRITYTVHJ-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032446330 689153589 /nfs/dbraw/zinc/15/35/89/689153589.db2.gz ZEWIDWRITYTVHJ-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032446330 689153591 /nfs/dbraw/zinc/15/35/91/689153591.db2.gz ZEWIDWRITYTVHJ-OKZBNKHCSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803891 689265465 /nfs/dbraw/zinc/26/54/65/689265465.db2.gz PMSMTYKOKFFXBA-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470656 689513328 /nfs/dbraw/zinc/51/33/28/689513328.db2.gz BYKXTXCPIVKIMN-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470656 689513331 /nfs/dbraw/zinc/51/33/31/689513331.db2.gz BYKXTXCPIVKIMN-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470656 689513333 /nfs/dbraw/zinc/51/33/33/689513333.db2.gz BYKXTXCPIVKIMN-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825984 689627833 /nfs/dbraw/zinc/62/78/33/689627833.db2.gz LCIKDDMSHFBBPX-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825984 689627836 /nfs/dbraw/zinc/62/78/36/689627836.db2.gz LCIKDDMSHFBBPX-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825984 689627839 /nfs/dbraw/zinc/62/78/39/689627839.db2.gz LCIKDDMSHFBBPX-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033830430 689629755 /nfs/dbraw/zinc/62/97/55/689629755.db2.gz IEKJDOCQILSWLN-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855203 689639288 /nfs/dbraw/zinc/63/92/88/689639288.db2.gz HVCTWQVXPVWUNQ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855203 689639290 /nfs/dbraw/zinc/63/92/90/689639290.db2.gz HVCTWQVXPVWUNQ-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330969 689811059 /nfs/dbraw/zinc/81/10/59/689811059.db2.gz QQBMOKJWOVCEGS-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433886 689849022 /nfs/dbraw/zinc/84/90/22/689849022.db2.gz HVHLKVQEMJECKO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433886 689849024 /nfs/dbraw/zinc/84/90/24/689849024.db2.gz HVHLKVQEMJECKO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433886 689849028 /nfs/dbraw/zinc/84/90/28/689849028.db2.gz HVHLKVQEMJECKO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876728711 689918522 /nfs/dbraw/zinc/91/85/22/689918522.db2.gz SYGSMSOGQVWUDY-HZPDHXFCSA-N 2 1 321.852 2.237 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000877221490 690049247 /nfs/dbraw/zinc/04/92/47/690049247.db2.gz PUCNOKGUDUIUDJ-JKSUJKDBSA-N 2 1 321.852 2.155 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001037874694 690630172 /nfs/dbraw/zinc/63/01/72/690630172.db2.gz HSCQMXQUYDWUGI-CABCVRRESA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001037976441 690654677 /nfs/dbraw/zinc/65/46/77/690654677.db2.gz ZRPMFKBHYVTVES-HUUCEWRRSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702288 690710179 /nfs/dbraw/zinc/71/01/79/690710179.db2.gz IZXYCWUUDMPWSG-UHFFFAOYSA-N 2 1 321.509 2.487 20 30 DEEDMP C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022834 690783427 /nfs/dbraw/zinc/78/34/27/690783427.db2.gz ZLBFMPAVYVLJKA-GBESFXJTSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022834 690783430 /nfs/dbraw/zinc/78/34/30/690783430.db2.gz ZLBFMPAVYVLJKA-GBESFXJTSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022834 690783434 /nfs/dbraw/zinc/78/34/34/690783434.db2.gz ZLBFMPAVYVLJKA-GBESFXJTSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880022834 690783436 /nfs/dbraw/zinc/78/34/36/690783436.db2.gz ZLBFMPAVYVLJKA-GBESFXJTSA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116969 691024022 /nfs/dbraw/zinc/02/40/22/691024022.db2.gz UWCCTKSKPBMUAS-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039116969 691024023 /nfs/dbraw/zinc/02/40/23/691024023.db2.gz UWCCTKSKPBMUAS-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039283135 691074730 /nfs/dbraw/zinc/07/47/30/691074730.db2.gz HQFYCXJBFQYBBP-AJYUKVHDSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263865 691222127 /nfs/dbraw/zinc/22/21/27/691222127.db2.gz JCYDGJIVYZUFBC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263865 691222128 /nfs/dbraw/zinc/22/21/28/691222128.db2.gz JCYDGJIVYZUFBC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263865 691222131 /nfs/dbraw/zinc/22/21/31/691222131.db2.gz JCYDGJIVYZUFBC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849313 691292495 /nfs/dbraw/zinc/29/24/95/691292495.db2.gz QIXZKHOXPJSGLF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000883186100 691452312 /nfs/dbraw/zinc/45/23/12/691452312.db2.gz LJMNOKUKGGOHLA-MOPGFXCFSA-N 2 1 323.525 2.363 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063535 691496049 /nfs/dbraw/zinc/49/60/49/691496049.db2.gz YNYFLAYSTTUAMC-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188265 691531964 /nfs/dbraw/zinc/53/19/64/691531964.db2.gz RGCKWYPQNSEWBJ-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438920 691981090 /nfs/dbraw/zinc/98/10/90/691981090.db2.gz WZZMULRJCXIRHC-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080704 691999525 /nfs/dbraw/zinc/99/95/25/691999525.db2.gz FXSXWPFMMHNJGJ-RYQLBKOJSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000886080704 691999527 /nfs/dbraw/zinc/99/95/27/691999527.db2.gz FXSXWPFMMHNJGJ-RYQLBKOJSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000886080704 691999530 /nfs/dbraw/zinc/99/95/30/691999530.db2.gz FXSXWPFMMHNJGJ-RYQLBKOJSA-N 2 1 317.477 2.380 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943708 692058648 /nfs/dbraw/zinc/05/86/48/692058648.db2.gz NCJQUEFWXROTJE-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436190 692186889 /nfs/dbraw/zinc/18/68/89/692186889.db2.gz NELKSEPXMBPVDP-SFHVURJKSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172456 692779348 /nfs/dbraw/zinc/77/93/48/692779348.db2.gz WWIQKTJILDNDTL-BDXSIMOUSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235867 692796292 /nfs/dbraw/zinc/79/62/92/692796292.db2.gz WIDOVDJTOYJWNP-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049515031 692907988 /nfs/dbraw/zinc/90/79/88/692907988.db2.gz LCQVNRAUIMOMGP-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515031 692907990 /nfs/dbraw/zinc/90/79/90/692907990.db2.gz LCQVNRAUIMOMGP-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515031 692907991 /nfs/dbraw/zinc/90/79/91/692907991.db2.gz LCQVNRAUIMOMGP-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535937 692914953 /nfs/dbraw/zinc/91/49/53/692914953.db2.gz LEUQRJONYWFYRV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535937 692914956 /nfs/dbraw/zinc/91/49/56/692914956.db2.gz LEUQRJONYWFYRV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535937 692914960 /nfs/dbraw/zinc/91/49/60/692914960.db2.gz LEUQRJONYWFYRV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593718 692935013 /nfs/dbraw/zinc/93/50/13/692935013.db2.gz GYHVZOJDJICJHZ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593718 692935016 /nfs/dbraw/zinc/93/50/16/692935016.db2.gz GYHVZOJDJICJHZ-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049637928 692948439 /nfs/dbraw/zinc/94/84/39/692948439.db2.gz JCHHKORSLYXAHX-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724796 692976954 /nfs/dbraw/zinc/97/69/54/692976954.db2.gz UCCDVLMJLVWWSU-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724796 692976956 /nfs/dbraw/zinc/97/69/56/692976956.db2.gz UCCDVLMJLVWWSU-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724796 692976961 /nfs/dbraw/zinc/97/69/61/692976961.db2.gz UCCDVLMJLVWWSU-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806911 693006791 /nfs/dbraw/zinc/00/67/91/693006791.db2.gz PPEDWVDDNCZUSN-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903817 693042730 /nfs/dbraw/zinc/04/27/30/693042730.db2.gz ZUOVXAUEVXQPSZ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049903817 693042733 /nfs/dbraw/zinc/04/27/33/693042733.db2.gz ZUOVXAUEVXQPSZ-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137860 693118181 /nfs/dbraw/zinc/11/81/81/693118181.db2.gz HDHYVRPWQMXGJJ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137860 693118184 /nfs/dbraw/zinc/11/81/84/693118184.db2.gz HDHYVRPWQMXGJJ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050137860 693118185 /nfs/dbraw/zinc/11/81/85/693118185.db2.gz HDHYVRPWQMXGJJ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050144932 693120674 /nfs/dbraw/zinc/12/06/74/693120674.db2.gz UMNYTKKIPOJKJS-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519441 693199499 /nfs/dbraw/zinc/19/94/99/693199499.db2.gz IHXDOFKOVBUYJR-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523852 693200120 /nfs/dbraw/zinc/20/01/20/693200120.db2.gz KJTCJHJYBWKVDR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001050694828 693233711 /nfs/dbraw/zinc/23/37/11/693233711.db2.gz LKBMCQNWICPINA-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395692 693522932 /nfs/dbraw/zinc/52/29/32/693522932.db2.gz YDRRXIZMOLQKSL-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395692 693522935 /nfs/dbraw/zinc/52/29/35/693522935.db2.gz YDRRXIZMOLQKSL-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395692 693522937 /nfs/dbraw/zinc/52/29/37/693522937.db2.gz YDRRXIZMOLQKSL-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446863 693537487 /nfs/dbraw/zinc/53/74/87/693537487.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446863 693537491 /nfs/dbraw/zinc/53/74/91/693537491.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446863 693537494 /nfs/dbraw/zinc/53/74/94/693537494.db2.gz RURMDJNFXIUANZ-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052657937 693590078 /nfs/dbraw/zinc/59/00/78/693590078.db2.gz ASHQDLVZVUXOAG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657937 693590080 /nfs/dbraw/zinc/59/00/80/693590080.db2.gz ASHQDLVZVUXOAG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052657937 693590082 /nfs/dbraw/zinc/59/00/82/693590082.db2.gz ASHQDLVZVUXOAG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764417 693614678 /nfs/dbraw/zinc/61/46/78/693614678.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764417 693614682 /nfs/dbraw/zinc/61/46/82/693614682.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764417 693614686 /nfs/dbraw/zinc/61/46/86/693614686.db2.gz OUTYQYPMJJLDMH-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873013 693638494 /nfs/dbraw/zinc/63/84/94/693638494.db2.gz MUSMMGKQIOLUIZ-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873013 693638495 /nfs/dbraw/zinc/63/84/95/693638495.db2.gz MUSMMGKQIOLUIZ-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(Cl)CN1CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001402220529 1162295343 /nfs/dbraw/zinc/29/53/43/1162295343.db2.gz GFBDULGHFUJPEU-INIZCTEOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402220529 1162295346 /nfs/dbraw/zinc/29/53/46/1162295346.db2.gz GFBDULGHFUJPEU-INIZCTEOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001402220529 1162295352 /nfs/dbraw/zinc/29/53/52/1162295352.db2.gz GFBDULGHFUJPEU-INIZCTEOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001402220529 1162295362 /nfs/dbraw/zinc/29/53/62/1162295362.db2.gz GFBDULGHFUJPEU-INIZCTEOSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001402897561 1162523565 /nfs/dbraw/zinc/52/35/65/1162523565.db2.gz XFBYQKGCVMDGBS-QWHCGFSZSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001375515499 1158796506 /nfs/dbraw/zinc/79/65/06/1158796506.db2.gz KYNOTFMQCPOOJV-NMWPEEMBSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001401833440 1162148880 /nfs/dbraw/zinc/14/88/80/1162148880.db2.gz WJTNAZFUSZFWMH-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)CC)CC1 ZINC001403988979 1163355701 /nfs/dbraw/zinc/35/57/01/1163355701.db2.gz WIJPISCFWAJDGG-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001403988979 1163355708 /nfs/dbraw/zinc/35/57/08/1163355708.db2.gz WIJPISCFWAJDGG-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001441650520 1182113498 /nfs/dbraw/zinc/11/34/98/1182113498.db2.gz KJQRDGHBZZAUDK-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001444823106 1183571874 /nfs/dbraw/zinc/57/18/74/1183571874.db2.gz CPBISGAXWPOWAX-KGLIPLIRSA-N 2 1 324.856 2.312 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001446960641 1184592618 /nfs/dbraw/zinc/59/26/18/1184592618.db2.gz YFTHYMGUESJNLA-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217568 1149836418 /nfs/dbraw/zinc/83/64/18/1149836418.db2.gz IHRRNEIQDYLNKI-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)Cn1ccnc1C(C)C)C(C)C ZINC001332731682 1149885706 /nfs/dbraw/zinc/88/57/06/1149885706.db2.gz DEDZDJFEJOZYAP-UHFFFAOYSA-N 2 1 306.454 2.361 20 30 DEEDMP C=CC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001332731682 1149885709 /nfs/dbraw/zinc/88/57/09/1149885709.db2.gz DEDZDJFEJOZYAP-UHFFFAOYSA-N 2 1 306.454 2.361 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106358312 782669960 /nfs/dbraw/zinc/66/99/60/782669960.db2.gz ZUXVECICGAYFLC-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239780 782810352 /nfs/dbraw/zinc/81/03/52/782810352.db2.gz JXMNEJHLYGQNNL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239780 782810357 /nfs/dbraw/zinc/81/03/57/782810357.db2.gz JXMNEJHLYGQNNL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099240646 782815931 /nfs/dbraw/zinc/81/59/31/782815931.db2.gz UHMAKPMYHLTBBK-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240646 782815933 /nfs/dbraw/zinc/81/59/33/782815933.db2.gz UHMAKPMYHLTBBK-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240646 782815936 /nfs/dbraw/zinc/81/59/36/782815936.db2.gz UHMAKPMYHLTBBK-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552998 783170812 /nfs/dbraw/zinc/17/08/12/783170812.db2.gz YSTAZHOARAUJEO-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726283 783213746 /nfs/dbraw/zinc/21/37/46/783213746.db2.gz LPZCQKZAUNNFDV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726283 783213752 /nfs/dbraw/zinc/21/37/52/783213752.db2.gz LPZCQKZAUNNFDV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726283 783213755 /nfs/dbraw/zinc/21/37/55/783213755.db2.gz LPZCQKZAUNNFDV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726286 783214715 /nfs/dbraw/zinc/21/47/15/783214715.db2.gz LPZCQKZAUNNFDV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726286 783214724 /nfs/dbraw/zinc/21/47/24/783214724.db2.gz LPZCQKZAUNNFDV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726286 783214732 /nfs/dbraw/zinc/21/47/32/783214732.db2.gz LPZCQKZAUNNFDV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310761 777015341 /nfs/dbraw/zinc/01/53/41/777015341.db2.gz HDNYPAYPCGTNGF-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317391 777780776 /nfs/dbraw/zinc/78/07/76/777780776.db2.gz HKHSXODSMATMTK-NJAFHUGGSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529601 778606787 /nfs/dbraw/zinc/60/67/87/778606787.db2.gz HEOCDMFMQICZIZ-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982506001 778843414 /nfs/dbraw/zinc/84/34/14/778843414.db2.gz BSNIXBPBLZBSAE-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1=O ZINC001167973501 779132287 /nfs/dbraw/zinc/13/22/87/779132287.db2.gz MAVWOHPDJPOMMN-FBVQUNGASA-N 2 1 317.477 2.158 20 30 DEEDMP C=CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1=O ZINC001167973501 779132292 /nfs/dbraw/zinc/13/22/92/779132292.db2.gz MAVWOHPDJPOMMN-FBVQUNGASA-N 2 1 317.477 2.158 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171117415 790681454 /nfs/dbraw/zinc/68/14/54/790681454.db2.gz AKRSVLWDANQUJJ-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087660027 779401998 /nfs/dbraw/zinc/40/19/98/779401998.db2.gz ODBZOPZRFWBABW-DLBZAZTESA-N 2 1 312.417 2.493 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696595 779413446 /nfs/dbraw/zinc/41/34/46/779413446.db2.gz CHDJHJWMAYSVFS-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696595 779413452 /nfs/dbraw/zinc/41/34/52/779413452.db2.gz CHDJHJWMAYSVFS-FGTMMUONSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077206 779680983 /nfs/dbraw/zinc/68/09/83/779680983.db2.gz NOSYJDNXSRIAPH-SQNIBIBYSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077206 779680988 /nfs/dbraw/zinc/68/09/88/779680988.db2.gz NOSYJDNXSRIAPH-SQNIBIBYSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077206 779680991 /nfs/dbraw/zinc/68/09/91/779680991.db2.gz NOSYJDNXSRIAPH-SQNIBIBYSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616799 783280276 /nfs/dbraw/zinc/28/02/76/783280276.db2.gz NYUFCRYWSYPFBB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171195872 790937683 /nfs/dbraw/zinc/93/76/83/790937683.db2.gz VJEZYFGKQREGOU-WBAXXEDZSA-N 2 1 313.445 2.460 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732157 783397308 /nfs/dbraw/zinc/39/73/08/783397308.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732157 783397311 /nfs/dbraw/zinc/39/73/11/783397311.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732157 783397315 /nfs/dbraw/zinc/39/73/15/783397315.db2.gz NQYJTLTYASZEDD-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519272 783543707 /nfs/dbraw/zinc/54/37/07/783543707.db2.gz GZKBPIOFEGQMLK-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085225340 783590917 /nfs/dbraw/zinc/59/09/17/783590917.db2.gz RXBJQKADTZPCDX-KZNAEPCWSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114904297 784040752 /nfs/dbraw/zinc/04/07/52/784040752.db2.gz RILCZWBGKRMCSL-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114904297 784040762 /nfs/dbraw/zinc/04/07/62/784040762.db2.gz RILCZWBGKRMCSL-QLPKVWCKSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778641 784066733 /nfs/dbraw/zinc/06/67/33/784066733.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778641 784066741 /nfs/dbraw/zinc/06/67/41/784066741.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778641 784066749 /nfs/dbraw/zinc/06/67/49/784066749.db2.gz CZSSHRHYKACQBA-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001086381735 784633848 /nfs/dbraw/zinc/63/38/48/784633848.db2.gz GNZSADUMJSMAIX-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771702 785299827 /nfs/dbraw/zinc/29/98/27/785299827.db2.gz UXPPYBNRZBGZLU-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771702 785299832 /nfs/dbraw/zinc/29/98/32/785299832.db2.gz UXPPYBNRZBGZLU-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771702 785299839 /nfs/dbraw/zinc/29/98/39/785299839.db2.gz UXPPYBNRZBGZLU-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799268 786059584 /nfs/dbraw/zinc/05/95/84/786059584.db2.gz QQWZDFOROGOWIV-SQNIBIBYSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109964234 786115590 /nfs/dbraw/zinc/11/55/90/786115590.db2.gz GAYIXHPNMWCNJG-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982802 786121125 /nfs/dbraw/zinc/12/11/25/786121125.db2.gz SITNTEBGWGSUHN-YVSFHVDLSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855513 786256402 /nfs/dbraw/zinc/25/64/02/786256402.db2.gz ZPNDRMGJECYACE-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112960491 786328878 /nfs/dbraw/zinc/32/88/78/786328878.db2.gz MGXHTZWYINFRKT-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113019532 786369765 /nfs/dbraw/zinc/36/97/65/786369765.db2.gz SHBHGONGKDYEGW-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019532 786369770 /nfs/dbraw/zinc/36/97/70/786369770.db2.gz SHBHGONGKDYEGW-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156634 786420054 /nfs/dbraw/zinc/42/00/54/786420054.db2.gz PDRZDKRKALKOAK-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001113156634 786420058 /nfs/dbraw/zinc/42/00/58/786420058.db2.gz PDRZDKRKALKOAK-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210874 787967979 /nfs/dbraw/zinc/96/79/79/787967979.db2.gz KMZKNMSBLLPNHE-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265118 787996400 /nfs/dbraw/zinc/99/64/00/787996400.db2.gz IGDLXJJFKNTNMI-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132486273 788100066 /nfs/dbraw/zinc/10/00/66/788100066.db2.gz MRGLPUUIIAGHIW-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132486273 788100072 /nfs/dbraw/zinc/10/00/72/788100072.db2.gz MRGLPUUIIAGHIW-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453035 788153214 /nfs/dbraw/zinc/15/32/14/788153214.db2.gz KYJGQKBUDCMYOU-ZACQAIPSSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132978176 788246164 /nfs/dbraw/zinc/24/61/64/788246164.db2.gz RKRJGTNAJQTKGS-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976774 788246427 /nfs/dbraw/zinc/24/64/27/788246427.db2.gz GQBJSUMSXJUXBB-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000618 788248740 /nfs/dbraw/zinc/24/87/40/788248740.db2.gz FDFNCIIZSHENTF-INIZCTEOSA-N 2 1 320.481 2.430 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170752242 788939431 /nfs/dbraw/zinc/93/94/31/788939431.db2.gz YRUQTEBJPPJLOX-IRXDYDNUSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790805 789087573 /nfs/dbraw/zinc/08/75/73/789087573.db2.gz ITZMMFQDOUXUIS-LSDHHAIUSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135625972 789420844 /nfs/dbraw/zinc/42/08/44/789420844.db2.gz PFZDJWLMKWZDTA-LSDHHAIUSA-N 2 1 306.454 2.456 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690900 789451429 /nfs/dbraw/zinc/45/14/29/789451429.db2.gz LOWTZKXIAOFAPI-IRXDYDNUSA-N 2 1 309.498 2.395 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645463 789837512 /nfs/dbraw/zinc/83/75/12/789837512.db2.gz JPZPAJPNWBSJDG-CVEARBPZSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074686079 791266244 /nfs/dbraw/zinc/26/62/44/791266244.db2.gz NHIQXGXGFITNNQ-ULQDDVLXSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)c3cccc4nccn43)C2)C1 ZINC001147883357 791647170 /nfs/dbraw/zinc/64/71/70/791647170.db2.gz OILCNJIFPXSCJF-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748407 791799396 /nfs/dbraw/zinc/79/93/96/791799396.db2.gz RQDIHTMIVVZZHI-KRWDZBQOSA-N 2 1 321.509 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748407 791799402 /nfs/dbraw/zinc/79/94/02/791799402.db2.gz RQDIHTMIVVZZHI-KRWDZBQOSA-N 2 1 321.509 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748407 791799407 /nfs/dbraw/zinc/79/94/07/791799407.db2.gz RQDIHTMIVVZZHI-KRWDZBQOSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956436 791864002 /nfs/dbraw/zinc/86/40/02/791864002.db2.gz NPBAJJMRQSCKEY-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302276 791974205 /nfs/dbraw/zinc/97/42/05/791974205.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302276 791974208 /nfs/dbraw/zinc/97/42/08/791974208.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302276 791974209 /nfs/dbraw/zinc/97/42/09/791974209.db2.gz WNTLZOHQNBPWTD-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001099027706 792045952 /nfs/dbraw/zinc/04/59/52/792045952.db2.gz QLILXJZWABOIOT-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099027706 792045962 /nfs/dbraw/zinc/04/59/62/792045962.db2.gz QLILXJZWABOIOT-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099027706 792045971 /nfs/dbraw/zinc/04/59/71/792045971.db2.gz QLILXJZWABOIOT-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906991 792168474 /nfs/dbraw/zinc/16/84/74/792168474.db2.gz OPEGEFVFKGMZJK-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906991 792168482 /nfs/dbraw/zinc/16/84/82/792168482.db2.gz OPEGEFVFKGMZJK-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906991 792168487 /nfs/dbraw/zinc/16/84/87/792168487.db2.gz OPEGEFVFKGMZJK-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496806 792223328 /nfs/dbraw/zinc/22/33/28/792223328.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496806 792223333 /nfs/dbraw/zinc/22/33/33/792223333.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496806 792223339 /nfs/dbraw/zinc/22/33/39/792223339.db2.gz LSQFXHIRZBYPPA-NXOAAHMSSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539142 792234297 /nfs/dbraw/zinc/23/42/97/792234297.db2.gz ZJIIKLWMTNWINW-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137145 792250115 /nfs/dbraw/zinc/25/01/15/792250115.db2.gz PYEHBUANAONDII-HUUCEWRRSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137145 792250119 /nfs/dbraw/zinc/25/01/19/792250119.db2.gz PYEHBUANAONDII-HUUCEWRRSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171539374 793113609 /nfs/dbraw/zinc/11/36/09/793113609.db2.gz TZRUBCGLUANCKT-LSDHHAIUSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443968 793164586 /nfs/dbraw/zinc/16/45/86/793164586.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443968 793164592 /nfs/dbraw/zinc/16/45/92/793164592.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443968 793164596 /nfs/dbraw/zinc/16/45/96/793164596.db2.gz RNQDXBYZJDUTBX-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP COCCN1CCOC[C@@]2(CCC[N@H+]([C@H](C)CCCC#N)C2)C1 ZINC001172496731 793437796 /nfs/dbraw/zinc/43/77/96/793437796.db2.gz PMVFWWWMFNMBBW-MSOLQXFVSA-N 2 1 323.481 2.130 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357962 793584997 /nfs/dbraw/zinc/58/49/97/793584997.db2.gz PNTPKLPDNJEAQL-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185556 793974562 /nfs/dbraw/zinc/97/45/62/793974562.db2.gz CXQRNABXQCJMKE-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658576 794450683 /nfs/dbraw/zinc/45/06/83/794450683.db2.gz GQNVKFPHFDLKTA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658576 794450686 /nfs/dbraw/zinc/45/06/86/794450686.db2.gz GQNVKFPHFDLKTA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658576 794450690 /nfs/dbraw/zinc/45/06/90/794450690.db2.gz GQNVKFPHFDLKTA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658576 794450694 /nfs/dbraw/zinc/45/06/94/794450694.db2.gz GQNVKFPHFDLKTA-JZXOWHBKSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178633827 794961635 /nfs/dbraw/zinc/96/16/35/794961635.db2.gz GUXZNNXBMGRTKV-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178722837 794973435 /nfs/dbraw/zinc/97/34/35/794973435.db2.gz QDPXXXHZUIZCIY-ROUUACIJSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC ZINC001178722837 794973439 /nfs/dbraw/zinc/97/34/39/794973439.db2.gz QDPXXXHZUIZCIY-ROUUACIJSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698565 794980364 /nfs/dbraw/zinc/98/03/64/794980364.db2.gz LYIDOQAKNBAJIQ-MRXNPFEDSA-N 2 1 316.449 2.050 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178915350 795029926 /nfs/dbraw/zinc/02/99/26/795029926.db2.gz HEPVGGZZZKCLMD-QGZVFWFLSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180375769 795285721 /nfs/dbraw/zinc/28/57/21/795285721.db2.gz QXMBWFQCJGGGEC-SFHVURJKSA-N 2 1 315.461 2.189 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369373 795291479 /nfs/dbraw/zinc/29/14/79/795291479.db2.gz BGUWSYTUSBPWLE-UHFFFAOYSA-N 2 1 303.878 2.345 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120190094 795419758 /nfs/dbraw/zinc/41/97/58/795419758.db2.gz ROCUUDHFFWRLFI-CALCHBBNSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441529 795480076 /nfs/dbraw/zinc/48/00/76/795480076.db2.gz QCSPCFSTKOITCR-SOLBZPMBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720416 795524505 /nfs/dbraw/zinc/52/45/05/795524505.db2.gz CVRQQGKNSOKBSQ-ZHALLVOQSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720417 795524660 /nfs/dbraw/zinc/52/46/60/795524660.db2.gz CVRQQGKNSOKBSQ-ZIFCJYIRSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121768002 795685140 /nfs/dbraw/zinc/68/51/40/795685140.db2.gz UXRSMRQCNXRQLS-JFPDKAJLSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629318 795714770 /nfs/dbraw/zinc/71/47/70/795714770.db2.gz COBLKOMOOXJDEV-ZHALLVOQSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101231 795725835 /nfs/dbraw/zinc/72/58/35/795725835.db2.gz ITTWPPSXAPZDSV-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177690 795732777 /nfs/dbraw/zinc/73/27/77/795732777.db2.gz IEYJHAHBTVOECJ-YCTIJVIUSA-N 2 1 319.493 2.310 20 30 DEEDMP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001139869215 796438635 /nfs/dbraw/zinc/43/86/35/796438635.db2.gz AYRGWNJODWVMFZ-HNNXBMFYSA-N 2 1 306.454 2.363 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001139869215 796438637 /nfs/dbraw/zinc/43/86/37/796438637.db2.gz AYRGWNJODWVMFZ-HNNXBMFYSA-N 2 1 306.454 2.363 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187090575 796487079 /nfs/dbraw/zinc/48/70/79/796487079.db2.gz CLQBFJPOIOZIOC-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135868 796773566 /nfs/dbraw/zinc/77/35/66/796773566.db2.gz QGPFXYLJLOXTMX-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135868 796773570 /nfs/dbraw/zinc/77/35/70/796773570.db2.gz QGPFXYLJLOXTMX-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135868 796773573 /nfs/dbraw/zinc/77/35/73/796773573.db2.gz QGPFXYLJLOXTMX-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633440 797232943 /nfs/dbraw/zinc/23/29/43/797232943.db2.gz QTEQTDKZJLKUHT-CVEARBPZSA-N 2 1 304.438 2.161 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407168 797386914 /nfs/dbraw/zinc/38/69/14/797386914.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192407168 797386908 /nfs/dbraw/zinc/38/69/08/797386908.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192407168 797386922 /nfs/dbraw/zinc/38/69/22/797386922.db2.gz RYRZWOPJUGCCJG-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153802233 797399677 /nfs/dbraw/zinc/39/96/77/797399677.db2.gz FYUSBCANWURTBL-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153802233 797399684 /nfs/dbraw/zinc/39/96/84/797399684.db2.gz FYUSBCANWURTBL-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153802233 797399692 /nfs/dbraw/zinc/39/96/92/797399692.db2.gz FYUSBCANWURTBL-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193381945 797556638 /nfs/dbraw/zinc/55/66/38/797556638.db2.gz CLWINHGAMMNSHG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193381945 797556642 /nfs/dbraw/zinc/55/66/42/797556642.db2.gz CLWINHGAMMNSHG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193381945 797556647 /nfs/dbraw/zinc/55/66/47/797556647.db2.gz CLWINHGAMMNSHG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071322 797673203 /nfs/dbraw/zinc/67/32/03/797673203.db2.gz FSEJMANABJWIAB-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195817378 797960288 /nfs/dbraw/zinc/96/02/88/797960288.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195817378 797960293 /nfs/dbraw/zinc/96/02/93/797960293.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195817378 797960294 /nfs/dbraw/zinc/96/02/94/797960294.db2.gz PWNYDALBKWYXRO-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465890 798005841 /nfs/dbraw/zinc/00/58/41/798005841.db2.gz GZSGXTNWGYENSX-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156465890 798005846 /nfs/dbraw/zinc/00/58/46/798005846.db2.gz GZSGXTNWGYENSX-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149571 798155008 /nfs/dbraw/zinc/15/50/08/798155008.db2.gz BLSKISAWGXKURQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001197149571 798155011 /nfs/dbraw/zinc/15/50/11/798155011.db2.gz BLSKISAWGXKURQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001197149571 798155012 /nfs/dbraw/zinc/15/50/12/798155012.db2.gz BLSKISAWGXKURQ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699351 798724455 /nfs/dbraw/zinc/72/44/55/798724455.db2.gz HIJPBSGKVRBVTO-UHFFFAOYSA-N 2 1 322.412 2.110 20 30 DEEDMP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001161496776 798870494 /nfs/dbraw/zinc/87/04/94/798870494.db2.gz GLBJSJGLDQBSHH-UHFFFAOYSA-N 2 1 319.493 2.270 20 30 DEEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496776 798870499 /nfs/dbraw/zinc/87/04/99/798870499.db2.gz GLBJSJGLDQBSHH-UHFFFAOYSA-N 2 1 319.493 2.270 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496776 798870505 /nfs/dbraw/zinc/87/05/05/798870505.db2.gz GLBJSJGLDQBSHH-UHFFFAOYSA-N 2 1 319.493 2.270 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953353 798978539 /nfs/dbraw/zinc/97/85/39/798978539.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953353 798978543 /nfs/dbraw/zinc/97/85/43/798978543.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953353 798978546 /nfs/dbraw/zinc/97/85/46/798978546.db2.gz SYRCOQQISXDODD-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP Cc1ccc(CC#N)c(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)[nH+]1 ZINC001163136559 799258044 /nfs/dbraw/zinc/25/80/44/799258044.db2.gz YQHQZAMXWPAKGJ-UHFFFAOYSA-N 2 1 309.417 2.002 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202771612 799486681 /nfs/dbraw/zinc/48/66/81/799486681.db2.gz IWKNQIUMMVZTOV-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956435 799795634 /nfs/dbraw/zinc/79/56/34/799795634.db2.gz IYTPJSHQBKIGRP-OAGGEKHMSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699589 799924995 /nfs/dbraw/zinc/92/49/95/799924995.db2.gz RTOCBECDFAINJD-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493349 800060888 /nfs/dbraw/zinc/06/08/88/800060888.db2.gz UDDGJNQOXZYXKG-CVEARBPZSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547394 800775678 /nfs/dbraw/zinc/77/56/78/800775678.db2.gz VDGOQQXNZAEIIB-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547394 800775684 /nfs/dbraw/zinc/77/56/84/800775684.db2.gz VDGOQQXNZAEIIB-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014485 800894131 /nfs/dbraw/zinc/89/41/31/800894131.db2.gz QRXJUPNUTBHXHK-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP [NH3+]CCN1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001209976650 801316401 /nfs/dbraw/zinc/31/64/01/801316401.db2.gz VZENNSHLUREWLN-UHFFFAOYSA-N 2 1 319.452 2.163 20 30 DEEDMP N#Cc1ccc(Cl)nc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262695 801361196 /nfs/dbraw/zinc/36/11/96/801361196.db2.gz NQTDTRRAKYAGDL-UHFFFAOYSA-N 2 1 314.780 2.155 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633487 801435951 /nfs/dbraw/zinc/43/59/51/801435951.db2.gz DPPISYLKLAPEOG-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214667906 801745985 /nfs/dbraw/zinc/74/59/85/801745985.db2.gz HGISIVDKXMYCOS-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872943 802622143 /nfs/dbraw/zinc/62/21/43/802622143.db2.gz LCMCAIAOZPMQJG-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872943 802622145 /nfs/dbraw/zinc/62/21/45/802622145.db2.gz LCMCAIAOZPMQJG-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)COc1ccccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497379 802694888 /nfs/dbraw/zinc/69/48/88/802694888.db2.gz GVZKEEDCRGKNMR-ROUUACIJSA-N 2 1 315.461 2.167 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512264 802797459 /nfs/dbraw/zinc/79/74/59/802797459.db2.gz DLAINUYEXMOKHZ-IKGGRYGDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223721993 802811517 /nfs/dbraw/zinc/81/15/17/802811517.db2.gz OKGDVJFKPCATCE-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001227224705 803217984 /nfs/dbraw/zinc/21/79/84/803217984.db2.gz HAPRCCALIPDGAY-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001417962201 1167330184 /nfs/dbraw/zinc/33/01/84/1167330184.db2.gz YVSQXHUAUWJYRU-AWEZNQCLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CCCC1 ZINC001500094607 1058487309 /nfs/dbraw/zinc/48/73/09/1058487309.db2.gz DAHIFWXVGAWRMP-QGZVFWFLSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001501420043 1059502151 /nfs/dbraw/zinc/50/21/51/1059502151.db2.gz ZOMBPHKINJSOAN-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001501420043 1059502167 /nfs/dbraw/zinc/50/21/67/1059502167.db2.gz ZOMBPHKINJSOAN-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001501420043 1059502183 /nfs/dbraw/zinc/50/21/83/1059502183.db2.gz ZOMBPHKINJSOAN-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC001502029374 1059885446 /nfs/dbraw/zinc/88/54/46/1059885446.db2.gz VURBKEVEVCDINT-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502125898 1059967836 /nfs/dbraw/zinc/96/78/36/1059967836.db2.gz MNXXTFDIEKCYOP-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456568 1060625016 /nfs/dbraw/zinc/62/50/16/1060625016.db2.gz YGWVJTIQRXULGB-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456568 1060625030 /nfs/dbraw/zinc/62/50/30/1060625030.db2.gz YGWVJTIQRXULGB-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505456568 1060625048 /nfs/dbraw/zinc/62/50/48/1060625048.db2.gz YGWVJTIQRXULGB-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505456568 1060625054 /nfs/dbraw/zinc/62/50/54/1060625054.db2.gz YGWVJTIQRXULGB-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C#CCC[NH2+]CC1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001505505932 1060665154 /nfs/dbraw/zinc/66/51/54/1060665154.db2.gz BLVDVAGKUIWVOZ-UHFFFAOYSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001506176798 1061712985 /nfs/dbraw/zinc/71/29/85/1061712985.db2.gz IDNAVZXYTGPTHQ-ROUUACIJSA-N 2 1 321.509 2.345 20 30 DEEDMP C=CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001479994411 1062158467 /nfs/dbraw/zinc/15/84/67/1062158467.db2.gz OGBJDWDGGAXOHL-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001480143674 1062384256 /nfs/dbraw/zinc/38/42/56/1062384256.db2.gz IJZTWRONWMDSMF-LUKYLMHMSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507014922 1062677003 /nfs/dbraw/zinc/67/70/03/1062677003.db2.gz KKLJFBSMIZBGSS-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001508060235 1063525458 /nfs/dbraw/zinc/52/54/58/1063525458.db2.gz ZOZYXSUYAFJVRC-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001493979404 1064058315 /nfs/dbraw/zinc/05/83/15/1064058315.db2.gz YHABJTCSQMMQBJ-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001567347705 1064153554 /nfs/dbraw/zinc/15/35/54/1064153554.db2.gz MQZQTZGFDMFWSA-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001567347705 1064153558 /nfs/dbraw/zinc/15/35/58/1064153558.db2.gz MQZQTZGFDMFWSA-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567419231 1064191474 /nfs/dbraw/zinc/19/14/74/1064191474.db2.gz KKOKSWDPAPYZLX-IAGOWNOFSA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567419231 1064191479 /nfs/dbraw/zinc/19/14/79/1064191479.db2.gz KKOKSWDPAPYZLX-IAGOWNOFSA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567419231 1064191484 /nfs/dbraw/zinc/19/14/84/1064191484.db2.gz KKOKSWDPAPYZLX-IAGOWNOFSA-N 2 1 309.498 2.347 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001567625332 1064287340 /nfs/dbraw/zinc/28/73/40/1064287340.db2.gz SJTZRPQKHLLXGZ-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660318 1064324066 /nfs/dbraw/zinc/32/40/66/1064324066.db2.gz YDXMLQXWVDOFJH-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752387 1064403831 /nfs/dbraw/zinc/40/38/31/1064403831.db2.gz QOKJXBJCJHALFS-FUHWJXTLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567752387 1064403834 /nfs/dbraw/zinc/40/38/34/1064403834.db2.gz QOKJXBJCJHALFS-FUHWJXTLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567752387 1064403840 /nfs/dbraw/zinc/40/38/40/1064403840.db2.gz QOKJXBJCJHALFS-FUHWJXTLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001494834779 1064497329 /nfs/dbraw/zinc/49/73/29/1064497329.db2.gz RPHPJBQHGJEENS-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001494834779 1064497336 /nfs/dbraw/zinc/49/73/36/1064497336.db2.gz RPHPJBQHGJEENS-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001494834779 1064497342 /nfs/dbraw/zinc/49/73/42/1064497342.db2.gz RPHPJBQHGJEENS-MRXNPFEDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568274390 1064746924 /nfs/dbraw/zinc/74/69/24/1064746924.db2.gz UYJUPEMYWOGXHJ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001568294937 1064759437 /nfs/dbraw/zinc/75/94/37/1064759437.db2.gz KYFLVDGXVQBULS-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001495278340 1064803379 /nfs/dbraw/zinc/80/33/79/1064803379.db2.gz HPLDKOWUWMSFFK-VQIMIIECSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001568379728 1064823475 /nfs/dbraw/zinc/82/34/75/1064823475.db2.gz VKCQVXYULXAWOJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001495388554 1064874480 /nfs/dbraw/zinc/87/44/80/1064874480.db2.gz RKVKRWPCETWCEE-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001568501495 1064916433 /nfs/dbraw/zinc/91/64/33/1064916433.db2.gz OBPDDOKWKAOWJC-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001568501495 1064916447 /nfs/dbraw/zinc/91/64/47/1064916447.db2.gz OBPDDOKWKAOWJC-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001568501495 1064916459 /nfs/dbraw/zinc/91/64/59/1064916459.db2.gz OBPDDOKWKAOWJC-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001495554794 1064980975 /nfs/dbraw/zinc/98/09/75/1064980975.db2.gz WIPDBPMCJOTSLS-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568632714 1065009017 /nfs/dbraw/zinc/00/90/17/1065009017.db2.gz PDNAPUKTWPLMII-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001495743746 1065087314 /nfs/dbraw/zinc/08/73/14/1065087314.db2.gz SHPSRLPYCGEKHX-GOEBONIOSA-N 2 1 318.465 2.062 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001569466499 1065524334 /nfs/dbraw/zinc/52/43/34/1065524334.db2.gz BIJZKIFWPFXPQZ-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001569466499 1065524344 /nfs/dbraw/zinc/52/43/44/1065524344.db2.gz BIJZKIFWPFXPQZ-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001569466499 1065524355 /nfs/dbraw/zinc/52/43/55/1065524355.db2.gz BIJZKIFWPFXPQZ-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001569724530 1065691039 /nfs/dbraw/zinc/69/10/39/1065691039.db2.gz YWZIESWGELQEHM-MOPGFXCFSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001569724530 1065691048 /nfs/dbraw/zinc/69/10/48/1065691048.db2.gz YWZIESWGELQEHM-MOPGFXCFSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001569724530 1065691051 /nfs/dbraw/zinc/69/10/51/1065691051.db2.gz YWZIESWGELQEHM-MOPGFXCFSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001569819523 1065738942 /nfs/dbraw/zinc/73/89/42/1065738942.db2.gz ASCHKQREHGZZOM-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001569884338 1065791670 /nfs/dbraw/zinc/79/16/70/1065791670.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001569884338 1065791681 /nfs/dbraw/zinc/79/16/81/1065791681.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001569884338 1065791695 /nfs/dbraw/zinc/79/16/95/1065791695.db2.gz QUJRBWOSJSCBDA-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570502883 1066097483 /nfs/dbraw/zinc/09/74/83/1066097483.db2.gz OJIXYYLHQDGLPU-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381368 1066668352 /nfs/dbraw/zinc/66/83/52/1066668352.db2.gz PEKHLCFKSNBVPE-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381368 1066668359 /nfs/dbraw/zinc/66/83/59/1066668359.db2.gz PEKHLCFKSNBVPE-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001483562235 1078599330 /nfs/dbraw/zinc/59/93/30/1078599330.db2.gz BWTUOYDYGYNLAZ-GVDBMIGSSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001483565003 1078600520 /nfs/dbraw/zinc/60/05/20/1078600520.db2.gz ANHKYHFSJJEADQ-ROUUACIJSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001483584162 1078612227 /nfs/dbraw/zinc/61/22/27/1078612227.db2.gz VXSJBZZCJZUILQ-ROUUACIJSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001267169502 1078633896 /nfs/dbraw/zinc/63/38/96/1078633896.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(=C)C ZINC001267169502 1078633902 /nfs/dbraw/zinc/63/39/02/1078633902.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001267169502 1078633907 /nfs/dbraw/zinc/63/39/07/1078633907.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=C)C ZINC001267169502 1078633909 /nfs/dbraw/zinc/63/39/09/1078633909.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=C)C ZINC001267169502 1078633913 /nfs/dbraw/zinc/63/39/13/1078633913.db2.gz QJNCFBUZIPTGHX-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267177913 1078641893 /nfs/dbraw/zinc/64/18/93/1078641893.db2.gz ZJMMHOUSGOMGLE-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001571368285 1068253165 /nfs/dbraw/zinc/25/31/65/1068253165.db2.gz ANRQORDUMGUPOZ-INIZCTEOSA-N 2 1 318.465 2.409 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001571526333 1068396058 /nfs/dbraw/zinc/39/60/58/1068396058.db2.gz FGMQYDVOZJZFDR-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001571558691 1068420296 /nfs/dbraw/zinc/42/02/96/1068420296.db2.gz OYOUMSFWTOFLNK-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001267328519 1078768615 /nfs/dbraw/zinc/76/86/15/1078768615.db2.gz YRXTYJZDHDXYMO-UHFFFAOYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483698692 1078819164 /nfs/dbraw/zinc/81/91/64/1078819164.db2.gz UNXWIDPFFRXESC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267459764 1078868395 /nfs/dbraw/zinc/86/83/95/1078868395.db2.gz MPORELOMBTVAGA-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267460461 1078869746 /nfs/dbraw/zinc/86/97/46/1078869746.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267460461 1078869757 /nfs/dbraw/zinc/86/97/57/1078869757.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267460461 1078869768 /nfs/dbraw/zinc/86/97/68/1078869768.db2.gz VUMJCVACXNNPBI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267556869 1078989635 /nfs/dbraw/zinc/98/96/35/1078989635.db2.gz VUBBAADFZWYORQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267556869 1078989641 /nfs/dbraw/zinc/98/96/41/1078989641.db2.gz VUBBAADFZWYORQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267556869 1078989645 /nfs/dbraw/zinc/98/96/45/1078989645.db2.gz VUBBAADFZWYORQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267590020 1079100748 /nfs/dbraw/zinc/10/07/48/1079100748.db2.gz ORVAXOUNLKSIFZ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590020 1079100751 /nfs/dbraw/zinc/10/07/51/1079100751.db2.gz ORVAXOUNLKSIFZ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590020 1079100752 /nfs/dbraw/zinc/10/07/52/1079100752.db2.gz ORVAXOUNLKSIFZ-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674041 1079110841 /nfs/dbraw/zinc/11/08/41/1079110841.db2.gz TZROKSXPKGGPBW-SFHVURJKSA-N 2 1 310.401 2.316 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674041 1079110843 /nfs/dbraw/zinc/11/08/43/1079110843.db2.gz TZROKSXPKGGPBW-SFHVURJKSA-N 2 1 310.401 2.316 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483803082 1079130692 /nfs/dbraw/zinc/13/06/92/1079130692.db2.gz ZEWKODPSDBYBHV-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001565835647 1075193508 /nfs/dbraw/zinc/19/35/08/1075193508.db2.gz QSIXKMRENLCGDB-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001565835647 1075193516 /nfs/dbraw/zinc/19/35/16/1075193516.db2.gz QSIXKMRENLCGDB-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001565835647 1075193523 /nfs/dbraw/zinc/19/35/23/1075193523.db2.gz QSIXKMRENLCGDB-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001565856859 1075198215 /nfs/dbraw/zinc/19/82/15/1075198215.db2.gz UWODPXBMBBJVBQ-JQHSSLGASA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001565921133 1075205711 /nfs/dbraw/zinc/20/57/11/1075205711.db2.gz AFPDRHKCHVEIBR-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001565921132 1075206055 /nfs/dbraw/zinc/20/60/55/1075206055.db2.gz AFPDRHKCHVEIBR-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001566020301 1075217088 /nfs/dbraw/zinc/21/70/88/1075217088.db2.gz HCBYKLSIPAHAOF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566123877 1075232908 /nfs/dbraw/zinc/23/29/08/1075232908.db2.gz ZFKPADKDGKFIKM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566123877 1075232911 /nfs/dbraw/zinc/23/29/11/1075232911.db2.gz ZFKPADKDGKFIKM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001566123877 1075232914 /nfs/dbraw/zinc/23/29/14/1075232914.db2.gz ZFKPADKDGKFIKM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001566590231 1075290937 /nfs/dbraw/zinc/29/09/37/1075290937.db2.gz LHNWGZWWTQZUQJ-UHFFFAOYSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001566623005 1075298867 /nfs/dbraw/zinc/29/88/67/1075298867.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001566623005 1075298870 /nfs/dbraw/zinc/29/88/70/1075298870.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001566623005 1075298878 /nfs/dbraw/zinc/29/88/78/1075298878.db2.gz FMQLYIZYLOEFHK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001566854938 1075363228 /nfs/dbraw/zinc/36/32/28/1075363228.db2.gz UAQPLBMYEGXMAR-YVSFHVDLSA-N 2 1 305.466 2.206 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCC)C1 ZINC001566895984 1075377259 /nfs/dbraw/zinc/37/72/59/1075377259.db2.gz UEVBKEDVCOIZPB-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCCC)C1 ZINC001566895984 1075377264 /nfs/dbraw/zinc/37/72/64/1075377264.db2.gz UEVBKEDVCOIZPB-ROUUACIJSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967314 1075403421 /nfs/dbraw/zinc/40/34/21/1075403421.db2.gz LGLOSQLICUEPRD-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967314 1075403426 /nfs/dbraw/zinc/40/34/26/1075403426.db2.gz LGLOSQLICUEPRD-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567192102 1075458200 /nfs/dbraw/zinc/45/82/00/1075458200.db2.gz TXPPHPIWUFUIFH-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567192102 1075458204 /nfs/dbraw/zinc/45/82/04/1075458204.db2.gz TXPPHPIWUFUIFH-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567192102 1075458211 /nfs/dbraw/zinc/45/82/11/1075458211.db2.gz TXPPHPIWUFUIFH-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567193144 1075459998 /nfs/dbraw/zinc/45/99/98/1075459998.db2.gz OBEDLPXQCVVQSI-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001267729809 1079421468 /nfs/dbraw/zinc/42/14/68/1079421468.db2.gz GVHBFVQVZZJTIP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001267729809 1079421471 /nfs/dbraw/zinc/42/14/71/1079421471.db2.gz GVHBFVQVZZJTIP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001267729809 1079421473 /nfs/dbraw/zinc/42/14/73/1079421473.db2.gz GVHBFVQVZZJTIP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001267758989 1079460975 /nfs/dbraw/zinc/46/09/75/1079460975.db2.gz UXJNDFAQKJKYQC-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267764745 1079468775 /nfs/dbraw/zinc/46/87/75/1079468775.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267764745 1079468780 /nfs/dbraw/zinc/46/87/80/1079468780.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267764745 1079468785 /nfs/dbraw/zinc/46/87/85/1079468785.db2.gz YMDKGQXAZNYKSH-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CCC)CCCC[C@@H]1C ZINC001267873799 1079560546 /nfs/dbraw/zinc/56/05/46/1079560546.db2.gz LTOHRASKNJOXHX-WMZOPIPTSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267898948 1079585452 /nfs/dbraw/zinc/58/54/52/1079585452.db2.gz YEQQXQXYCFXUAF-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H](C)C1 ZINC001671250911 1079639498 /nfs/dbraw/zinc/63/94/98/1079639498.db2.gz GBLHJKAUGKTUPQ-IRXDYDNUSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001484616364 1079688290 /nfs/dbraw/zinc/68/82/90/1079688290.db2.gz NOQZTPQTXVGUTO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484618275 1079689177 /nfs/dbraw/zinc/68/91/77/1079689177.db2.gz NBJPYYYIEDBDFT-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001484728668 1079752390 /nfs/dbraw/zinc/75/23/90/1079752390.db2.gz SZPIZFGEVLPPGU-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484819686 1079813390 /nfs/dbraw/zinc/81/33/90/1079813390.db2.gz TXCQNRZIZSJFLL-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485029139 1079923121 /nfs/dbraw/zinc/92/31/21/1079923121.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001485029139 1079923110 /nfs/dbraw/zinc/92/31/10/1079923110.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001485029139 1079923114 /nfs/dbraw/zinc/92/31/14/1079923114.db2.gz IIQQCKSBBKIVNP-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001268045087 1079930238 /nfs/dbraw/zinc/93/02/38/1079930238.db2.gz QCTLAJMOAKBNPU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485067178 1079944891 /nfs/dbraw/zinc/94/48/91/1079944891.db2.gz IZMWMCCRRNOFST-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001485067178 1079944896 /nfs/dbraw/zinc/94/48/96/1079944896.db2.gz IZMWMCCRRNOFST-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001485067178 1079944900 /nfs/dbraw/zinc/94/49/00/1079944900.db2.gz IZMWMCCRRNOFST-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001656108942 1080044669 /nfs/dbraw/zinc/04/46/69/1080044669.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001656108942 1080044677 /nfs/dbraw/zinc/04/46/77/1080044677.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001656108942 1080044684 /nfs/dbraw/zinc/04/46/84/1080044684.db2.gz AOHYDLMOVLUHMI-DLBZAZTESA-N 2 1 309.498 2.441 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001656321321 1080078139 /nfs/dbraw/zinc/07/81/39/1080078139.db2.gz JEGHTDMHBYJBAD-HYVNUMGLSA-N 2 1 318.465 2.421 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001485311823 1080131926 /nfs/dbraw/zinc/13/19/26/1080131926.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCC1 ZINC001485311823 1080131931 /nfs/dbraw/zinc/13/19/31/1080131931.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCC1 ZINC001485311823 1080131937 /nfs/dbraw/zinc/13/19/37/1080131937.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1 ZINC001485311823 1080131943 /nfs/dbraw/zinc/13/19/43/1080131943.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001485311823 1080131947 /nfs/dbraw/zinc/13/19/47/1080131947.db2.gz BUQKQEAESPHIRC-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001657079477 1080153994 /nfs/dbraw/zinc/15/39/94/1080153994.db2.gz FWVRUSUGNJNYSL-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001268200785 1080187304 /nfs/dbraw/zinc/18/73/04/1080187304.db2.gz AMCJLACPCNQORI-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001268200785 1080187308 /nfs/dbraw/zinc/18/73/08/1080187308.db2.gz AMCJLACPCNQORI-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001268200785 1080187311 /nfs/dbraw/zinc/18/73/11/1080187311.db2.gz AMCJLACPCNQORI-UHFFFAOYSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485570365 1080303427 /nfs/dbraw/zinc/30/34/27/1080303427.db2.gz BUMXYWRYAVDVAU-GJZGRUSLSA-N 2 1 313.461 2.069 20 30 DEEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268366613 1080377902 /nfs/dbraw/zinc/37/79/02/1080377902.db2.gz NZMTXSHTICKTPA-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001481734104 1080405750 /nfs/dbraw/zinc/40/57/50/1080405750.db2.gz DDUFXEWVJSZKGY-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001660859373 1080409455 /nfs/dbraw/zinc/40/94/55/1080409455.db2.gz LQPLYFORLVNOFM-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753352 1080441081 /nfs/dbraw/zinc/44/10/81/1080441081.db2.gz SVYNURZWHOJDEC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539144 1080464879 /nfs/dbraw/zinc/46/48/79/1080464879.db2.gz ZJIIKLWMTNWINW-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001661752629 1080518485 /nfs/dbraw/zinc/51/84/85/1080518485.db2.gz NGNGBNKZVUHVLN-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001663399704 1080741948 /nfs/dbraw/zinc/74/19/48/1080741948.db2.gz FAVYQDMEAFNRMF-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001663498116 1080757362 /nfs/dbraw/zinc/75/73/62/1080757362.db2.gz OMTSBVGPHCCUKQ-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001663498116 1080757371 /nfs/dbraw/zinc/75/73/71/1080757371.db2.gz OMTSBVGPHCCUKQ-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001664667900 1080939680 /nfs/dbraw/zinc/93/96/80/1080939680.db2.gz SBTBZHOSRICQKT-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001664667900 1080939683 /nfs/dbraw/zinc/93/96/83/1080939683.db2.gz SBTBZHOSRICQKT-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001664667900 1080939687 /nfs/dbraw/zinc/93/96/87/1080939687.db2.gz SBTBZHOSRICQKT-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739650 1080952164 /nfs/dbraw/zinc/95/21/64/1080952164.db2.gz CBKINIWEDLQZJE-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755815 1080955775 /nfs/dbraw/zinc/95/57/75/1080955775.db2.gz YTNRNLWHXRIHII-IRXDYDNUSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001664806674 1080963439 /nfs/dbraw/zinc/96/34/39/1080963439.db2.gz IZNAQOWFWNMIAY-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665545647 1081038762 /nfs/dbraw/zinc/03/87/62/1081038762.db2.gz IQZRLGCXQQYECP-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665545647 1081038770 /nfs/dbraw/zinc/03/87/70/1081038770.db2.gz IQZRLGCXQQYECP-LSDHHAIUSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001667262430 1081231651 /nfs/dbraw/zinc/23/16/51/1081231651.db2.gz KNEWBLZWRPMARP-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668321107 1081341241 /nfs/dbraw/zinc/34/12/41/1081341241.db2.gz WRQUUJMURYLQHE-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001269839370 1081378813 /nfs/dbraw/zinc/37/88/13/1081378813.db2.gz PAYADHKJNUAHTI-JYJNAYRXSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001270050919 1081438542 /nfs/dbraw/zinc/43/85/42/1081438542.db2.gz RKBRWAUDYLLUGE-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001270798278 1081715988 /nfs/dbraw/zinc/71/59/88/1081715988.db2.gz AOTRNGZDLZTEMP-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001673651719 1081789119 /nfs/dbraw/zinc/78/91/19/1081789119.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673651719 1081789125 /nfs/dbraw/zinc/78/91/25/1081789125.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001673651719 1081789131 /nfs/dbraw/zinc/78/91/31/1081789131.db2.gz ZMDHRDCRIVXGNR-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001280356300 1081877607 /nfs/dbraw/zinc/87/76/07/1081877607.db2.gz CDCYFPIETONWPN-YJBOKZPZSA-N 2 1 315.461 2.481 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482451250 1081889015 /nfs/dbraw/zinc/88/90/15/1081889015.db2.gz STHCWQJUKIXZIB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001271103152 1081910166 /nfs/dbraw/zinc/91/01/66/1081910166.db2.gz VUGADQIIKQXUOL-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001482469961 1081943867 /nfs/dbraw/zinc/94/38/67/1081943867.db2.gz FRYYZCVMTIMLNB-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001266363158 1082000438 /nfs/dbraw/zinc/00/04/38/1082000438.db2.gz FMUQNFRVXZCLQS-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2C(C)C)C1 ZINC001266469722 1082056964 /nfs/dbraw/zinc/05/69/64/1082056964.db2.gz QXGNSIOWLVDGHO-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001266469722 1082056967 /nfs/dbraw/zinc/05/69/67/1082056967.db2.gz QXGNSIOWLVDGHO-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001266469722 1082056973 /nfs/dbraw/zinc/05/69/73/1082056973.db2.gz QXGNSIOWLVDGHO-INIZCTEOSA-N 2 1 318.465 2.363 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001271673538 1082105201 /nfs/dbraw/zinc/10/52/01/1082105201.db2.gz IPZYBVAJMWBLFH-CVEARBPZSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271673539 1082105373 /nfs/dbraw/zinc/10/53/73/1082105373.db2.gz IPZYBVAJMWBLFH-HOTGVXAUSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001271737271 1082139425 /nfs/dbraw/zinc/13/94/25/1082139425.db2.gz ZMSWPWQUYRNEBO-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001271737271 1082139427 /nfs/dbraw/zinc/13/94/27/1082139427.db2.gz ZMSWPWQUYRNEBO-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001271737271 1082139430 /nfs/dbraw/zinc/13/94/30/1082139430.db2.gz ZMSWPWQUYRNEBO-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001670842413 1082410348 /nfs/dbraw/zinc/41/03/48/1082410348.db2.gz DJCRYGCEKFWRPW-INIZCTEOSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266874437 1082422320 /nfs/dbraw/zinc/42/23/20/1082422320.db2.gz LOJDLTPWEYACGN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCCC)CC1 ZINC001266911494 1082449153 /nfs/dbraw/zinc/44/91/53/1082449153.db2.gz IESYUYLKOGJASQ-ABHNRTSZSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCCC)CC1 ZINC001266911494 1082449160 /nfs/dbraw/zinc/44/91/60/1082449160.db2.gz IESYUYLKOGJASQ-ABHNRTSZSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001482864264 1082535106 /nfs/dbraw/zinc/53/51/06/1082535106.db2.gz HZAJIOZKYULMAC-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495575 1083434660 /nfs/dbraw/zinc/43/46/60/1083434660.db2.gz RJCZYTZVRXHKJK-VQIMIIECSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522721 1083451273 /nfs/dbraw/zinc/45/12/73/1083451273.db2.gz PVMOVCYNFAAVKB-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633784 1083525433 /nfs/dbraw/zinc/52/54/33/1083525433.db2.gz OOATVFZOIFKOMY-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001277779912 1084145076 /nfs/dbraw/zinc/14/50/76/1084145076.db2.gz WCJQMALIVJAKAR-SJLPKXTDSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298498 1084221712 /nfs/dbraw/zinc/22/17/12/1084221712.db2.gz CFFFVYLZPDUJDS-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298498 1084221720 /nfs/dbraw/zinc/22/17/20/1084221720.db2.gz CFFFVYLZPDUJDS-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241153 /nfs/dbraw/zinc/24/11/53/1085241153.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241160 /nfs/dbraw/zinc/24/11/60/1085241160.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001486370081 1085241169 /nfs/dbraw/zinc/24/11/69/1085241169.db2.gz PWBUDZCECNHDPH-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001486412568 1085282596 /nfs/dbraw/zinc/28/25/96/1085282596.db2.gz WRLDIXZIAKZIIX-OAHLLOKOSA-N 2 1 309.498 2.108 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964644292 1085334640 /nfs/dbraw/zinc/33/46/40/1085334640.db2.gz NIMICFJZRYBLBG-KZIPQDEESA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273039768 1086065047 /nfs/dbraw/zinc/06/50/47/1086065047.db2.gz UZNPPUKQVJQHDC-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101045 1086176108 /nfs/dbraw/zinc/17/61/08/1086176108.db2.gz MFQYMYXWDLGDPG-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357659 1086424012 /nfs/dbraw/zinc/42/40/12/1086424012.db2.gz KQTMVGUQGVLEQN-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357656 1086424181 /nfs/dbraw/zinc/42/41/81/1086424181.db2.gz KQTMVGUQGVLEQN-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633748 1088480501 /nfs/dbraw/zinc/48/05/01/1088480501.db2.gz MXSVYVUTIPESFU-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080989575 1089281877 /nfs/dbraw/zinc/28/18/77/1089281877.db2.gz NZVKQKPKTGDODA-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001082698728 1090053946 /nfs/dbraw/zinc/05/39/46/1090053946.db2.gz YBRMCZDITHXANW-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010113 1090620734 /nfs/dbraw/zinc/62/07/34/1090620734.db2.gz MVMZKBJKXPWJQG-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001273426638 1091348575 /nfs/dbraw/zinc/34/85/75/1091348575.db2.gz CKDAAJSPQLYKOA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001273426638 1091348584 /nfs/dbraw/zinc/34/85/84/1091348584.db2.gz CKDAAJSPQLYKOA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001273426638 1091348595 /nfs/dbraw/zinc/34/85/95/1091348595.db2.gz CKDAAJSPQLYKOA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276043183 1091476383 /nfs/dbraw/zinc/47/63/83/1091476383.db2.gz WYXKUDYUVAKLJP-KDURUIRLSA-N 2 1 323.525 2.460 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001274965545 1091490776 /nfs/dbraw/zinc/49/07/76/1091490776.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001274965545 1091490787 /nfs/dbraw/zinc/49/07/87/1091490787.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001274965545 1091490794 /nfs/dbraw/zinc/49/07/94/1091490794.db2.gz NDZVNGMKGSPQGD-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001275185238 1091604482 /nfs/dbraw/zinc/60/44/82/1091604482.db2.gz WKGANIQRUGFMJA-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488771984 1092742940 /nfs/dbraw/zinc/74/29/40/1092742940.db2.gz JNLSEEUTQJXTER-VQHPVUNQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001490331882 1093318687 /nfs/dbraw/zinc/31/86/87/1093318687.db2.gz YQSORVJPDXFQSE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001490331882 1093318697 /nfs/dbraw/zinc/31/86/97/1093318697.db2.gz YQSORVJPDXFQSE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001490331882 1093318705 /nfs/dbraw/zinc/31/87/05/1093318705.db2.gz YQSORVJPDXFQSE-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001490362270 1093355824 /nfs/dbraw/zinc/35/58/24/1093355824.db2.gz SYYWRRKVCJEGPP-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110661 1093803111 /nfs/dbraw/zinc/80/31/11/1093803111.db2.gz MENAEDPCZIQHQW-IBGZPJMESA-N 2 1 324.428 2.335 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110661 1093803112 /nfs/dbraw/zinc/80/31/12/1093803112.db2.gz MENAEDPCZIQHQW-IBGZPJMESA-N 2 1 324.428 2.335 20 30 DEEDMP C=C(Cl)C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001318930816 1140469518 /nfs/dbraw/zinc/46/95/18/1140469518.db2.gz IANXIRKFSGXZBF-UHFFFAOYSA-N 2 1 324.856 2.162 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C1CCCCC1 ZINC001319655432 1140646225 /nfs/dbraw/zinc/64/62/25/1140646225.db2.gz KWSFTSDXEBOIBS-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C1CCCCC1 ZINC001319655432 1140646242 /nfs/dbraw/zinc/64/62/42/1140646242.db2.gz KWSFTSDXEBOIBS-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001320451642 1140867705 /nfs/dbraw/zinc/86/77/05/1140867705.db2.gz ZATDQKYFGYNLBG-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001320451642 1140867706 /nfs/dbraw/zinc/86/77/06/1140867706.db2.gz ZATDQKYFGYNLBG-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP N#Cc1ccc(C2CCC(N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246626977 1141012157 /nfs/dbraw/zinc/01/21/57/1141012157.db2.gz ULGFDWXKQHYZJY-MHJFOBGBSA-N 2 1 324.472 2.222 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323860226 1141894487 /nfs/dbraw/zinc/89/44/87/1141894487.db2.gz OXZSUNOXGCDLGR-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001252552530 1142760738 /nfs/dbraw/zinc/76/07/38/1142760738.db2.gz XKFFASVYKZBENP-GOSISDBHSA-N 2 1 315.461 2.307 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001278673804 1142774608 /nfs/dbraw/zinc/77/46/08/1142774608.db2.gz VWIUQVXCRNOPFH-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597115 1142778473 /nfs/dbraw/zinc/77/84/73/1142778473.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597115 1142778491 /nfs/dbraw/zinc/77/84/91/1142778491.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597115 1142778506 /nfs/dbraw/zinc/77/85/06/1142778506.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597115 1142778512 /nfs/dbraw/zinc/77/85/12/1142778512.db2.gz WVODKYQCZKWRJI-ROUUACIJSA-N 2 1 310.482 2.136 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582409 1142882358 /nfs/dbraw/zinc/88/23/58/1142882358.db2.gz OMBMKGAORPOONB-DSLXNQLJSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582409 1142882359 /nfs/dbraw/zinc/88/23/59/1142882359.db2.gz OMBMKGAORPOONB-DSLXNQLJSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582409 1142882360 /nfs/dbraw/zinc/88/23/60/1142882360.db2.gz OMBMKGAORPOONB-DSLXNQLJSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582409 1142882362 /nfs/dbraw/zinc/88/23/62/1142882362.db2.gz OMBMKGAORPOONB-DSLXNQLJSA-N 2 1 315.461 2.161 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001278911503 1143830059 /nfs/dbraw/zinc/83/00/59/1143830059.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001278911503 1143830062 /nfs/dbraw/zinc/83/00/62/1143830062.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001278911503 1143830064 /nfs/dbraw/zinc/83/00/64/1143830064.db2.gz BDFNUDQDWBXITC-QGZVFWFLSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001264435369 1144539280 /nfs/dbraw/zinc/53/92/80/1144539280.db2.gz HICNWHNEFKCCTM-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265399172 1144702339 /nfs/dbraw/zinc/70/23/39/1144702339.db2.gz QHVBBTXABODRMQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265399172 1144702341 /nfs/dbraw/zinc/70/23/41/1144702341.db2.gz QHVBBTXABODRMQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265399172 1144702342 /nfs/dbraw/zinc/70/23/42/1144702342.db2.gz QHVBBTXABODRMQ-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266067095 1144802195 /nfs/dbraw/zinc/80/21/95/1144802195.db2.gz IOZFQCLNDIAIJO-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001279564742 1144824737 /nfs/dbraw/zinc/82/47/37/1144824737.db2.gz IHMXTDYGGUMIIS-SFHVURJKSA-N 2 1 317.477 2.043 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001280865456 1144860301 /nfs/dbraw/zinc/86/03/01/1144860301.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001280865456 1144860302 /nfs/dbraw/zinc/86/03/02/1144860302.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001280865456 1144860303 /nfs/dbraw/zinc/86/03/03/1144860303.db2.gz JYMZZEFQGDEIGR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001281683055 1144907829 /nfs/dbraw/zinc/90/78/29/1144907829.db2.gz MIWPDTXBEBANDB-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001283340227 1145369166 /nfs/dbraw/zinc/36/91/66/1145369166.db2.gz FFGLGJQICMSLST-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001283340227 1145369170 /nfs/dbraw/zinc/36/91/70/1145369170.db2.gz FFGLGJQICMSLST-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001283340227 1145369174 /nfs/dbraw/zinc/36/91/74/1145369174.db2.gz FFGLGJQICMSLST-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001283462783 1145445721 /nfs/dbraw/zinc/44/57/21/1145445721.db2.gz JFYXASHWDXJVMS-MSOLQXFVSA-N 2 1 321.509 2.393 20 30 DEEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491878088 1146946607 /nfs/dbraw/zinc/94/66/07/1146946607.db2.gz RHOYLPROIPQFTH-JKSUJKDBSA-N 2 1 319.493 2.290 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001491933454 1147005515 /nfs/dbraw/zinc/00/55/15/1147005515.db2.gz AUFNPOZKPZRXAE-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491934473 1147006698 /nfs/dbraw/zinc/00/66/98/1147006698.db2.gz KMDBYGZAHFMQMD-QGZVFWFLSA-N 2 1 324.428 2.202 20 30 DEEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947872 1147013884 /nfs/dbraw/zinc/01/38/84/1147013884.db2.gz YMFLMAQZWPKEAC-IRXDYDNUSA-N 2 1 307.482 2.053 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317037067 1147651357 /nfs/dbraw/zinc/65/13/57/1147651357.db2.gz LOZYVSMSBKLKDU-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317037067 1147651359 /nfs/dbraw/zinc/65/13/59/1147651359.db2.gz LOZYVSMSBKLKDU-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317037067 1147651360 /nfs/dbraw/zinc/65/13/60/1147651360.db2.gz LOZYVSMSBKLKDU-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317037296 1147651599 /nfs/dbraw/zinc/65/15/99/1147651599.db2.gz PTDREBMXYZXXIX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317037296 1147651600 /nfs/dbraw/zinc/65/16/00/1147651600.db2.gz PTDREBMXYZXXIX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317037296 1147651602 /nfs/dbraw/zinc/65/16/02/1147651602.db2.gz PTDREBMXYZXXIX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044341 1147652422 /nfs/dbraw/zinc/65/24/22/1147652422.db2.gz QOUGQWRATMOALI-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317045973 1147652791 /nfs/dbraw/zinc/65/27/91/1147652791.db2.gz UBGCBYWAIFYGBN-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317045973 1147652793 /nfs/dbraw/zinc/65/27/93/1147652793.db2.gz UBGCBYWAIFYGBN-QGZVFWFLSA-N 2 1 318.465 2.328 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379100 1147699723 /nfs/dbraw/zinc/69/97/23/1147699723.db2.gz KVBYQWIFVNYGKZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318374609 1147817094 /nfs/dbraw/zinc/81/70/94/1147817094.db2.gz UQZAJWJYDSFWNN-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318374609 1147817096 /nfs/dbraw/zinc/81/70/96/1147817096.db2.gz UQZAJWJYDSFWNN-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996935 /nfs/dbraw/zinc/99/69/35/1147996935.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996938 /nfs/dbraw/zinc/99/69/38/1147996938.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001325766414 1147996940 /nfs/dbraw/zinc/99/69/40/1147996940.db2.gz MSHINYHOGSWBQM-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1 ZINC000181697347 199339977 /nfs/dbraw/zinc/33/99/77/199339977.db2.gz UWMHJVFYPGRRCI-MRXNPFEDSA-N 2 1 314.477 2.482 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796994 362705525 /nfs/dbraw/zinc/70/55/25/362705525.db2.gz JVHHHNXQMOOKCP-YJBOKZPZSA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000615796994 362705530 /nfs/dbraw/zinc/70/55/30/362705530.db2.gz JVHHHNXQMOOKCP-YJBOKZPZSA-N 2 1 316.449 2.180 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001328254724 1148755486 /nfs/dbraw/zinc/75/54/86/1148755486.db2.gz GACBPTHCUNBZSX-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001328254724 1148755494 /nfs/dbraw/zinc/75/54/94/1148755494.db2.gz GACBPTHCUNBZSX-CVEARBPZSA-N 2 1 319.493 2.242 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431992 361598641 /nfs/dbraw/zinc/59/86/41/361598641.db2.gz GNUDBMOZGNYAIO-QGZVFWFLSA-N 2 1 303.454 2.138 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000263266111 296362520 /nfs/dbraw/zinc/36/25/20/296362520.db2.gz VGDPVHQOONHNIE-HUUCEWRRSA-N 2 1 304.438 2.463 20 30 DEEDMP COc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+]2CCCCC2)cc1 ZINC000262683668 533178357 /nfs/dbraw/zinc/17/83/57/533178357.db2.gz XKNXHTNWQQMTDV-KRWDZBQOSA-N 2 1 316.449 2.113 20 30 DEEDMP C[C@H](C[NH+](C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000348324892 146255623 /nfs/dbraw/zinc/25/56/23/146255623.db2.gz DONBGMXEVWMEPM-OAHLLOKOSA-N 2 1 300.450 2.062 20 30 DEEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N[C@@H]1C[C@H]1C ZINC000262834223 402734949 /nfs/dbraw/zinc/73/49/49/402734949.db2.gz SACUMAWELNUGBB-BPLDGKMQSA-N 2 1 304.438 2.298 20 30 DEEDMP C=C(C)C[N@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175981710 402845982 /nfs/dbraw/zinc/84/59/82/402845982.db2.gz HAWPONVOWQHDEE-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292071804 403283885 /nfs/dbraw/zinc/28/38/85/403283885.db2.gz CVHIODUXUIEAIR-INIZCTEOSA-N 2 1 311.389 2.002 20 30 DEEDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292071804 403283888 /nfs/dbraw/zinc/28/38/88/403283888.db2.gz CVHIODUXUIEAIR-INIZCTEOSA-N 2 1 311.389 2.002 20 30 DEEDMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000343282781 403524717 /nfs/dbraw/zinc/52/47/17/403524717.db2.gz KAUSSQCTFHJAMZ-UHFFFAOYSA-N 2 1 306.479 2.127 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115389 403764025 /nfs/dbraw/zinc/76/40/25/403764025.db2.gz XVRJSFYLCXJWFC-HNNXBMFYSA-N 2 1 315.417 2.249 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000295115389 403764029 /nfs/dbraw/zinc/76/40/29/403764029.db2.gz XVRJSFYLCXJWFC-HNNXBMFYSA-N 2 1 315.417 2.249 20 30 DEEDMP CCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000304757014 403801788 /nfs/dbraw/zinc/80/17/88/403801788.db2.gz OJGSDPSSKLSGFV-UHFFFAOYSA-N 2 1 323.510 2.232 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000328256072 404104516 /nfs/dbraw/zinc/10/45/16/404104516.db2.gz KHAIFZRUBRNDPL-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000328256072 404104522 /nfs/dbraw/zinc/10/45/22/404104522.db2.gz KHAIFZRUBRNDPL-OAHLLOKOSA-N 2 1 314.351 2.284 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000328108585 404104797 /nfs/dbraw/zinc/10/47/97/404104797.db2.gz NIZOHNIZWSPGPZ-JKSUJKDBSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000328108585 404104803 /nfs/dbraw/zinc/10/48/03/404104803.db2.gz NIZOHNIZWSPGPZ-JKSUJKDBSA-N 2 1 323.481 2.367 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000357983009 404750602 /nfs/dbraw/zinc/75/06/02/404750602.db2.gz YKAOJPIHXPZTKZ-OAHLLOKOSA-N 2 1 310.486 2.056 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000358794905 404775732 /nfs/dbraw/zinc/77/57/32/404775732.db2.gz IZTYEHGQGOBCMA-HZPDHXFCSA-N 2 1 322.497 2.056 20 30 DEEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423206020 405723670 /nfs/dbraw/zinc/72/36/70/405723670.db2.gz FOXNTEXQYYZCHK-GOSISDBHSA-N 2 1 312.461 2.112 20 30 DEEDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367101 405777775 /nfs/dbraw/zinc/77/77/75/405777775.db2.gz CXQWLDDJYHVGPU-BEFAXECRSA-N 2 1 312.461 2.253 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000532016130 406035390 /nfs/dbraw/zinc/03/53/90/406035390.db2.gz BIYMZZLENXSPDJ-JKSUJKDBSA-N 2 1 305.447 2.087 20 30 DEEDMP C#CCN1CCC[C@H]1COC(=O)c1ccc(-n2ccnc2)cc1 ZINC000490914252 406506122 /nfs/dbraw/zinc/50/61/22/406506122.db2.gz GVTQQPOTAITLRX-KRWDZBQOSA-N 2 1 309.369 2.127 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)C(C)C ZINC000654781610 425441672 /nfs/dbraw/zinc/44/16/72/425441672.db2.gz KIGHVHARQPKJNS-SJORKVTESA-N 2 1 307.482 2.141 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154157 276316401 /nfs/dbraw/zinc/31/64/01/276316401.db2.gz HUPGFRFKNXWLLO-KRWDZBQOSA-N 2 1 318.465 2.489 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001329759430 1148988978 /nfs/dbraw/zinc/98/89/78/1148988978.db2.gz CAVGQOIEUSWDNC-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365234226 333399482 /nfs/dbraw/zinc/39/94/82/333399482.db2.gz MWIBUNCLNLZYSG-FQEVSTJZSA-N 2 1 311.473 2.138 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365234226 333399485 /nfs/dbraw/zinc/39/94/85/333399485.db2.gz MWIBUNCLNLZYSG-FQEVSTJZSA-N 2 1 311.473 2.138 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938234 1149019605 /nfs/dbraw/zinc/01/96/05/1149019605.db2.gz PNIYMEDBRZPDHD-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP CN/C(=[NH+]/C)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262011416 526344091 /nfs/dbraw/zinc/34/40/91/526344091.db2.gz WQSOWQUWOJFRSV-IAGOWNOFSA-N 2 1 300.450 2.178 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000247177850 527264880 /nfs/dbraw/zinc/26/48/80/527264880.db2.gz KWQRLHDTJHSJSU-SJLPKXTDSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000247177850 527264884 /nfs/dbraw/zinc/26/48/84/527264884.db2.gz KWQRLHDTJHSJSU-SJLPKXTDSA-N 2 1 318.461 2.038 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261899603 529100426 /nfs/dbraw/zinc/10/04/26/529100426.db2.gz WJQPGYYNJKUZII-STQMWFEESA-N 2 1 302.413 2.201 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001369785922 1149190532 /nfs/dbraw/zinc/19/05/32/1149190532.db2.gz FBZKAUSEUQLMLN-HNNXBMFYSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001379602808 1152650047 /nfs/dbraw/zinc/65/00/47/1152650047.db2.gz VVQCEPGXZAFDAM-ZFWWWQNUSA-N 2 1 309.841 2.136 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023464099 625282500 /nfs/dbraw/zinc/28/25/00/625282500.db2.gz CGDHUJZEFVJNDP-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468033 625283625 /nfs/dbraw/zinc/28/36/25/625283625.db2.gz HTAWNARXUFITQU-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023650965 625373273 /nfs/dbraw/zinc/37/32/73/625373273.db2.gz HHLYYHRQXWNDBE-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468316 625462287 /nfs/dbraw/zinc/46/22/87/625462287.db2.gz INZYKDSQECHNBM-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972701066 625469266 /nfs/dbraw/zinc/46/92/66/625469266.db2.gz SHKLFFROWAXICQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972701066 625469267 /nfs/dbraw/zinc/46/92/67/625469267.db2.gz SHKLFFROWAXICQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972701066 625469268 /nfs/dbraw/zinc/46/92/68/625469268.db2.gz SHKLFFROWAXICQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484803 625476609 /nfs/dbraw/zinc/47/66/09/625476609.db2.gz JNYUMRDGSFHKLW-LSDHHAIUSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529121 623522612 /nfs/dbraw/zinc/52/26/12/623522612.db2.gz MIEPRTGFOSPDHJ-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670226 623929452 /nfs/dbraw/zinc/92/94/52/623929452.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670226 623929455 /nfs/dbraw/zinc/92/94/55/623929455.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670226 623929459 /nfs/dbraw/zinc/92/94/59/623929459.db2.gz JMVLBASDNAWVAZ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436719 624038054 /nfs/dbraw/zinc/03/80/54/624038054.db2.gz MBRFCZJAIXZVLD-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071406 624817664 /nfs/dbraw/zinc/81/76/64/624817664.db2.gz WVXLTQOXYPYSFP-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071406 624817666 /nfs/dbraw/zinc/81/76/66/624817666.db2.gz WVXLTQOXYPYSFP-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023411012 625257753 /nfs/dbraw/zinc/25/77/53/625257753.db2.gz YUUUYGWVYVLPAF-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411012 625257759 /nfs/dbraw/zinc/25/77/59/625257759.db2.gz YUUUYGWVYVLPAF-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411012 625257762 /nfs/dbraw/zinc/25/77/62/625257762.db2.gz YUUUYGWVYVLPAF-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328221377 625743749 /nfs/dbraw/zinc/74/37/49/625743749.db2.gz AEHHISNVBWSJTJ-UHFFFAOYSA-N 2 1 323.481 2.178 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328221377 625743757 /nfs/dbraw/zinc/74/37/57/625743757.db2.gz AEHHISNVBWSJTJ-UHFFFAOYSA-N 2 1 323.481 2.178 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448138 625772056 /nfs/dbraw/zinc/77/20/56/625772056.db2.gz DKPGWVUAZFCCCK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448138 625772063 /nfs/dbraw/zinc/77/20/63/625772063.db2.gz DKPGWVUAZFCCCK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448138 625772069 /nfs/dbraw/zinc/77/20/69/625772069.db2.gz DKPGWVUAZFCCCK-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468093 625795321 /nfs/dbraw/zinc/79/53/21/625795321.db2.gz IFPGOLUJEMSDPP-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024524253 625838093 /nfs/dbraw/zinc/83/80/93/625838093.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524253 625838099 /nfs/dbraw/zinc/83/80/99/625838099.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024524253 625838102 /nfs/dbraw/zinc/83/81/02/625838102.db2.gz UNLKRZBCRDQYQL-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999350879 634569799 /nfs/dbraw/zinc/56/97/99/634569799.db2.gz BYCJKUSOHZAPJS-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000921690730 634757480 /nfs/dbraw/zinc/75/74/80/634757480.db2.gz QFPOJXMCNSDTMJ-UHFFFAOYSA-N 2 1 314.477 2.292 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995906623 633134274 /nfs/dbraw/zinc/13/42/74/633134274.db2.gz SAKQGFXCEURTIX-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)cnc3c2)C(C)(C)C1 ZINC000974581114 633162986 /nfs/dbraw/zinc/16/29/86/633162986.db2.gz FEFKAMLHUSUGPQ-INIZCTEOSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586846 633166019 /nfs/dbraw/zinc/16/60/19/633166019.db2.gz KQXWDVUGXIUEMJ-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465164 633262262 /nfs/dbraw/zinc/26/22/62/633262262.db2.gz RSXWSEMYYVBJJD-OAHLLOKOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001027418228 633758370 /nfs/dbraw/zinc/75/83/70/633758370.db2.gz UVSNHZSBCSEQIT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027418228 633758371 /nfs/dbraw/zinc/75/83/71/633758371.db2.gz UVSNHZSBCSEQIT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001027418228 633758374 /nfs/dbraw/zinc/75/83/74/633758374.db2.gz UVSNHZSBCSEQIT-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001027448376 633800756 /nfs/dbraw/zinc/80/07/56/633800756.db2.gz IDPSMKFMTDLAPA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001027448376 633800761 /nfs/dbraw/zinc/80/07/61/633800761.db2.gz IDPSMKFMTDLAPA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001027448376 633800765 /nfs/dbraw/zinc/80/07/65/633800765.db2.gz IDPSMKFMTDLAPA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001027452511 633810377 /nfs/dbraw/zinc/81/03/77/633810377.db2.gz PUMOYAAYIHEHPY-GJZGRUSLSA-N 2 1 315.889 2.248 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214449 633881461 /nfs/dbraw/zinc/88/14/61/633881461.db2.gz DLTKTHFPGOWULY-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000977214449 633881465 /nfs/dbraw/zinc/88/14/65/633881465.db2.gz DLTKTHFPGOWULY-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977498787 634013153 /nfs/dbraw/zinc/01/31/53/634013153.db2.gz MZBORZFFZNMOIE-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977498787 634013157 /nfs/dbraw/zinc/01/31/57/634013157.db2.gz MZBORZFFZNMOIE-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490815 635021703 /nfs/dbraw/zinc/02/17/03/635021703.db2.gz MSBJQXZUECKMOP-DLBZAZTESA-N 2 1 301.434 2.008 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980490815 635021709 /nfs/dbraw/zinc/02/17/09/635021709.db2.gz MSBJQXZUECKMOP-DLBZAZTESA-N 2 1 301.434 2.008 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000677139 635273454 /nfs/dbraw/zinc/27/34/54/635273454.db2.gz FIJFTPGJPYQCNU-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000677139 635273460 /nfs/dbraw/zinc/27/34/60/635273460.db2.gz FIJFTPGJPYQCNU-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000677139 635273468 /nfs/dbraw/zinc/27/34/68/635273468.db2.gz FIJFTPGJPYQCNU-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681977 635275680 /nfs/dbraw/zinc/27/56/80/635275680.db2.gz GJEYNIODTFUSEZ-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000681977 635275689 /nfs/dbraw/zinc/27/56/89/635275689.db2.gz GJEYNIODTFUSEZ-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000681977 635275695 /nfs/dbraw/zinc/27/56/95/635275695.db2.gz GJEYNIODTFUSEZ-QZTJIDSGSA-N 2 1 317.477 2.185 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707577 635282571 /nfs/dbraw/zinc/28/25/71/635282571.db2.gz HKYPFKGYAJXSJF-GOSISDBHSA-N 2 1 317.477 2.043 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324655 635439522 /nfs/dbraw/zinc/43/95/22/635439522.db2.gz RFVVQZKGOYUONH-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324655 635439526 /nfs/dbraw/zinc/43/95/26/635439526.db2.gz RFVVQZKGOYUONH-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324655 635439532 /nfs/dbraw/zinc/43/95/32/635439532.db2.gz RFVVQZKGOYUONH-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981524794 635515087 /nfs/dbraw/zinc/51/50/87/635515087.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524794 635515091 /nfs/dbraw/zinc/51/50/91/635515091.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981524794 635515092 /nfs/dbraw/zinc/51/50/92/635515092.db2.gz IECBXMDLLFPIOI-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922753 635577785 /nfs/dbraw/zinc/57/77/85/635577785.db2.gz AJQXGBVNHFKGKF-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000981961802 635772034 /nfs/dbraw/zinc/77/20/34/635772034.db2.gz AFOZSJVBUZRZKJ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000981961802 635772035 /nfs/dbraw/zinc/77/20/35/635772035.db2.gz AFOZSJVBUZRZKJ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000981961802 635772038 /nfs/dbraw/zinc/77/20/38/635772038.db2.gz AFOZSJVBUZRZKJ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028181645 635783083 /nfs/dbraw/zinc/78/30/83/635783083.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181645 635783085 /nfs/dbraw/zinc/78/30/85/635783085.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181645 635783089 /nfs/dbraw/zinc/78/30/89/635783089.db2.gz XGEXCWUPSQUHCQ-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC000982042283 635841208 /nfs/dbraw/zinc/84/12/08/635841208.db2.gz KRDGTCGAQODKBW-INIZCTEOSA-N 2 1 316.449 2.335 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001003716354 636032375 /nfs/dbraw/zinc/03/23/75/636032375.db2.gz JSBXWHXBEYBBTM-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474981 636111742 /nfs/dbraw/zinc/11/17/42/636111742.db2.gz KARNRERFKPPBBN-PBWTXFEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474981 636111744 /nfs/dbraw/zinc/11/17/44/636111744.db2.gz KARNRERFKPPBBN-PBWTXFEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474981 636111746 /nfs/dbraw/zinc/11/17/46/636111746.db2.gz KARNRERFKPPBBN-PBWTXFEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001028335095 636136118 /nfs/dbraw/zinc/13/61/18/636136118.db2.gz NQNLGRXBTGEGHL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335095 636136122 /nfs/dbraw/zinc/13/61/22/636136122.db2.gz NQNLGRXBTGEGHL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001028335095 636136125 /nfs/dbraw/zinc/13/61/25/636136125.db2.gz NQNLGRXBTGEGHL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592248 636433371 /nfs/dbraw/zinc/43/33/71/636433371.db2.gz IYAFFUUQXYZEGX-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592248 636433372 /nfs/dbraw/zinc/43/33/72/636433372.db2.gz IYAFFUUQXYZEGX-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592248 636433374 /nfs/dbraw/zinc/43/33/74/636433374.db2.gz IYAFFUUQXYZEGX-ZWKOTPCHSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592245 636433409 /nfs/dbraw/zinc/43/34/09/636433409.db2.gz IYAFFUUQXYZEGX-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592245 636433412 /nfs/dbraw/zinc/43/34/12/636433412.db2.gz IYAFFUUQXYZEGX-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592245 636433415 /nfs/dbraw/zinc/43/34/15/636433415.db2.gz IYAFFUUQXYZEGX-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755818 636703251 /nfs/dbraw/zinc/70/32/51/636703251.db2.gz VMSOTOFRLVUUDG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755818 636703252 /nfs/dbraw/zinc/70/32/52/636703252.db2.gz VMSOTOFRLVUUDG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755818 636703254 /nfs/dbraw/zinc/70/32/54/636703254.db2.gz VMSOTOFRLVUUDG-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845380 636784600 /nfs/dbraw/zinc/78/46/00/636784600.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845380 636784605 /nfs/dbraw/zinc/78/46/05/636784605.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845380 636784607 /nfs/dbraw/zinc/78/46/07/636784607.db2.gz JWGQBSLRBMGLID-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919361 636853534 /nfs/dbraw/zinc/85/35/34/636853534.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919361 636853536 /nfs/dbraw/zinc/85/35/36/636853536.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919361 636853537 /nfs/dbraw/zinc/85/35/37/636853537.db2.gz UOOHWMZEERBNAF-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C[C@H](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000895297486 637902286 /nfs/dbraw/zinc/90/22/86/637902286.db2.gz WXZZJHHKTORQHG-MRXNPFEDSA-N 2 1 314.477 2.452 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303775994 639443092 /nfs/dbraw/zinc/44/30/92/639443092.db2.gz HIXYVCOKJTZIMF-QGZVFWFLSA-N 2 1 318.465 2.332 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000985535639 639475776 /nfs/dbraw/zinc/47/57/76/639475776.db2.gz UFBBGRYEWWFXII-UHFFFAOYSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987101819 640086445 /nfs/dbraw/zinc/08/64/45/640086445.db2.gz HUDOQECBPHZZRK-GJZGRUSLSA-N 2 1 304.438 2.162 20 30 DEEDMP CC(=NN1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779750890 642533034 /nfs/dbraw/zinc/53/30/34/642533034.db2.gz ADXLHICUIJIKCA-GOSISDBHSA-N 2 1 300.450 2.132 20 30 DEEDMP CC(=NN1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779750890 642533036 /nfs/dbraw/zinc/53/30/36/642533036.db2.gz ADXLHICUIJIKCA-GOSISDBHSA-N 2 1 300.450 2.132 20 30 DEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903725864 643440986 /nfs/dbraw/zinc/44/09/86/643440986.db2.gz INAATVUHDVCHIO-OALUTQOASA-N 2 1 300.446 2.486 20 30 DEEDMP C[C@@]1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCC[NH2+]C1 ZINC000904388393 643650801 /nfs/dbraw/zinc/65/08/01/643650801.db2.gz ILFDWZNLOXFZDV-FUHWJXTLSA-N 2 1 313.449 2.219 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000908230549 644789081 /nfs/dbraw/zinc/78/90/81/644789081.db2.gz PCCKNMIOFWIHMD-AEFFLSMTSA-N 2 1 315.461 2.274 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857027 646670054 /nfs/dbraw/zinc/67/00/54/646670054.db2.gz CGSPJKCFLBCRIT-HKUYNNGSSA-N 2 1 322.412 2.084 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992118576 646859422 /nfs/dbraw/zinc/85/94/22/646859422.db2.gz OBUXRIDAXLPCSM-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992118576 646859426 /nfs/dbraw/zinc/85/94/26/646859426.db2.gz OBUXRIDAXLPCSM-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992118576 646859429 /nfs/dbraw/zinc/85/94/29/646859429.db2.gz OBUXRIDAXLPCSM-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992118576 646859432 /nfs/dbraw/zinc/85/94/32/646859432.db2.gz OBUXRIDAXLPCSM-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121382 646860306 /nfs/dbraw/zinc/86/03/06/646860306.db2.gz DCHIGRZLRVUEBO-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121382 646860310 /nfs/dbraw/zinc/86/03/10/646860310.db2.gz DCHIGRZLRVUEBO-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992121382 646860311 /nfs/dbraw/zinc/86/03/11/646860311.db2.gz DCHIGRZLRVUEBO-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365825 646959676 /nfs/dbraw/zinc/95/96/76/646959676.db2.gz DIZZPBXPEWZIFQ-MJGOQNOKSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000815651863 647038619 /nfs/dbraw/zinc/03/86/19/647038619.db2.gz GSZRPENONGQWKZ-JKSUJKDBSA-N 2 1 323.481 2.177 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000815651863 647038621 /nfs/dbraw/zinc/03/86/21/647038621.db2.gz GSZRPENONGQWKZ-JKSUJKDBSA-N 2 1 323.481 2.177 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993325189 647606337 /nfs/dbraw/zinc/60/63/37/647606337.db2.gz HPPBKJPFIIBDLQ-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993487083 647685269 /nfs/dbraw/zinc/68/52/69/647685269.db2.gz FHQNCIILCWRWGH-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993534119 647692298 /nfs/dbraw/zinc/69/22/98/647692298.db2.gz SBHHCELQBKAZLK-RHSMWYFYSA-N 2 1 312.417 2.411 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993683284 647725627 /nfs/dbraw/zinc/72/56/27/647725627.db2.gz MJXUYUIIVFHJOI-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000820810406 647922957 /nfs/dbraw/zinc/92/29/57/647922957.db2.gz WIJGGORGLFYRNW-YQQQUEKLSA-N 3 1 321.509 2.258 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@H]2C)CC1 ZINC000994491912 647969729 /nfs/dbraw/zinc/96/97/29/647969729.db2.gz AMQALEATFFVNDS-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867515 648958157 /nfs/dbraw/zinc/95/81/57/648958157.db2.gz COGRXAURZQXDOO-QGZVFWFLSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913703 648967369 /nfs/dbraw/zinc/96/73/69/648967369.db2.gz GBULGPUIYYMBGQ-DLBZAZTESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031570 648989790 /nfs/dbraw/zinc/98/97/90/648989790.db2.gz ASHRQTKEWBGJOZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031570 648989791 /nfs/dbraw/zinc/98/97/91/648989791.db2.gz ASHRQTKEWBGJOZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941031570 648989792 /nfs/dbraw/zinc/98/97/92/648989792.db2.gz ASHRQTKEWBGJOZ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215922 649021894 /nfs/dbraw/zinc/02/18/94/649021894.db2.gz BKHDNDJTZWFYAI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215922 649021896 /nfs/dbraw/zinc/02/18/96/649021896.db2.gz BKHDNDJTZWFYAI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215922 649021899 /nfs/dbraw/zinc/02/18/99/649021899.db2.gz BKHDNDJTZWFYAI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237023 649027922 /nfs/dbraw/zinc/02/79/22/649027922.db2.gz GBWLYYFXANOLRD-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237023 649027925 /nfs/dbraw/zinc/02/79/25/649027925.db2.gz GBWLYYFXANOLRD-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237023 649027927 /nfs/dbraw/zinc/02/79/27/649027927.db2.gz GBWLYYFXANOLRD-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941236960 649028495 /nfs/dbraw/zinc/02/84/95/649028495.db2.gz DLFAPPQAFPOEQT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236960 649028496 /nfs/dbraw/zinc/02/84/96/649028496.db2.gz DLFAPPQAFPOEQT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941236960 649028499 /nfs/dbraw/zinc/02/84/99/649028499.db2.gz DLFAPPQAFPOEQT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942301541 649200690 /nfs/dbraw/zinc/20/06/90/649200690.db2.gz GWBWXSRUIGGCMP-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824640 649290808 /nfs/dbraw/zinc/29/08/08/649290808.db2.gz YGZZXEMIJROKGN-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287175 649358664 /nfs/dbraw/zinc/35/86/64/649358664.db2.gz IVKKHPVSWVLRRJ-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000858334836 652310163 /nfs/dbraw/zinc/31/01/63/652310163.db2.gz SEYPSJCDRJTSHZ-LJQANCHMSA-N 2 1 300.446 2.321 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000304763022 685260733 /nfs/dbraw/zinc/26/07/33/685260733.db2.gz WJCRIYLDXZKZRX-OAGGEKHMSA-N 2 1 324.513 2.216 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCCSC ZINC000305841233 685303051 /nfs/dbraw/zinc/30/30/51/685303051.db2.gz ZGIULIWNBLULEO-AWEZNQCLSA-N 2 1 300.516 2.298 20 30 DEEDMP Cc1ccc([C@H](CNC(=[NH2+])NCC2CCC2)[NH+]2CCCC2)o1 ZINC000104191388 684059215 /nfs/dbraw/zinc/05/92/15/684059215.db2.gz PSDAFSWROYFQDV-HNNXBMFYSA-N 2 1 304.438 2.429 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145003 693862087 /nfs/dbraw/zinc/86/20/87/693862087.db2.gz HIPHICCYRSNQEX-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144968 693862414 /nfs/dbraw/zinc/86/24/14/693862414.db2.gz GBIDCERMYAKERU-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148807 693862843 /nfs/dbraw/zinc/86/28/43/693862843.db2.gz WNMIUPIWHXHLOX-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000303781072 685234704 /nfs/dbraw/zinc/23/47/04/685234704.db2.gz MBGDDFOGCLZYBF-NVXWUHKLSA-N 2 1 302.466 2.206 20 30 DEEDMP N#Cc1cncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000929762485 694022615 /nfs/dbraw/zinc/02/26/15/694022615.db2.gz JYNFYEWPUVMIIX-UHFFFAOYSA-N 2 1 314.433 2.030 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016613883 687665215 /nfs/dbraw/zinc/66/52/15/687665215.db2.gz HWTYLKWBUQGAOX-IAGOWNOFSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985946 687749428 /nfs/dbraw/zinc/74/94/28/687749428.db2.gz NDQORFFLEMPQRX-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017694818 687940145 /nfs/dbraw/zinc/94/01/45/687940145.db2.gz CIXTWZFRMLHQTH-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017694818 687940149 /nfs/dbraw/zinc/94/01/49/687940149.db2.gz CIXTWZFRMLHQTH-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017694818 687940151 /nfs/dbraw/zinc/94/01/51/687940151.db2.gz CIXTWZFRMLHQTH-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017694818 687940154 /nfs/dbraw/zinc/94/01/54/687940154.db2.gz CIXTWZFRMLHQTH-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C[C@@H](CC)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000930526895 694182186 /nfs/dbraw/zinc/18/21/86/694182186.db2.gz SYMXWQXOXLMYBN-AWEZNQCLSA-N 2 1 302.422 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001375744585 1158859824 /nfs/dbraw/zinc/85/98/24/1158859824.db2.gz AICSZNGAINSULI-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000366 688548242 /nfs/dbraw/zinc/54/82/42/688548242.db2.gz BZWXQNJFICBWGM-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083318 689381101 /nfs/dbraw/zinc/38/11/01/689381101.db2.gz ZQPXHOGIFRIHOR-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083318 689381104 /nfs/dbraw/zinc/38/11/04/689381104.db2.gz ZQPXHOGIFRIHOR-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083318 689381106 /nfs/dbraw/zinc/38/11/06/689381106.db2.gz ZQPXHOGIFRIHOR-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083319 689381849 /nfs/dbraw/zinc/38/18/49/689381849.db2.gz ZQPXHOGIFRIHOR-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083319 689381850 /nfs/dbraw/zinc/38/18/50/689381850.db2.gz ZQPXHOGIFRIHOR-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083319 689381851 /nfs/dbraw/zinc/38/18/51/689381851.db2.gz ZQPXHOGIFRIHOR-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033147083 689405068 /nfs/dbraw/zinc/40/50/68/689405068.db2.gz SAIYRIAQFPWYAE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033147083 689405070 /nfs/dbraw/zinc/40/50/70/689405070.db2.gz SAIYRIAQFPWYAE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033147083 689405074 /nfs/dbraw/zinc/40/50/74/689405074.db2.gz SAIYRIAQFPWYAE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294640 689452025 /nfs/dbraw/zinc/45/20/25/689452025.db2.gz CFBGFMPPIWIJQE-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423461 689495520 /nfs/dbraw/zinc/49/55/20/689495520.db2.gz RMKUMDDTCYHUCH-GOSISDBHSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470633 689513258 /nfs/dbraw/zinc/51/32/58/689513258.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470633 689513259 /nfs/dbraw/zinc/51/32/59/689513259.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470633 689513260 /nfs/dbraw/zinc/51/32/60/689513260.db2.gz BRKLBMWWDWXZBZ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033934983 689666164 /nfs/dbraw/zinc/66/61/64/689666164.db2.gz OQBIHTQCRQAOPE-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033934983 689666166 /nfs/dbraw/zinc/66/61/66/689666166.db2.gz OQBIHTQCRQAOPE-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033934983 689666168 /nfs/dbraw/zinc/66/61/68/689666168.db2.gz OQBIHTQCRQAOPE-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033938358 689667841 /nfs/dbraw/zinc/66/78/41/689667841.db2.gz VWXOSMZLGKAZSN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033938358 689667844 /nfs/dbraw/zinc/66/78/44/689667844.db2.gz VWXOSMZLGKAZSN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033938358 689667845 /nfs/dbraw/zinc/66/78/45/689667845.db2.gz VWXOSMZLGKAZSN-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034008175 689691115 /nfs/dbraw/zinc/69/11/15/689691115.db2.gz SJUXRRGPGZTSFF-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034251008 689782854 /nfs/dbraw/zinc/78/28/54/689782854.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251008 689782859 /nfs/dbraw/zinc/78/28/59/689782859.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251008 689782861 /nfs/dbraw/zinc/78/28/61/689782861.db2.gz USHLZYIWFWBMDC-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284954 689795136 /nfs/dbraw/zinc/79/51/36/689795136.db2.gz AIVQUAQJPQYAMB-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034284954 689795139 /nfs/dbraw/zinc/79/51/39/689795139.db2.gz AIVQUAQJPQYAMB-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034284954 689795142 /nfs/dbraw/zinc/79/51/42/689795142.db2.gz AIVQUAQJPQYAMB-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475900 689865084 /nfs/dbraw/zinc/86/50/84/689865084.db2.gz XWFGAXUCQQXTDW-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000876723782 689916170 /nfs/dbraw/zinc/91/61/70/689916170.db2.gz HIVPITZFZFYFGH-AWEZNQCLSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000876735231 689920844 /nfs/dbraw/zinc/92/08/44/689920844.db2.gz BZLIZZYKCAYZQX-BMFZPTHFSA-N 2 1 321.852 2.408 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000876742212 689923965 /nfs/dbraw/zinc/92/39/65/689923965.db2.gz ZVZLYJDSXWRDOK-BBRMVZONSA-N 2 1 321.852 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035226377 690066102 /nfs/dbraw/zinc/06/61/02/690066102.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226377 690066105 /nfs/dbraw/zinc/06/61/05/690066105.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226377 690066107 /nfs/dbraw/zinc/06/61/07/690066107.db2.gz HLRUJVAQAGWORN-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001375882714 1158911961 /nfs/dbraw/zinc/91/19/61/1158911961.db2.gz LDWQCAIEUKIYKC-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036202197 690289343 /nfs/dbraw/zinc/28/93/43/690289343.db2.gz GVBFXNMOZZRWGZ-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793986 690476397 /nfs/dbraw/zinc/47/63/97/690476397.db2.gz NREZCJUGBRZRJC-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833443 690492430 /nfs/dbraw/zinc/49/24/30/690492430.db2.gz UFUQEUGKMTTZJU-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1CC ZINC001037863349 690626640 /nfs/dbraw/zinc/62/66/40/690626640.db2.gz XUHHGXADARLEHO-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001037874696 690630111 /nfs/dbraw/zinc/63/01/11/690630111.db2.gz HSCQMXQUYDWUGI-HUUCEWRRSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248490 690756551 /nfs/dbraw/zinc/75/65/51/690756551.db2.gz MZRNVCHSFCBMQO-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248490 690756554 /nfs/dbraw/zinc/75/65/54/690756554.db2.gz MZRNVCHSFCBMQO-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248490 690756556 /nfs/dbraw/zinc/75/65/56/690756556.db2.gz MZRNVCHSFCBMQO-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248490 690756559 /nfs/dbraw/zinc/75/65/59/690756559.db2.gz MZRNVCHSFCBMQO-RDJZCZTQSA-N 2 1 305.466 2.018 20 30 DEEDMP C[NH+](C)CC1(O)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000931480251 694408197 /nfs/dbraw/zinc/40/81/97/694408197.db2.gz QSKXSKOUEIOGJI-UHFFFAOYSA-N 2 1 306.837 2.080 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001039040275 691000402 /nfs/dbraw/zinc/00/04/02/691000402.db2.gz QBKNDHHRHGTQJS-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116971 691023965 /nfs/dbraw/zinc/02/39/65/691023965.db2.gz UWCCTKSKPBMUAS-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116971 691023969 /nfs/dbraw/zinc/02/39/69/691023969.db2.gz UWCCTKSKPBMUAS-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159726 691035456 /nfs/dbraw/zinc/03/54/56/691035456.db2.gz XBIKXAUNSILMME-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP N#CC1(CCC[N@@H+]2CCc3nccc(N)c3C2)CCOCC1 ZINC000931517637 694418522 /nfs/dbraw/zinc/41/85/22/694418522.db2.gz JVQLPZSFTCXPFG-UHFFFAOYSA-N 2 1 300.406 2.122 20 30 DEEDMP N#CC1(CCC[N@H+]2CCc3nccc(N)c3C2)CCOCC1 ZINC000931517637 694418526 /nfs/dbraw/zinc/41/85/26/694418526.db2.gz JVQLPZSFTCXPFG-UHFFFAOYSA-N 2 1 300.406 2.122 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001039239651 691064569 /nfs/dbraw/zinc/06/45/69/691064569.db2.gz UGUJNJGEXCJVCL-RDJZCZTQSA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242785 691066612 /nfs/dbraw/zinc/06/66/12/691066612.db2.gz RDDQMVANGMUJOK-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039285602 691075242 /nfs/dbraw/zinc/07/52/42/691075242.db2.gz XHARFFPASFFYLK-ALOPSCKCSA-N 2 1 316.449 2.269 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039307780 691078324 /nfs/dbraw/zinc/07/83/24/691078324.db2.gz ZBMSIMANCADYDK-CSNJMZFVSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001039401464 691098096 /nfs/dbraw/zinc/09/80/96/691098096.db2.gz DTDCCDRAEFONAX-SJORKVTESA-N 2 1 322.412 2.037 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230805 691216884 /nfs/dbraw/zinc/21/68/84/691216884.db2.gz GBFYTXKXSUMWCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230805 691216886 /nfs/dbraw/zinc/21/68/86/691216886.db2.gz GBFYTXKXSUMWCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230805 691216887 /nfs/dbraw/zinc/21/68/87/691216887.db2.gz GBFYTXKXSUMWCE-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250548 691220294 /nfs/dbraw/zinc/22/02/94/691220294.db2.gz QVVVNNDOENQHAS-FUHWJXTLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040542928 691263488 /nfs/dbraw/zinc/26/34/88/691263488.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542928 691263491 /nfs/dbraw/zinc/26/34/91/691263491.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542928 691263493 /nfs/dbraw/zinc/26/34/93/691263493.db2.gz GRAFEUBGJMFHBH-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040849085 691292797 /nfs/dbraw/zinc/29/27/97/691292797.db2.gz OQLHVMINYLCXLY-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673286 691408466 /nfs/dbraw/zinc/40/84/66/691408466.db2.gz WLTQJDZDFFMROG-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041673286 691408469 /nfs/dbraw/zinc/40/84/69/691408469.db2.gz WLTQJDZDFFMROG-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785581 691429877 /nfs/dbraw/zinc/42/98/77/691429877.db2.gz ITEDIYYUPAUIAU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785581 691429879 /nfs/dbraw/zinc/42/98/79/691429879.db2.gz ITEDIYYUPAUIAU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785581 691429893 /nfs/dbraw/zinc/42/98/93/691429893.db2.gz ITEDIYYUPAUIAU-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cn(-c2ccccc2F)nc1C ZINC000883131093 691435885 /nfs/dbraw/zinc/43/58/85/691435885.db2.gz FZRNZSKZZTTZGQ-UHFFFAOYSA-N 2 1 314.408 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094175 691506556 /nfs/dbraw/zinc/50/65/56/691506556.db2.gz QFVBUIPRXOOALD-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133349 691517389 /nfs/dbraw/zinc/51/73/89/691517389.db2.gz JDTMHNAEVAVORS-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156471 691524149 /nfs/dbraw/zinc/52/41/49/691524149.db2.gz JGYSTJBTSZEMCB-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156471 691524151 /nfs/dbraw/zinc/52/41/51/691524151.db2.gz JGYSTJBTSZEMCB-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042288891 691559012 /nfs/dbraw/zinc/55/90/12/691559012.db2.gz WIZWOEZZGPJEKH-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042288890 691559299 /nfs/dbraw/zinc/55/92/99/691559299.db2.gz WIZWOEZZGPJEKH-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198070 691687839 /nfs/dbraw/zinc/68/78/39/691687839.db2.gz BKCCNMKGOPKNEN-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198070 691687841 /nfs/dbraw/zinc/68/78/41/691687841.db2.gz BKCCNMKGOPKNEN-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045963612 692063874 /nfs/dbraw/zinc/06/38/74/692063874.db2.gz LTMPZCGGGNRMOA-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000887136481 692289236 /nfs/dbraw/zinc/28/92/36/692289236.db2.gz UZKDEVFBNYVBDB-WBVHZDCISA-N 2 1 314.433 2.037 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528514 692640305 /nfs/dbraw/zinc/64/03/05/692640305.db2.gz YOEYUISYSMLILY-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528514 692640307 /nfs/dbraw/zinc/64/03/07/692640307.db2.gz YOEYUISYSMLILY-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528514 692640310 /nfs/dbraw/zinc/64/03/10/692640310.db2.gz YOEYUISYSMLILY-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049615453 692940479 /nfs/dbraw/zinc/94/04/79/692940479.db2.gz KCSJPADCBROVDI-KURKYZTESA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920597 693048076 /nfs/dbraw/zinc/04/80/76/693048076.db2.gz SOLDRGAYBIHKDW-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063496 693097571 /nfs/dbraw/zinc/09/75/71/693097571.db2.gz LXBQIKBTSUSJSF-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063496 693097573 /nfs/dbraw/zinc/09/75/73/693097573.db2.gz LXBQIKBTSUSJSF-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063496 693097577 /nfs/dbraw/zinc/09/75/77/693097577.db2.gz LXBQIKBTSUSJSF-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050086092 693104834 /nfs/dbraw/zinc/10/48/34/693104834.db2.gz UGULDUPRBLFTOG-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139754 693118608 /nfs/dbraw/zinc/11/86/08/693118608.db2.gz GCROMPRKNSPWJP-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139754 693118610 /nfs/dbraw/zinc/11/86/10/693118610.db2.gz GCROMPRKNSPWJP-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139754 693118613 /nfs/dbraw/zinc/11/86/13/693118613.db2.gz GCROMPRKNSPWJP-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050546173 693204777 /nfs/dbraw/zinc/20/47/77/693204777.db2.gz WYGSBLUYUXQDBS-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663009 693226968 /nfs/dbraw/zinc/22/69/68/693226968.db2.gz PQILNELBFWFSAQ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC#N)cc1 ZINC000925786163 693341449 /nfs/dbraw/zinc/34/14/49/693341449.db2.gz WKBRUHXHSYAODV-JSGCOSHPSA-N 2 1 309.360 2.484 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052375980 693518432 /nfs/dbraw/zinc/51/84/32/693518432.db2.gz ARHRMBCBJAVUIZ-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651726 693588634 /nfs/dbraw/zinc/58/86/34/693588634.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651726 693588637 /nfs/dbraw/zinc/58/86/37/693588637.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651726 693588642 /nfs/dbraw/zinc/58/86/42/693588642.db2.gz MNTIHXKTJKGDDH-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651857 693589125 /nfs/dbraw/zinc/58/91/25/693589125.db2.gz NVIFSNOHCRUWQY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651857 693589128 /nfs/dbraw/zinc/58/91/28/693589128.db2.gz NVIFSNOHCRUWQY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651857 693589131 /nfs/dbraw/zinc/58/91/31/693589131.db2.gz NVIFSNOHCRUWQY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107166 782192918 /nfs/dbraw/zinc/19/29/18/782192918.db2.gz WKHOVNAWANTUSX-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001380968045 1152887761 /nfs/dbraw/zinc/88/77/61/1152887761.db2.gz VFSKOGNHFQNETE-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001380968045 1152887762 /nfs/dbraw/zinc/88/77/62/1152887762.db2.gz VFSKOGNHFQNETE-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001380968045 1152887766 /nfs/dbraw/zinc/88/77/66/1152887766.db2.gz VFSKOGNHFQNETE-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001380968045 1152887768 /nfs/dbraw/zinc/88/77/68/1152887768.db2.gz VFSKOGNHFQNETE-AWEZNQCLSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001381986113 1153305898 /nfs/dbraw/zinc/30/58/98/1153305898.db2.gz SZNWEXKAEIGIFS-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001382020936 1153320351 /nfs/dbraw/zinc/32/03/51/1153320351.db2.gz XLTWITRZKNSXTE-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001391104162 1156117612 /nfs/dbraw/zinc/11/76/12/1156117612.db2.gz VPLRSGMYKMQKEC-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001391104162 1156117615 /nfs/dbraw/zinc/11/76/15/1156117615.db2.gz VPLRSGMYKMQKEC-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001391104162 1156117619 /nfs/dbraw/zinc/11/76/19/1156117619.db2.gz VPLRSGMYKMQKEC-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001391104162 1156117622 /nfs/dbraw/zinc/11/76/22/1156117622.db2.gz VPLRSGMYKMQKEC-AWEZNQCLSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001392074105 1156862493 /nfs/dbraw/zinc/86/24/93/1156862493.db2.gz JBOUEZUVHWRZQN-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001392796376 1157421937 /nfs/dbraw/zinc/42/19/37/1157421937.db2.gz LLAKVQCXNHNGNU-CQSZACIVSA-N 2 1 324.856 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001393738490 1157942733 /nfs/dbraw/zinc/94/27/33/1157942733.db2.gz LIQJCXIXKFHMQM-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376513811 1159493632 /nfs/dbraw/zinc/49/36/32/1159493632.db2.gz WCLJTFNCECZIEH-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001376513811 1159493639 /nfs/dbraw/zinc/49/36/39/1159493639.db2.gz WCLJTFNCECZIEH-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871561 /nfs/dbraw/zinc/87/15/61/1159871561.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871563 /nfs/dbraw/zinc/87/15/63/1159871563.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001571613981 1159871564 /nfs/dbraw/zinc/87/15/64/1159871564.db2.gz QADAYTZIHRPABE-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC001397164248 1160027452 /nfs/dbraw/zinc/02/74/52/1160027452.db2.gz ACXAWRFCCLGZPL-DOMZBBRYSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001377325429 1160219896 /nfs/dbraw/zinc/21/98/96/1160219896.db2.gz IOBNBDMEIBKWMC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001377325429 1160219906 /nfs/dbraw/zinc/21/99/06/1160219906.db2.gz IOBNBDMEIBKWMC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001377325429 1160219918 /nfs/dbraw/zinc/21/99/18/1160219918.db2.gz IOBNBDMEIBKWMC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001377325429 1160219931 /nfs/dbraw/zinc/21/99/31/1160219931.db2.gz IOBNBDMEIBKWMC-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001400105040 1161653936 /nfs/dbraw/zinc/65/39/36/1161653936.db2.gz XQXMTBXPGVQWEO-CQSZACIVSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001401954264 1162195138 /nfs/dbraw/zinc/19/51/38/1162195138.db2.gz SPJZLGUDLREVLK-AWEZNQCLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001417962204 1167330740 /nfs/dbraw/zinc/33/07/40/1167330740.db2.gz YVSQXHUAUWJYRU-CQSZACIVSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001419074045 1168180123 /nfs/dbraw/zinc/18/01/23/1168180123.db2.gz BGAHZFVDSGINKN-ZFWWWQNUSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001419613721 1168678162 /nfs/dbraw/zinc/67/81/62/1168678162.db2.gz XWRWEAXXLZMHFO-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422088058 1172294718 /nfs/dbraw/zinc/29/47/18/1172294718.db2.gz GKCSQBRQEIJTLY-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001422088058 1172294732 /nfs/dbraw/zinc/29/47/32/1172294732.db2.gz GKCSQBRQEIJTLY-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001423487455 1173370401 /nfs/dbraw/zinc/37/04/01/1173370401.db2.gz VZTZBMBPSXGUEL-AWEZNQCLSA-N 2 1 324.856 2.340 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001436669385 1179176661 /nfs/dbraw/zinc/17/66/61/1179176661.db2.gz OIEKNEXXEIGOKT-LSDHHAIUSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001438715146 1180784056 /nfs/dbraw/zinc/78/40/56/1180784056.db2.gz PLAGGQIWVHNSCW-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001438771282 1180808587 /nfs/dbraw/zinc/80/85/87/1180808587.db2.gz PJJDFDWRATYUMZ-GJZGRUSLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001441850212 1182214692 /nfs/dbraw/zinc/21/46/92/1182214692.db2.gz AHHXETNOROANMB-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001444006742 1183251913 /nfs/dbraw/zinc/25/19/13/1183251913.db2.gz OAOUMMHPOCVDRX-CYBMUJFWSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001447366332 1184746846 /nfs/dbraw/zinc/74/68/46/1184746846.db2.gz SKFLOCKYWQIAKP-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001447366332 1184746849 /nfs/dbraw/zinc/74/68/49/1184746849.db2.gz SKFLOCKYWQIAKP-UHFFFAOYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907739 790298556 /nfs/dbraw/zinc/29/85/56/790298556.db2.gz WFBOSXYORUAZOG-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907739 790298559 /nfs/dbraw/zinc/29/85/59/790298559.db2.gz WFBOSXYORUAZOG-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907739 790298564 /nfs/dbraw/zinc/29/85/64/790298564.db2.gz WFBOSXYORUAZOG-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271949 782600521 /nfs/dbraw/zinc/60/05/21/782600521.db2.gz PZXHJKWFJGUYCL-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357105 782797010 /nfs/dbraw/zinc/79/70/10/782797010.db2.gz RRLFKSPNESQVNP-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536256 783189841 /nfs/dbraw/zinc/18/98/41/783189841.db2.gz ANHFELMVAHAGSL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536256 783189847 /nfs/dbraw/zinc/18/98/47/783189847.db2.gz ANHFELMVAHAGSL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536256 783189851 /nfs/dbraw/zinc/18/98/51/783189851.db2.gz ANHFELMVAHAGSL-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686148 783205047 /nfs/dbraw/zinc/20/50/47/783205047.db2.gz UOQCMIIXHGECJT-DZGCQCFKSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686148 783205056 /nfs/dbraw/zinc/20/50/56/783205056.db2.gz UOQCMIIXHGECJT-DZGCQCFKSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167223835 776780033 /nfs/dbraw/zinc/78/00/33/776780033.db2.gz BCGXQLRDXQWTEL-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376372 777175202 /nfs/dbraw/zinc/17/52/02/777175202.db2.gz BQDZIMBCQJYJKZ-KURKYZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681233 777709022 /nfs/dbraw/zinc/70/90/22/777709022.db2.gz CFSHMUPUACIEIG-UHFFFAOYSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087318433 777783085 /nfs/dbraw/zinc/78/30/85/777783085.db2.gz XSZRMDHDVBGTAO-NXHRZFHOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105067384 778322987 /nfs/dbraw/zinc/32/29/87/778322987.db2.gz YJCYSBUUDVXJGF-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665728 /nfs/dbraw/zinc/66/57/28/790665728.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665732 /nfs/dbraw/zinc/66/57/32/790665732.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454387 790665736 /nfs/dbraw/zinc/66/57/36/790665736.db2.gz LMBOESUBOCKEGU-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460676 790669068 /nfs/dbraw/zinc/66/90/68/790669068.db2.gz IGJBIMLJTLADOE-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784793 779232769 /nfs/dbraw/zinc/23/27/69/779232769.db2.gz HWDUNKVCUUPABZ-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784793 779232776 /nfs/dbraw/zinc/23/27/76/779232776.db2.gz HWDUNKVCUUPABZ-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640635 779393163 /nfs/dbraw/zinc/39/31/63/779393163.db2.gz ODLXBOURPUWGQQ-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=C)C)C1 ZINC001088328941 779966217 /nfs/dbraw/zinc/96/62/17/779966217.db2.gz JTLRDYRFIPYEOZ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=C)C)C1 ZINC001088328941 779966223 /nfs/dbraw/zinc/96/62/23/779966223.db2.gz JTLRDYRFIPYEOZ-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329947 779968014 /nfs/dbraw/zinc/96/80/14/779968014.db2.gz LENMOZNSLZBKNW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075906555 780532950 /nfs/dbraw/zinc/53/29/50/780532950.db2.gz QBLAMRDYHDWXRI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906555 780532955 /nfs/dbraw/zinc/53/29/55/780532955.db2.gz QBLAMRDYHDWXRI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906555 780532960 /nfs/dbraw/zinc/53/29/60/780532960.db2.gz QBLAMRDYHDWXRI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291485 780809750 /nfs/dbraw/zinc/80/97/50/780809750.db2.gz YXOXZNFHJXHCIB-IYBDPMFKSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768915 780969291 /nfs/dbraw/zinc/96/92/91/780969291.db2.gz JVPTZEBMFXXXCG-HYVNUMGLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791846 780992196 /nfs/dbraw/zinc/99/21/96/780992196.db2.gz GNXAUOKRFUPZFY-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3ccnc3)[C@@H]2C1 ZINC001076303152 781203260 /nfs/dbraw/zinc/20/32/60/781203260.db2.gz LMDRELWQAIHWET-IXDOHACOSA-N 2 1 316.449 2.333 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616526 783283190 /nfs/dbraw/zinc/28/31/90/783283190.db2.gz JHZSJWDVAVTKHV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616526 783283195 /nfs/dbraw/zinc/28/31/95/783283195.db2.gz JHZSJWDVAVTKHV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616526 783283202 /nfs/dbraw/zinc/28/32/02/783283202.db2.gz JHZSJWDVAVTKHV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089647849 783318631 /nfs/dbraw/zinc/31/86/31/783318631.db2.gz BRZSJARPKUOLEP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647849 783318638 /nfs/dbraw/zinc/31/86/38/783318638.db2.gz BRZSJARPKUOLEP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647849 783318643 /nfs/dbraw/zinc/31/86/43/783318643.db2.gz BRZSJARPKUOLEP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647849 783318650 /nfs/dbraw/zinc/31/86/50/783318650.db2.gz BRZSJARPKUOLEP-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732139 783396706 /nfs/dbraw/zinc/39/67/06/783396706.db2.gz NLKIHLGDEAUZCW-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732139 783396714 /nfs/dbraw/zinc/39/67/14/783396714.db2.gz NLKIHLGDEAUZCW-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732139 783396723 /nfs/dbraw/zinc/39/67/23/783396723.db2.gz NLKIHLGDEAUZCW-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cncn1C)C2 ZINC001111274974 783488376 /nfs/dbraw/zinc/48/83/76/783488376.db2.gz NRHSBIMFPPJPTD-SRABZTEZSA-N 2 1 316.449 2.039 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001085331698 783642209 /nfs/dbraw/zinc/64/22/09/783642209.db2.gz WSFCZGPSDSJJPK-RRFJBIMHSA-N 2 1 313.873 2.240 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090406 783881292 /nfs/dbraw/zinc/88/12/92/783881292.db2.gz TYSJRWMITIOIJU-KSSFIOAISA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264158 783914828 /nfs/dbraw/zinc/91/48/28/783914828.db2.gz HHKDFWWRNKQRRI-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986582 784283174 /nfs/dbraw/zinc/28/31/74/784283174.db2.gz IBLIVDPWOAXONE-MRXNPFEDSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986582 784283180 /nfs/dbraw/zinc/28/31/80/784283180.db2.gz IBLIVDPWOAXONE-MRXNPFEDSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985346 784287511 /nfs/dbraw/zinc/28/75/11/784287511.db2.gz ZTMNNXRWXYAISQ-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968954499 784669667 /nfs/dbraw/zinc/66/96/67/784669667.db2.gz DVMFVIBMFKOGQI-KRWDZBQOSA-N 2 1 324.428 2.332 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724412 784983209 /nfs/dbraw/zinc/98/32/09/784983209.db2.gz VKAOLDASOJVOJV-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169119340 785042659 /nfs/dbraw/zinc/04/26/59/785042659.db2.gz ROZMMTWEFCRQFW-OSYLJGHBSA-N 2 1 321.465 2.236 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113345766 786538154 /nfs/dbraw/zinc/53/81/54/786538154.db2.gz FFEHGYJKYGPDBA-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113345766 786538160 /nfs/dbraw/zinc/53/81/60/786538160.db2.gz FFEHGYJKYGPDBA-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001113346252 786538906 /nfs/dbraw/zinc/53/89/06/786538906.db2.gz SWWAYYFTOUWXID-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001113346320 786539033 /nfs/dbraw/zinc/53/90/33/786539033.db2.gz VKZGYCNMGBXMSC-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001113346320 786539037 /nfs/dbraw/zinc/53/90/37/786539037.db2.gz VKZGYCNMGBXMSC-KRWDZBQOSA-N 2 1 309.498 2.443 20 30 DEEDMP C(#Cc1ccccc1)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170427233 787040653 /nfs/dbraw/zinc/04/06/53/787040653.db2.gz IVNFREVAUSVJQT-UHFFFAOYSA-N 2 1 302.381 2.485 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141024 787945874 /nfs/dbraw/zinc/94/58/74/787945874.db2.gz OBNWCLUBYSWGHZ-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141024 787945878 /nfs/dbraw/zinc/94/58/78/787945878.db2.gz OBNWCLUBYSWGHZ-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141024 787945881 /nfs/dbraw/zinc/94/58/81/787945881.db2.gz OBNWCLUBYSWGHZ-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141024 787945886 /nfs/dbraw/zinc/94/58/86/787945886.db2.gz OBNWCLUBYSWGHZ-HZPDHXFCSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063627 787962698 /nfs/dbraw/zinc/96/26/98/787962698.db2.gz OOZWIGBSXYQNLY-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063627 787962703 /nfs/dbraw/zinc/96/27/03/787962703.db2.gz OOZWIGBSXYQNLY-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063627 787962707 /nfs/dbraw/zinc/96/27/07/787962707.db2.gz OOZWIGBSXYQNLY-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204176 787973904 /nfs/dbraw/zinc/97/39/04/787973904.db2.gz UEJYEHULIHCQOA-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132204176 787973909 /nfs/dbraw/zinc/97/39/09/787973909.db2.gz UEJYEHULIHCQOA-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132519029 788107326 /nfs/dbraw/zinc/10/73/26/788107326.db2.gz RNYOREUJFBIEJL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524093 788113036 /nfs/dbraw/zinc/11/30/36/788113036.db2.gz CZOIMPBUVHZMCK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121291 788287810 /nfs/dbraw/zinc/28/78/10/788287810.db2.gz GBHOMZNMPVSPTR-SJORKVTESA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123044 788287987 /nfs/dbraw/zinc/28/79/87/788287987.db2.gz XYZDCMADVARUMQ-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481805 789358428 /nfs/dbraw/zinc/35/84/28/789358428.db2.gz XSFQQQQJBOVRHH-SJORKVTESA-N 2 1 317.477 2.220 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678557 789444537 /nfs/dbraw/zinc/44/45/37/789444537.db2.gz GAXWYJMVDKIRLT-CABCVRRESA-N 2 1 306.454 2.421 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509033 789748838 /nfs/dbraw/zinc/74/88/38/789748838.db2.gz WPIFMXUAZXSKHW-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509033 789748842 /nfs/dbraw/zinc/74/88/42/789748842.db2.gz WPIFMXUAZXSKHW-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071599825 789803620 /nfs/dbraw/zinc/80/36/20/789803620.db2.gz AXHXOCPFVGXJTP-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600045 789804014 /nfs/dbraw/zinc/80/40/14/789804014.db2.gz FERLHGRTXHXIID-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071651458 789842016 /nfs/dbraw/zinc/84/20/16/789842016.db2.gz IWBPXWJZUPLNQF-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)C1 ZINC001072813374 790256756 /nfs/dbraw/zinc/25/67/56/790256756.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072813374 790256759 /nfs/dbraw/zinc/25/67/59/790256759.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813374 790256764 /nfs/dbraw/zinc/25/67/64/790256764.db2.gz PEXDKKCGIZDWNK-KRWDZBQOSA-N 2 1 317.477 2.114 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC=C ZINC001171308767 791561574 /nfs/dbraw/zinc/56/15/74/791561574.db2.gz WCRMZLGXYIPRBG-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC=C ZINC001171308767 791561577 /nfs/dbraw/zinc/56/15/77/791561577.db2.gz WCRMZLGXYIPRBG-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666501 791636215 /nfs/dbraw/zinc/63/62/15/791636215.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666501 791636220 /nfs/dbraw/zinc/63/62/20/791636220.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091666501 791636225 /nfs/dbraw/zinc/63/62/25/791636225.db2.gz AMNHPTAMPVPQLD-LMMKCTJWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226527 791715400 /nfs/dbraw/zinc/71/54/00/791715400.db2.gz IOBAJHUNFPUVMJ-MRXNPFEDSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657519 791789752 /nfs/dbraw/zinc/78/97/52/791789752.db2.gz VNGZVYRKBGWREQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657519 791789755 /nfs/dbraw/zinc/78/97/55/791789755.db2.gz VNGZVYRKBGWREQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657519 791789758 /nfs/dbraw/zinc/78/97/58/791789758.db2.gz VNGZVYRKBGWREQ-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952749 791863050 /nfs/dbraw/zinc/86/30/50/791863050.db2.gz PHPODHTVYUGRHY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956551 791863828 /nfs/dbraw/zinc/86/38/28/791863828.db2.gz PWQCXDAMTZQHAH-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835052 791957552 /nfs/dbraw/zinc/95/75/52/791957552.db2.gz IPPPUQAYZGDVFO-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835052 791957557 /nfs/dbraw/zinc/95/75/57/791957557.db2.gz IPPPUQAYZGDVFO-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835052 791957561 /nfs/dbraw/zinc/95/75/61/791957561.db2.gz IPPPUQAYZGDVFO-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875208 791971709 /nfs/dbraw/zinc/97/17/09/791971709.db2.gz ONMNZRGTRKAECD-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875208 791971714 /nfs/dbraw/zinc/97/17/14/791971714.db2.gz ONMNZRGTRKAECD-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875208 791971722 /nfs/dbraw/zinc/97/17/22/791971722.db2.gz ONMNZRGTRKAECD-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098983492 792017034 /nfs/dbraw/zinc/01/70/34/792017034.db2.gz KVTBUFJWQXUHOW-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098983492 792017045 /nfs/dbraw/zinc/01/70/45/792017045.db2.gz KVTBUFJWQXUHOW-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983492 792017056 /nfs/dbraw/zinc/01/70/56/792017056.db2.gz KVTBUFJWQXUHOW-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983492 792017067 /nfs/dbraw/zinc/01/70/67/792017067.db2.gz KVTBUFJWQXUHOW-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010822 792032977 /nfs/dbraw/zinc/03/29/77/792032977.db2.gz OSMQCMUTOKDBBL-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110908 792100543 /nfs/dbraw/zinc/10/05/43/792100543.db2.gz LTNKYUJRQOIWQI-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110908 792100546 /nfs/dbraw/zinc/10/05/46/792100546.db2.gz LTNKYUJRQOIWQI-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110908 792100552 /nfs/dbraw/zinc/10/05/52/792100552.db2.gz LTNKYUJRQOIWQI-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310149 792166641 /nfs/dbraw/zinc/16/66/41/792166641.db2.gz ILSXFOZANWRAJL-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521748 792231158 /nfs/dbraw/zinc/23/11/58/792231158.db2.gz SRIFHSXJSVPXLO-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099551699 792239330 /nfs/dbraw/zinc/23/93/30/792239330.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551699 792239336 /nfs/dbraw/zinc/23/93/36/792239336.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099551699 792239343 /nfs/dbraw/zinc/23/93/43/792239343.db2.gz BPOBKWUYRODDBM-MLHJIOFPSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410639 792635359 /nfs/dbraw/zinc/63/53/59/792635359.db2.gz GKIDYPCKFKXRLR-FHERZECASA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100415178 792636800 /nfs/dbraw/zinc/63/68/00/792636800.db2.gz CAAYYGIRTNHWPJ-JCYILVPMSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1 ZINC001100415178 792636806 /nfs/dbraw/zinc/63/68/06/792636806.db2.gz CAAYYGIRTNHWPJ-JCYILVPMSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858053 792882852 /nfs/dbraw/zinc/88/28/52/792882852.db2.gz CRAMWBZWHLTMSR-VMWRSERWSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419004 792909573 /nfs/dbraw/zinc/90/95/73/792909573.db2.gz KQKXGEQXWKLPJP-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419004 792909578 /nfs/dbraw/zinc/90/95/78/792909578.db2.gz KQKXGEQXWKLPJP-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419004 792909585 /nfs/dbraw/zinc/90/95/85/792909585.db2.gz KQKXGEQXWKLPJP-YWTNHNAXSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100981016 792953790 /nfs/dbraw/zinc/95/37/90/792953790.db2.gz QYTHEJAIYWKNDU-CGZBRXJRSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133992 /nfs/dbraw/zinc/13/39/92/793133992.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133994 /nfs/dbraw/zinc/13/39/94/793133994.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364081 793133995 /nfs/dbraw/zinc/13/39/95/793133995.db2.gz MOODZVICQNNRKV-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629037 793139471 /nfs/dbraw/zinc/13/94/71/793139471.db2.gz GKNFMSLZCNSWEO-AWEZNQCLSA-N 2 1 322.453 2.191 20 30 DEEDMP C=CCN1CCC[C@@H]([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)C1=O ZINC001171625099 793156190 /nfs/dbraw/zinc/15/61/90/793156190.db2.gz BSOZCBXQJXRYIA-OAHLLOKOSA-N 2 1 307.482 2.404 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646063 793158386 /nfs/dbraw/zinc/15/83/86/793158386.db2.gz IBGNMGAXUXRMQP-MSOLQXFVSA-N 2 1 321.509 2.395 20 30 DEEDMP COC(=O)C1(C#N)CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171640654 793172842 /nfs/dbraw/zinc/17/28/42/793172842.db2.gz IRHYTHLRWWGXIS-UHFFFAOYSA-N 2 1 321.465 2.417 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522215 793204826 /nfs/dbraw/zinc/20/48/26/793204826.db2.gz QDIRHHQNPSHFPB-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189121 793525220 /nfs/dbraw/zinc/52/52/20/793525220.db2.gz XFXKOVFOWHOMLV-KBAYOESNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524720 793640424 /nfs/dbraw/zinc/64/04/24/793640424.db2.gz SORQKYQQOSQLLJ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524720 793640428 /nfs/dbraw/zinc/64/04/28/793640428.db2.gz SORQKYQQOSQLLJ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524720 793640432 /nfs/dbraw/zinc/64/04/32/793640432.db2.gz SORQKYQQOSQLLJ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102780952 793752588 /nfs/dbraw/zinc/75/25/88/793752588.db2.gz WHBXXOMTBTZITC-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102780952 793752595 /nfs/dbraw/zinc/75/25/95/793752595.db2.gz WHBXXOMTBTZITC-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102780952 793752602 /nfs/dbraw/zinc/75/26/02/793752602.db2.gz WHBXXOMTBTZITC-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103193925 793978356 /nfs/dbraw/zinc/97/83/56/793978356.db2.gz QTSRYEYZTPDZEC-GDBMZVCRSA-N 2 1 312.417 2.208 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103268282 794011221 /nfs/dbraw/zinc/01/12/21/794011221.db2.gz VKLUPEDVOJLGRJ-KBAYOESNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103614923 794159513 /nfs/dbraw/zinc/15/95/13/794159513.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103614923 794159509 /nfs/dbraw/zinc/15/95/09/794159509.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103614923 794159534 /nfs/dbraw/zinc/15/95/34/794159534.db2.gz WKMVSLNWDXDCDU-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175262144 794171951 /nfs/dbraw/zinc/17/19/51/794171951.db2.gz BYZZJUJODDGFEB-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648142 794176794 /nfs/dbraw/zinc/17/67/94/794176794.db2.gz WEDRPWURLOHOFV-HUUCEWRRSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305595 794729335 /nfs/dbraw/zinc/72/93/35/794729335.db2.gz ADEYVRKGTSQIOH-MLHJIOFPSA-N 2 1 319.493 2.119 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768574 794913907 /nfs/dbraw/zinc/91/39/07/794913907.db2.gz CMSWEEUEKZQOHY-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178472509 794931869 /nfs/dbraw/zinc/93/18/69/794931869.db2.gz XDTFQSOBHMWZQI-QGZVFWFLSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484365 794935965 /nfs/dbraw/zinc/93/59/65/794935965.db2.gz UCNQWHUSXGVUHC-DLBZAZTESA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033752 795055092 /nfs/dbraw/zinc/05/50/92/795055092.db2.gz VPTBMMNRUURFDZ-UHFFFAOYSA-N 2 1 318.465 2.214 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179587371 795138549 /nfs/dbraw/zinc/13/85/49/795138549.db2.gz ZWTONARKHCMFRM-HIFRSBDPSA-N 2 1 315.889 2.203 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430150 795458999 /nfs/dbraw/zinc/45/89/99/795458999.db2.gz IPACKNQCANATDL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439484 795459355 /nfs/dbraw/zinc/45/93/55/795459355.db2.gz HBBISEIFFLMBHV-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440482 795461388 /nfs/dbraw/zinc/46/13/88/795461388.db2.gz NQPNALDTCRJFKS-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440482 795461392 /nfs/dbraw/zinc/46/13/92/795461392.db2.gz NQPNALDTCRJFKS-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440482 795461395 /nfs/dbraw/zinc/46/13/95/795461395.db2.gz NQPNALDTCRJFKS-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121246441 795608060 /nfs/dbraw/zinc/60/80/60/795608060.db2.gz PYEQUSNQECVTIN-UHFFFAOYSA-N 2 1 319.493 2.454 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182684555 795733420 /nfs/dbraw/zinc/73/34/20/795733420.db2.gz QXKYCADZCGPTLU-BRWVUGGUSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240680 795836186 /nfs/dbraw/zinc/83/61/86/795836186.db2.gz PGRWARJAZMETIH-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001137552889 796113053 /nfs/dbraw/zinc/11/30/53/796113053.db2.gz HPPFKCGDEHKBOM-IAGOWNOFSA-N 2 1 315.461 2.226 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185167185 796200165 /nfs/dbraw/zinc/20/01/65/796200165.db2.gz CXDHBPMOASZHFW-DLBZAZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307391 796233148 /nfs/dbraw/zinc/23/31/48/796233148.db2.gz POVKHEBTJMJTLR-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161205904 796451617 /nfs/dbraw/zinc/45/16/17/796451617.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161205904 796451620 /nfs/dbraw/zinc/45/16/20/796451620.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161205904 796451623 /nfs/dbraw/zinc/45/16/23/796451623.db2.gz HRXPYYDOXULABE-INIZCTEOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161205907 796474718 /nfs/dbraw/zinc/47/47/18/796474718.db2.gz HRXPYYDOXULABE-MRXNPFEDSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018447 796757393 /nfs/dbraw/zinc/75/73/93/796757393.db2.gz QHIVSMXPDDQLQH-RYQLBKOJSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055193 796760915 /nfs/dbraw/zinc/76/09/15/796760915.db2.gz OSTBGKXRAYVXRS-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389234 796816762 /nfs/dbraw/zinc/81/67/62/796816762.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389234 796816765 /nfs/dbraw/zinc/81/67/65/796816765.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389234 796816767 /nfs/dbraw/zinc/81/67/67/796816767.db2.gz IWYUDRCEBVSOAA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084461 796935532 /nfs/dbraw/zinc/93/55/32/796935532.db2.gz NSMKORKPADPTCE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084461 796935535 /nfs/dbraw/zinc/93/55/35/796935535.db2.gz NSMKORKPADPTCE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084461 796935539 /nfs/dbraw/zinc/93/55/39/796935539.db2.gz NSMKORKPADPTCE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191080604 797133877 /nfs/dbraw/zinc/13/38/77/797133877.db2.gz JQHHDHZFJUIQGN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080604 797133880 /nfs/dbraw/zinc/13/38/80/797133880.db2.gz JQHHDHZFJUIQGN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191080604 797133884 /nfs/dbraw/zinc/13/38/84/797133884.db2.gz JQHHDHZFJUIQGN-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316834 797361791 /nfs/dbraw/zinc/36/17/91/797361791.db2.gz QEAVAJWVUZGIKR-HUUCEWRRSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192316834 797361799 /nfs/dbraw/zinc/36/17/99/797361799.db2.gz QEAVAJWVUZGIKR-HUUCEWRRSA-N 2 1 315.889 2.392 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677420 797374952 /nfs/dbraw/zinc/37/49/52/797374952.db2.gz CPWMFWHPBOBZGE-CABCVRRESA-N 2 1 301.450 2.069 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382802 797556152 /nfs/dbraw/zinc/55/61/52/797556152.db2.gz MUTMAOHHWWZQHJ-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792314 797708435 /nfs/dbraw/zinc/70/84/35/797708435.db2.gz OSSASHFPWMLTIL-HOTGVXAUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342063 797979124 /nfs/dbraw/zinc/97/91/24/797979124.db2.gz TYJULGNIKFAVQX-APWZRJJASA-N 2 1 317.477 2.476 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158111 798156812 /nfs/dbraw/zinc/15/68/12/798156812.db2.gz HLYMJQVYNJTZDQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158111 798156815 /nfs/dbraw/zinc/15/68/15/798156815.db2.gz HLYMJQVYNJTZDQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158111 798156819 /nfs/dbraw/zinc/15/68/19/798156819.db2.gz HLYMJQVYNJTZDQ-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221681 798295652 /nfs/dbraw/zinc/29/56/52/798295652.db2.gz MWWZKCCEMMFPMU-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951178 798312357 /nfs/dbraw/zinc/31/23/57/798312357.db2.gz RQIWGUTXDLAIPR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951178 798312362 /nfs/dbraw/zinc/31/23/62/798312362.db2.gz RQIWGUTXDLAIPR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951178 798312367 /nfs/dbraw/zinc/31/23/67/798312367.db2.gz RQIWGUTXDLAIPR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159900936 798624001 /nfs/dbraw/zinc/62/40/01/798624001.db2.gz DTOPFILKZJUATG-AWEZNQCLSA-N 2 1 301.862 2.098 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c12 ZINC001160745301 798735228 /nfs/dbraw/zinc/73/52/28/798735228.db2.gz VUTYNIQLTODSLA-VHSXEESVSA-N 2 1 309.295 2.387 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553934 798883623 /nfs/dbraw/zinc/88/36/23/798883623.db2.gz JRYDPVVNIYWVJG-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161869816 798953214 /nfs/dbraw/zinc/95/32/14/798953214.db2.gz LWVWIRKYLPLIMF-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161869816 798953222 /nfs/dbraw/zinc/95/32/22/798953222.db2.gz LWVWIRKYLPLIMF-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161869816 798953230 /nfs/dbraw/zinc/95/32/30/798953230.db2.gz LWVWIRKYLPLIMF-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463521 799128851 /nfs/dbraw/zinc/12/88/51/799128851.db2.gz IWUMUQUNWVOMKG-TWMKSMIVSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481787 799522006 /nfs/dbraw/zinc/52/20/06/799522006.db2.gz UWUHNAQPELEDLA-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C[NH+](C)C1(CNc2ccc3c(c2)CC/C3=N/O)CC[NH+](C)CC1 ZINC001164217191 799542722 /nfs/dbraw/zinc/54/27/22/799542722.db2.gz RGKWSHHECOVAPV-JZJYNLBNSA-N 2 1 316.449 2.249 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578569 799626359 /nfs/dbraw/zinc/62/63/59/799626359.db2.gz HNSKJTCTBXFZAS-OAHLLOKOSA-N 2 1 318.465 2.459 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668582 799688159 /nfs/dbraw/zinc/68/81/59/799688159.db2.gz RXAFAEMPABWMLR-OWSLCNJRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485150 799736819 /nfs/dbraw/zinc/73/68/19/799736819.db2.gz NPSUSVLYEIILHY-OAHLLOKOSA-N 2 1 316.449 2.213 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001165545467 799745012 /nfs/dbraw/zinc/74/50/12/799745012.db2.gz KJGAYMQWPGMIAQ-SJORKVTESA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](C)CC)CC1 ZINC001165545467 799745015 /nfs/dbraw/zinc/74/50/15/799745015.db2.gz KJGAYMQWPGMIAQ-SJORKVTESA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165728404 799766649 /nfs/dbraw/zinc/76/66/49/799766649.db2.gz QWRSKSWPEXHHGN-IAGOWNOFSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205335371 800344656 /nfs/dbraw/zinc/34/46/56/800344656.db2.gz YMINSJDNVMYZOG-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208113880 800915448 /nfs/dbraw/zinc/91/54/48/800915448.db2.gz JSXOPSGWJJBFHN-KBAYOESNSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001208596620 801023766 /nfs/dbraw/zinc/02/37/66/801023766.db2.gz VUPOBOWSDCCCSF-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208604759 801026328 /nfs/dbraw/zinc/02/63/28/801026328.db2.gz TYCQUXFBVKUUJO-MRXNPFEDSA-N 2 1 309.454 2.095 20 30 DEEDMP COc1cccc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210269605 801364320 /nfs/dbraw/zinc/36/43/20/801364320.db2.gz YEUBYCHYADYQBU-UHFFFAOYSA-N 2 1 309.373 2.115 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230592304 801431101 /nfs/dbraw/zinc/43/11/01/801431101.db2.gz YANSDLIXRAAEME-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215930099 801919725 /nfs/dbraw/zinc/91/97/25/801919725.db2.gz OMEKBESDRLRYHT-IUODEOHRSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845058 802031976 /nfs/dbraw/zinc/03/19/76/802031976.db2.gz VRNOVNCWPMXFNW-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234344750 802358507 /nfs/dbraw/zinc/35/85/07/802358507.db2.gz CRKWVSHSTSPBKC-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631526 802599204 /nfs/dbraw/zinc/59/92/04/802599204.db2.gz VEANENBFWWFQQO-ZACQAIPSSA-N 2 1 307.482 2.072 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221878069 802624087 /nfs/dbraw/zinc/62/40/87/802624087.db2.gz ZPNCGIJTPDUSTD-BRWVUGGUSA-N 2 1 307.482 2.072 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013742 802633310 /nfs/dbraw/zinc/63/33/10/802633310.db2.gz JOSBXOXYVHKRRD-KZNAEPCWSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013742 802633311 /nfs/dbraw/zinc/63/33/11/802633311.db2.gz JOSBXOXYVHKRRD-KZNAEPCWSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013742 802633314 /nfs/dbraw/zinc/63/33/14/802633314.db2.gz JOSBXOXYVHKRRD-KZNAEPCWSA-N 2 1 321.509 2.441 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223977727 802827837 /nfs/dbraw/zinc/82/78/37/802827837.db2.gz JPWAAZCGZHPBHI-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001223977727 802827842 /nfs/dbraw/zinc/82/78/42/802827842.db2.gz JPWAAZCGZHPBHI-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223977727 802827846 /nfs/dbraw/zinc/82/78/46/802827846.db2.gz JPWAAZCGZHPBHI-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223977727 802827853 /nfs/dbraw/zinc/82/78/53/802827853.db2.gz JPWAAZCGZHPBHI-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226615734 803131242 /nfs/dbraw/zinc/13/12/42/803131242.db2.gz YRAXLELEFKXUGS-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228623617 803382401 /nfs/dbraw/zinc/38/24/01/803382401.db2.gz GASMAVKFDSRUPU-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001501670098 1059624916 /nfs/dbraw/zinc/62/49/16/1059624916.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001501670098 1059624920 /nfs/dbraw/zinc/62/49/20/1059624920.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 2 1 315.461 2.262 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001501670098 1059624928 /nfs/dbraw/zinc/62/49/28/1059624928.db2.gz HIUVTKXUICPXFP-SFHVURJKSA-N 2 1 315.461 2.262 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001502245984 1060047292 /nfs/dbraw/zinc/04/72/92/1060047292.db2.gz LTFYJMJANHANHT-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001472971350 1060628696 /nfs/dbraw/zinc/62/86/96/1060628696.db2.gz ZLWGHDNKYUWJFD-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001472971350 1060628710 /nfs/dbraw/zinc/62/87/10/1060628710.db2.gz ZLWGHDNKYUWJFD-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)[C@H](CO)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473807161 1060731826 /nfs/dbraw/zinc/73/18/26/1060731826.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473807161 1060731836 /nfs/dbraw/zinc/73/18/36/1060731836.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473807161 1060731851 /nfs/dbraw/zinc/73/18/51/1060731851.db2.gz KETRZTZKZSBPRI-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001505775484 1060955235 /nfs/dbraw/zinc/95/52/35/1060955235.db2.gz YHMLJDZZZQEPDL-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479321388 1061391197 /nfs/dbraw/zinc/39/11/97/1061391197.db2.gz LTEFLFSRYHRFBW-OKILXGFUSA-N 2 1 315.889 2.201 20 30 DEEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479624873 1061532079 /nfs/dbraw/zinc/53/20/79/1061532079.db2.gz TUXOJHPPMGOOLH-QZTJIDSGSA-N 2 1 315.461 2.098 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479830878 1061860184 /nfs/dbraw/zinc/86/01/84/1061860184.db2.gz RJNJUMHMVFCUOA-SJORKVTESA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479830859 1061860750 /nfs/dbraw/zinc/86/07/50/1061860750.db2.gz RJNJUMHMVFCUOA-DLBZAZTESA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479852016 1061912750 /nfs/dbraw/zinc/91/27/50/1061912750.db2.gz UCAGCNPLEMPMEG-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479852016 1061912775 /nfs/dbraw/zinc/91/27/75/1061912775.db2.gz UCAGCNPLEMPMEG-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479852016 1061912725 /nfs/dbraw/zinc/91/27/25/1061912725.db2.gz UCAGCNPLEMPMEG-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001479870647 1061960240 /nfs/dbraw/zinc/96/02/40/1061960240.db2.gz KLVHTYKJZKJVKO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001479870647 1061960256 /nfs/dbraw/zinc/96/02/56/1061960256.db2.gz KLVHTYKJZKJVKO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001479870647 1061960286 /nfs/dbraw/zinc/96/02/86/1061960286.db2.gz KLVHTYKJZKJVKO-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506894998 1062483813 /nfs/dbraw/zinc/48/38/13/1062483813.db2.gz YTLOJBUVULSPGC-QAETUUGQSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480724648 1063247704 /nfs/dbraw/zinc/24/77/04/1063247704.db2.gz KVNZTGVNNVTHCC-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001480741602 1063282756 /nfs/dbraw/zinc/28/27/56/1063282756.db2.gz VUNRBRUWDAMSPD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001480741602 1063282782 /nfs/dbraw/zinc/28/27/82/1063282782.db2.gz VUNRBRUWDAMSPD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001480741602 1063282807 /nfs/dbraw/zinc/28/28/07/1063282807.db2.gz VUNRBRUWDAMSPD-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001508060234 1063527419 /nfs/dbraw/zinc/52/74/19/1063527419.db2.gz ZOZYXSUYAFJVRC-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493237742 1063659061 /nfs/dbraw/zinc/65/90/61/1063659061.db2.gz SCEJEBBUWANTMP-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001493237742 1063659064 /nfs/dbraw/zinc/65/90/64/1063659064.db2.gz SCEJEBBUWANTMP-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001493832699 1063981650 /nfs/dbraw/zinc/98/16/50/1063981650.db2.gz YRQUDHKYIQQHAB-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178398 1064159984 /nfs/dbraw/zinc/15/99/84/1064159984.db2.gz IYFVQPOYDXJICZ-IAGOWNOFSA-N 2 1 307.482 2.073 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567419233 1064192016 /nfs/dbraw/zinc/19/20/16/1064192016.db2.gz KKOKSWDPAPYZLX-SJORKVTESA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567419233 1064192018 /nfs/dbraw/zinc/19/20/18/1064192018.db2.gz KKOKSWDPAPYZLX-SJORKVTESA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567419233 1064192020 /nfs/dbraw/zinc/19/20/20/1064192020.db2.gz KKOKSWDPAPYZLX-SJORKVTESA-N 2 1 309.498 2.347 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001567634825 1064295535 /nfs/dbraw/zinc/29/55/35/1064295535.db2.gz RNKFTTHFVYUOFZ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCCCC)C1 ZINC001494830866 1064496031 /nfs/dbraw/zinc/49/60/31/1064496031.db2.gz SLXSEWQJTLHTTH-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCCCC)C1 ZINC001494830866 1064496046 /nfs/dbraw/zinc/49/60/46/1064496046.db2.gz SLXSEWQJTLHTTH-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCC)C1 ZINC001494830866 1064496061 /nfs/dbraw/zinc/49/60/61/1064496061.db2.gz SLXSEWQJTLHTTH-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCCCC)C1 ZINC001494830866 1064496068 /nfs/dbraw/zinc/49/60/68/1064496068.db2.gz SLXSEWQJTLHTTH-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH2+]C[C@](C)(NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001568024543 1064602255 /nfs/dbraw/zinc/60/22/55/1064602255.db2.gz DPOLGHDRWPAABI-IBGZPJMESA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568044004 1064615493 /nfs/dbraw/zinc/61/54/93/1064615493.db2.gz ROLQOIHGVIEMPY-YJBOKZPZSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001568176009 1064684558 /nfs/dbraw/zinc/68/45/58/1064684558.db2.gz PIYXUSQJMLVWOJ-RDJZCZTQSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001568274387 1064745971 /nfs/dbraw/zinc/74/59/71/1064745971.db2.gz UYJUPEMYWOGXHJ-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495268555 1064797690 /nfs/dbraw/zinc/79/76/90/1064797690.db2.gz UDMPRDUBQVYOES-WMZOPIPTSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568385489 1064827131 /nfs/dbraw/zinc/82/71/31/1064827131.db2.gz GQMFVVITNKNILP-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001568412277 1064850066 /nfs/dbraw/zinc/85/00/66/1064850066.db2.gz QFKXBEPGMVCPCZ-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001495559825 1064981568 /nfs/dbraw/zinc/98/15/68/1064981568.db2.gz GKOXSWPFJATMER-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001495962198 1065196744 /nfs/dbraw/zinc/19/67/44/1065196744.db2.gz DKSJINYBWPWPDM-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001496313146 1065401869 /nfs/dbraw/zinc/40/18/69/1065401869.db2.gz VYQCCRPSZXZEPU-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569386857 1065484974 /nfs/dbraw/zinc/48/49/74/1065484974.db2.gz WZDXBBSGTCDAPE-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001569707179 1065681776 /nfs/dbraw/zinc/68/17/76/1065681776.db2.gz OBVBUCYJZADFTB-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001569813456 1065735099 /nfs/dbraw/zinc/73/50/99/1065735099.db2.gz HVGMZGPNBPTHOW-JKSUJKDBSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001569859646 1065771152 /nfs/dbraw/zinc/77/11/52/1065771152.db2.gz CULUKQGQHYLLMS-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001569860939 1065774145 /nfs/dbraw/zinc/77/41/45/1065774145.db2.gz ICBCZSAJYATVLS-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001569860939 1065774154 /nfs/dbraw/zinc/77/41/54/1065774154.db2.gz ICBCZSAJYATVLS-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001569860939 1065774162 /nfs/dbraw/zinc/77/41/62/1065774162.db2.gz ICBCZSAJYATVLS-ZJPYXAASSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001569863944 1065775281 /nfs/dbraw/zinc/77/52/81/1065775281.db2.gz DBKQTHLSJWWDNR-QAQDUYKDSA-N 2 1 318.465 2.280 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001569920551 1065823341 /nfs/dbraw/zinc/82/33/41/1065823341.db2.gz TXERBROJKQRIDF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001569921680 1065826050 /nfs/dbraw/zinc/82/60/50/1065826050.db2.gz QIQQFKMZUSJNCU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001569921680 1065826059 /nfs/dbraw/zinc/82/60/59/1065826059.db2.gz QIQQFKMZUSJNCU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001569921680 1065826067 /nfs/dbraw/zinc/82/60/67/1065826067.db2.gz QIQQFKMZUSJNCU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001570013571 1065881227 /nfs/dbraw/zinc/88/12/27/1065881227.db2.gz NFNJJEUHABUVNE-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001497396292 1066071642 /nfs/dbraw/zinc/07/16/42/1066071642.db2.gz CMSPSKKBNXVDHR-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001570504203 1066098504 /nfs/dbraw/zinc/09/85/04/1066098504.db2.gz DARACVAMCQMHAZ-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001499771310 1067329719 /nfs/dbraw/zinc/32/97/19/1067329719.db2.gz RVCFHNRNXRIOTO-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001496129186 1078520318 /nfs/dbraw/zinc/52/03/18/1078520318.db2.gz PFGZJFOPAFBSDK-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001483438073 1078531230 /nfs/dbraw/zinc/53/12/30/1078531230.db2.gz JWFDNBMZUMCVDM-DLBZAZTESA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001267200920 1078661433 /nfs/dbraw/zinc/66/14/33/1078661433.db2.gz SUOCKOHJRQQNJK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001267200920 1078661447 /nfs/dbraw/zinc/66/14/47/1078661447.db2.gz SUOCKOHJRQQNJK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001267200920 1078661462 /nfs/dbraw/zinc/66/14/62/1078661462.db2.gz SUOCKOHJRQQNJK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001267200920 1078661484 /nfs/dbraw/zinc/66/14/84/1078661484.db2.gz SUOCKOHJRQQNJK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001571017373 1068174330 /nfs/dbraw/zinc/17/43/30/1068174330.db2.gz ZBKZLZQLPWPGPS-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001571390575 1068270706 /nfs/dbraw/zinc/27/07/06/1068270706.db2.gz JIUCKHSHGGODHR-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001571526334 1068394420 /nfs/dbraw/zinc/39/44/20/1068394420.db2.gz FGMQYDVOZJZFDR-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267273208 1078718995 /nfs/dbraw/zinc/71/89/95/1078718995.db2.gz CLMHTOMOFQPOLC-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001571564350 1068422847 /nfs/dbraw/zinc/42/28/47/1068422847.db2.gz BKNRQXUTWGRSHN-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571683580 1068478646 /nfs/dbraw/zinc/47/86/46/1068478646.db2.gz KDQRWCYGFSIRBW-DOTOQJQBSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571683580 1068478647 /nfs/dbraw/zinc/47/86/47/1068478647.db2.gz KDQRWCYGFSIRBW-DOTOQJQBSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571683580 1068478648 /nfs/dbraw/zinc/47/86/48/1068478648.db2.gz KDQRWCYGFSIRBW-DOTOQJQBSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267302959 1078749347 /nfs/dbraw/zinc/74/93/47/1078749347.db2.gz JCRBAVQFPINYKS-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001267325097 1078765952 /nfs/dbraw/zinc/76/59/52/1078765952.db2.gz CEVFDIMRKWTHSJ-MAUKXSAKSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267328194 1078767773 /nfs/dbraw/zinc/76/77/73/1078767773.db2.gz NEPLWDWWDSPTCB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267328194 1078767781 /nfs/dbraw/zinc/76/77/81/1078767781.db2.gz NEPLWDWWDSPTCB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001267328194 1078767788 /nfs/dbraw/zinc/76/77/88/1078767788.db2.gz NEPLWDWWDSPTCB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001267386513 1078819515 /nfs/dbraw/zinc/81/95/15/1078819515.db2.gz KLTZYBOXYDMQCV-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001267386513 1078819530 /nfs/dbraw/zinc/81/95/30/1078819530.db2.gz KLTZYBOXYDMQCV-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC001574902743 1069291779 /nfs/dbraw/zinc/29/17/79/1069291779.db2.gz FGFJRPUPHRKNNH-ROUUACIJSA-N 2 1 315.461 2.406 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267520546 1078951209 /nfs/dbraw/zinc/95/12/09/1078951209.db2.gz MFUFJRFXGCAXGO-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267550815 1078982789 /nfs/dbraw/zinc/98/27/89/1078982789.db2.gz ZWDCAKQTCSRJIT-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274720 1078989799 /nfs/dbraw/zinc/98/97/99/1078989799.db2.gz RFDUNTLSIZNTLK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483832222 1079142666 /nfs/dbraw/zinc/14/26/66/1079142666.db2.gz FHPUQTNQMCRMIJ-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483932845 1079193668 /nfs/dbraw/zinc/19/36/68/1079193668.db2.gz RTPIUCAVFFIJEF-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484163438 1079337718 /nfs/dbraw/zinc/33/77/18/1079337718.db2.gz JZZHEAVKZOULMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484163438 1079337725 /nfs/dbraw/zinc/33/77/25/1079337725.db2.gz JZZHEAVKZOULMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484163438 1079337731 /nfs/dbraw/zinc/33/77/31/1079337731.db2.gz JZZHEAVKZOULMA-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001566601056 1075293938 /nfs/dbraw/zinc/29/39/38/1075293938.db2.gz VIFSBCXYYOFHFJ-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267700945 1079388529 /nfs/dbraw/zinc/38/85/29/1079388529.db2.gz KQEIDQBHPWVEHM-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001566927421 1075389503 /nfs/dbraw/zinc/38/95/03/1075389503.db2.gz QJUSVXPRFIIANS-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001566966332 1075403059 /nfs/dbraw/zinc/40/30/59/1075403059.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966332 1075403062 /nfs/dbraw/zinc/40/30/62/1075403062.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566966332 1075403066 /nfs/dbraw/zinc/40/30/66/1075403066.db2.gz UFNQJXCYUDWBIB-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567240912 1075471070 /nfs/dbraw/zinc/47/10/70/1075471070.db2.gz RPPIMMHGWNAWLX-RDJZCZTQSA-N 2 1 303.450 2.350 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484568287 1079665426 /nfs/dbraw/zinc/66/54/26/1079665426.db2.gz HMOUEZPFQOZQFP-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001484574593 1079667221 /nfs/dbraw/zinc/66/72/21/1079667221.db2.gz GRBIGOHHIAHKPG-VPLLLXJESA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999448 1079681079 /nfs/dbraw/zinc/68/10/79/1079681079.db2.gz WAAJQZMTDAMRHL-GDBMZVCRSA-N 2 1 318.465 2.062 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001481358562 1079753761 /nfs/dbraw/zinc/75/37/61/1079753761.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C(C)C ZINC001481358562 1079753770 /nfs/dbraw/zinc/75/37/70/1079753770.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C(C)C ZINC001481358562 1079753778 /nfs/dbraw/zinc/75/37/78/1079753778.db2.gz VHQYSHGEMMEPHH-QGZVFWFLSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001484721486 1079757326 /nfs/dbraw/zinc/75/73/26/1079757326.db2.gz JDHZDKCMLYUWRG-CVEARBPZSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCC1 ZINC001268034242 1079856958 /nfs/dbraw/zinc/85/69/58/1079856958.db2.gz DOTHMRWBNRXSAY-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)C)CCCC1 ZINC001268034242 1079856961 /nfs/dbraw/zinc/85/69/61/1079856961.db2.gz DOTHMRWBNRXSAY-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001481487530 1079944797 /nfs/dbraw/zinc/94/47/97/1079944797.db2.gz DQQQLEUQGGGOJE-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001481487530 1079944806 /nfs/dbraw/zinc/94/48/06/1079944806.db2.gz DQQQLEUQGGGOJE-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001481487530 1079944813 /nfs/dbraw/zinc/94/48/13/1079944813.db2.gz DQQQLEUQGGGOJE-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481496025 1079953670 /nfs/dbraw/zinc/95/36/70/1079953670.db2.gz QWWMCMDVSDZXBF-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001485085787 1079965169 /nfs/dbraw/zinc/96/51/69/1079965169.db2.gz XEHUWTHJSQIBKO-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268084446 1080039488 /nfs/dbraw/zinc/03/94/88/1080039488.db2.gz FVNSMNBMIZZDFQ-PBHICJAKSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001268201396 1080188291 /nfs/dbraw/zinc/18/82/91/1080188291.db2.gz LPBQVAWHBIQLPI-QGZVFWFLSA-N 2 1 309.498 2.319 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001662219146 1080585797 /nfs/dbraw/zinc/58/57/97/1080585797.db2.gz CADUXNOVERIFPI-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662791502 1080656948 /nfs/dbraw/zinc/65/69/48/1080656948.db2.gz PTYWGYNYQKJAPC-JKSUJKDBSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001664467143 1080913580 /nfs/dbraw/zinc/91/35/80/1080913580.db2.gz FUCLLZWURDFWRG-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664597671 1080930711 /nfs/dbraw/zinc/93/07/11/1080930711.db2.gz BZCIAWKTJNCHQP-QZTJIDSGSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726156 1080949531 /nfs/dbraw/zinc/94/95/31/1080949531.db2.gz FQVIMLADAKZJGK-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664807008 1080963632 /nfs/dbraw/zinc/96/36/32/1080963632.db2.gz PKEKPOLHHFNCBO-SJLPKXTDSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742191 1080963898 /nfs/dbraw/zinc/96/38/98/1080963898.db2.gz FGVYIGZCGDHQTM-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268742191 1080963903 /nfs/dbraw/zinc/96/39/03/1080963903.db2.gz FGVYIGZCGDHQTM-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001664825153 1080967586 /nfs/dbraw/zinc/96/75/86/1080967586.db2.gz VXAKNVGDCLHAAD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001664825153 1080967593 /nfs/dbraw/zinc/96/75/93/1080967593.db2.gz VXAKNVGDCLHAAD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001664825153 1080967598 /nfs/dbraw/zinc/96/75/98/1080967598.db2.gz VXAKNVGDCLHAAD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001665871363 1081091709 /nfs/dbraw/zinc/09/17/09/1081091709.db2.gz HHCDZCKMTZUHSN-ROUUACIJSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001666219101 1081134081 /nfs/dbraw/zinc/13/40/81/1081134081.db2.gz MEPZCDNPVKSTRV-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001666256062 1081137174 /nfs/dbraw/zinc/13/71/74/1081137174.db2.gz AJCHQDMGUACZNT-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001667472490 1081255228 /nfs/dbraw/zinc/25/52/28/1081255228.db2.gz ARJBLZSBEWPUGN-DLBZAZTESA-N 2 1 309.498 2.413 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001269552853 1081286639 /nfs/dbraw/zinc/28/66/39/1081286639.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001269552853 1081286641 /nfs/dbraw/zinc/28/66/41/1081286641.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001269552853 1081286643 /nfs/dbraw/zinc/28/66/43/1081286643.db2.gz JLCLGWJGXMQVLX-KRWDZBQOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558109 1081290737 /nfs/dbraw/zinc/29/07/37/1081290737.db2.gz WOUPMFNMWKWWHD-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001284553238 1081294484 /nfs/dbraw/zinc/29/44/84/1081294484.db2.gz GFHYQMPUACBCCN-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001284600053 1081340047 /nfs/dbraw/zinc/34/00/47/1081340047.db2.gz YJFYSJRBERPMSK-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001269737806 1081351024 /nfs/dbraw/zinc/35/10/24/1081351024.db2.gz UUCVJZWBMIOJFW-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001668652975 1081376997 /nfs/dbraw/zinc/37/69/97/1081376997.db2.gz YFAMIXDIEXGVDS-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001668883877 1081406820 /nfs/dbraw/zinc/40/68/20/1081406820.db2.gz VARPHMZPJHRGNS-NGHLMZTLSA-N 2 1 305.466 2.232 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001270237048 1081480801 /nfs/dbraw/zinc/48/08/01/1081480801.db2.gz IDDRIHRKDBMGAT-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000951379701 1081510242 /nfs/dbraw/zinc/51/02/42/1081510242.db2.gz CFQMBJRNYVGINS-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001671842849 1081542717 /nfs/dbraw/zinc/54/27/17/1081542717.db2.gz PNXHOBJHCIAZCR-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001672568093 1081612649 /nfs/dbraw/zinc/61/26/49/1081612649.db2.gz WGWJQTOJJHFQMH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CCNC(NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)=[NH+]CC ZINC000718001544 1081862934 /nfs/dbraw/zinc/86/29/34/1081862934.db2.gz QNGOBENOLQRSLV-KRWDZBQOSA-N 2 1 302.466 2.472 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001674499219 1081884052 /nfs/dbraw/zinc/88/40/52/1081884052.db2.gz FOICPXIKRUGCHC-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001674542591 1081888330 /nfs/dbraw/zinc/88/83/30/1081888330.db2.gz XKKXKKYXFVUCNU-JCYILVPMSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001482462753 1081925043 /nfs/dbraw/zinc/92/50/43/1081925043.db2.gz OTLKJAPNSJKIJM-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001271318863 1082011535 /nfs/dbraw/zinc/01/15/35/1082011535.db2.gz XXDFCNAQNOWQDW-DLBZAZTESA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[NH+]1CCC(N(CCC)C(=O)CC[N@@H+](C)CCC)CC1 ZINC001266393410 1082015904 /nfs/dbraw/zinc/01/59/04/1082015904.db2.gz VYXODASNQIZGOA-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C\CC ZINC001266468384 1082056220 /nfs/dbraw/zinc/05/62/20/1082056220.db2.gz PDTSCSMJSZLBBO-WIJVFFIESA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024567 1082291703 /nfs/dbraw/zinc/29/17/03/1082291703.db2.gz QBFOZODDWXTGHR-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024567 1082291708 /nfs/dbraw/zinc/29/17/08/1082291708.db2.gz QBFOZODDWXTGHR-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001266947681 1082469528 /nfs/dbraw/zinc/46/95/28/1082469528.db2.gz ASHRXMNSPLNADW-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001266947681 1082469532 /nfs/dbraw/zinc/46/95/32/1082469532.db2.gz ASHRXMNSPLNADW-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C(C)(C)C1 ZINC001276593035 1083504085 /nfs/dbraw/zinc/50/40/85/1083504085.db2.gz DVDPWMZMLLLNOW-INIZCTEOSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001276593035 1083504094 /nfs/dbraw/zinc/50/40/94/1083504094.db2.gz DVDPWMZMLLLNOW-INIZCTEOSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001276593035 1083504101 /nfs/dbraw/zinc/50/41/01/1083504101.db2.gz DVDPWMZMLLLNOW-INIZCTEOSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001276593035 1083504113 /nfs/dbraw/zinc/50/41/13/1083504113.db2.gz DVDPWMZMLLLNOW-INIZCTEOSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001276886415 1083666236 /nfs/dbraw/zinc/66/62/36/1083666236.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001276886415 1083666242 /nfs/dbraw/zinc/66/62/42/1083666242.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001276886415 1083666252 /nfs/dbraw/zinc/66/62/52/1083666252.db2.gz IMMMRCRTWNNYFC-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001277383006 1083935174 /nfs/dbraw/zinc/93/51/74/1083935174.db2.gz WBXVYOHUQXZMDM-UHFFFAOYSA-N 2 1 319.493 2.409 20 30 DEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CC(F)F)CC3)cc1C#N ZINC001277645859 1084073533 /nfs/dbraw/zinc/07/35/33/1084073533.db2.gz XLURKCNQNSPTQN-UHFFFAOYSA-N 2 1 308.376 2.060 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001491287947 1084212738 /nfs/dbraw/zinc/21/27/38/1084212738.db2.gz QGQIRGJHGJFHCU-HUUCEWRRSA-N 2 1 304.438 2.135 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001491296699 1084216871 /nfs/dbraw/zinc/21/68/71/1084216871.db2.gz OOGQGMHTYUWCHR-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296699 1084216878 /nfs/dbraw/zinc/21/68/78/1084216878.db2.gz OOGQGMHTYUWCHR-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001491296699 1084216886 /nfs/dbraw/zinc/21/68/86/1084216886.db2.gz OOGQGMHTYUWCHR-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870638 1084400443 /nfs/dbraw/zinc/40/04/43/1084400443.db2.gz RRSKVIRQIBQOPM-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001272870638 1084400446 /nfs/dbraw/zinc/40/04/46/1084400446.db2.gz RRSKVIRQIBQOPM-SFHVURJKSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235391837 1084416671 /nfs/dbraw/zinc/41/66/71/1084416671.db2.gz GGXJXEPBLIEDFO-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235391837 1084416672 /nfs/dbraw/zinc/41/66/72/1084416672.db2.gz GGXJXEPBLIEDFO-RDJZCZTQSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235511803 1084451866 /nfs/dbraw/zinc/45/18/66/1084451866.db2.gz HABIOQMGSMSZOJ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235511803 1084451874 /nfs/dbraw/zinc/45/18/74/1084451874.db2.gz HABIOQMGSMSZOJ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235511803 1084451879 /nfs/dbraw/zinc/45/18/79/1084451879.db2.gz HABIOQMGSMSZOJ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631528 1084481087 /nfs/dbraw/zinc/48/10/87/1084481087.db2.gz AGROFNTXAXWEKS-SJORKVTESA-N 2 1 316.449 2.026 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739034 1084853378 /nfs/dbraw/zinc/85/33/78/1084853378.db2.gz KQSWQMGFPNQTBB-LSDHHAIUSA-N 2 1 316.449 2.210 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001485887240 1084963580 /nfs/dbraw/zinc/96/35/80/1084963580.db2.gz VGKAWNVVQBALBX-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001485887240 1084963587 /nfs/dbraw/zinc/96/35/87/1084963587.db2.gz VGKAWNVVQBALBX-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001493211122 1085894699 /nfs/dbraw/zinc/89/46/99/1085894699.db2.gz GMENGSQKIJJASL-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493211122 1085894715 /nfs/dbraw/zinc/89/47/15/1085894715.db2.gz GMENGSQKIJJASL-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493211122 1085894732 /nfs/dbraw/zinc/89/47/32/1085894732.db2.gz GMENGSQKIJJASL-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101168 1086175928 /nfs/dbraw/zinc/17/59/28/1086175928.db2.gz OIHYJGRPJRAOJV-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001273105581 1086200301 /nfs/dbraw/zinc/20/03/01/1086200301.db2.gz DEZOPFYEEMTEMF-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315805 1086405416 /nfs/dbraw/zinc/40/54/16/1086405416.db2.gz YZGDYAKXSRPJNM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315805 1086405419 /nfs/dbraw/zinc/40/54/19/1086405419.db2.gz YZGDYAKXSRPJNM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315805 1086405422 /nfs/dbraw/zinc/40/54/22/1086405422.db2.gz YZGDYAKXSRPJNM-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001273146436 1086998649 /nfs/dbraw/zinc/99/86/49/1086998649.db2.gz MBEUKOJTVZGJCE-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568280 1088417817 /nfs/dbraw/zinc/41/78/17/1088417817.db2.gz GSWKMTFQXMREGU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957606040 1088453274 /nfs/dbraw/zinc/45/32/74/1088453274.db2.gz WWFOGRABQJFSJZ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080754543 1089173024 /nfs/dbraw/zinc/17/30/24/1089173024.db2.gz PBPCDOFGLVAPLD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080754543 1089173037 /nfs/dbraw/zinc/17/30/37/1089173037.db2.gz PBPCDOFGLVAPLD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080754543 1089173055 /nfs/dbraw/zinc/17/30/55/1089173055.db2.gz PBPCDOFGLVAPLD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795460 1089195958 /nfs/dbraw/zinc/19/59/58/1089195958.db2.gz REUXVQUCAGCLBO-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795460 1089195963 /nfs/dbraw/zinc/19/59/63/1089195963.db2.gz REUXVQUCAGCLBO-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701502 1090402333 /nfs/dbraw/zinc/40/23/33/1090402333.db2.gz GXRXJHOTTVJKBP-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701502 1090402337 /nfs/dbraw/zinc/40/23/37/1090402337.db2.gz GXRXJHOTTVJKBP-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701502 1090402340 /nfs/dbraw/zinc/40/23/40/1090402340.db2.gz GXRXJHOTTVJKBP-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075320 1090630403 /nfs/dbraw/zinc/63/04/03/1090630403.db2.gz ZXZGVNSHVJAYIQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075320 1090630408 /nfs/dbraw/zinc/63/04/08/1090630408.db2.gz ZXZGVNSHVJAYIQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075320 1090630411 /nfs/dbraw/zinc/63/04/11/1090630411.db2.gz ZXZGVNSHVJAYIQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274228071 1091132181 /nfs/dbraw/zinc/13/21/81/1091132181.db2.gz FGLIGMZCDKNOLL-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183582 1091604777 /nfs/dbraw/zinc/60/47/77/1091604777.db2.gz GTSJKYCLQDRNPU-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001671075731 1091731449 /nfs/dbraw/zinc/73/14/49/1091731449.db2.gz WXCQDALDPJKFAQ-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001276261443 1091752644 /nfs/dbraw/zinc/75/26/44/1091752644.db2.gz GYKJZEQQYURNNF-YESZJQIVSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898476 /nfs/dbraw/zinc/89/84/76/1091898476.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898481 /nfs/dbraw/zinc/89/84/81/1091898481.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948716801 1091898489 /nfs/dbraw/zinc/89/84/89/1091898489.db2.gz FRJGSVNYHUOFGX-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948769764 1091925893 /nfs/dbraw/zinc/92/58/93/1091925893.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948769764 1091925899 /nfs/dbraw/zinc/92/58/99/1091925899.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948769764 1091925909 /nfs/dbraw/zinc/92/59/09/1091925909.db2.gz DMZWHDCADJQHGJ-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001275888151 1092273789 /nfs/dbraw/zinc/27/37/89/1092273789.db2.gz VBNFMMWWMREQEU-MRXNPFEDSA-N 2 1 317.477 2.417 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688168 1092688613 /nfs/dbraw/zinc/68/86/13/1092688613.db2.gz GTOUSULMRMGVEG-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001488688168 1092688617 /nfs/dbraw/zinc/68/86/17/1092688617.db2.gz GTOUSULMRMGVEG-ZBFHGGJFSA-N 2 1 304.438 2.079 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1)C(C)C ZINC001691736310 1138252761 /nfs/dbraw/zinc/25/27/61/1138252761.db2.gz PIXWTMCZKJBQQG-UHFFFAOYSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CC[NH+](CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001691736310 1138252764 /nfs/dbraw/zinc/25/27/64/1138252764.db2.gz PIXWTMCZKJBQQG-UHFFFAOYSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CC[NH+](CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C(C)C ZINC001691736310 1138252768 /nfs/dbraw/zinc/25/27/68/1138252768.db2.gz PIXWTMCZKJBQQG-UHFFFAOYSA-N 2 1 321.509 2.489 20 30 DEEDMP CCCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277997150 1138393427 /nfs/dbraw/zinc/39/34/27/1138393427.db2.gz ISCBXUJPSKMHRJ-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278250157 1138857518 /nfs/dbraw/zinc/85/75/18/1138857518.db2.gz IPOFDFXDYKCVAT-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001318782881 1140415324 /nfs/dbraw/zinc/41/53/24/1140415324.db2.gz ZHNXSWIJHZSIKA-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001319378884 1140559990 /nfs/dbraw/zinc/55/99/90/1140559990.db2.gz IHYHODDIXCYPGT-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C[C@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001246198226 1140872216 /nfs/dbraw/zinc/87/22/16/1140872216.db2.gz DTOZTAMZUFNMKL-PFUJJPPESA-N 2 1 306.450 2.252 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(F)(F)CC1 ZINC001246305071 1140882982 /nfs/dbraw/zinc/88/29/82/1140882982.db2.gz GPHQBPIOSFVGPT-ZDUSSCGKSA-N 2 1 304.381 2.381 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001278461217 1141031320 /nfs/dbraw/zinc/03/13/20/1141031320.db2.gz VJTPDGCGUXHCIR-BQFCYCMXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)CC2 ZINC001246730680 1141045480 /nfs/dbraw/zinc/04/54/80/1141045480.db2.gz AEHLSSKYPSUMFG-BQFCYCMXSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246732806 1141046130 /nfs/dbraw/zinc/04/61/30/1141046130.db2.gz IBHJCGCOGDGJTP-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246732806 1141046141 /nfs/dbraw/zinc/04/61/41/1141046141.db2.gz IBHJCGCOGDGJTP-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246766057 1141053280 /nfs/dbraw/zinc/05/32/80/1141053280.db2.gz JNKQGSIZUHOOBI-BSLJZLGVSA-N 2 1 320.477 2.343 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC001246766057 1141053288 /nfs/dbraw/zinc/05/32/88/1141053288.db2.gz JNKQGSIZUHOOBI-BSLJZLGVSA-N 2 1 320.477 2.343 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001278496205 1141650685 /nfs/dbraw/zinc/65/06/85/1141650685.db2.gz YNFIHHUURUMKGU-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001322725657 1141700682 /nfs/dbraw/zinc/70/06/82/1141700682.db2.gz ZDENNHAORPBZTR-UHFFFAOYSA-N 2 1 312.845 2.197 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001323637670 1141872793 /nfs/dbraw/zinc/87/27/93/1141872793.db2.gz MGQPDAUNRWXKLY-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640251 1141873154 /nfs/dbraw/zinc/87/31/54/1141873154.db2.gz CQITWIQAXYCBBR-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001323858750 1141893482 /nfs/dbraw/zinc/89/34/82/1141893482.db2.gz QZVSNHUZVUXFGZ-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323858750 1141893483 /nfs/dbraw/zinc/89/34/83/1141893483.db2.gz QZVSNHUZVUXFGZ-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001323858750 1141893484 /nfs/dbraw/zinc/89/34/84/1141893484.db2.gz QZVSNHUZVUXFGZ-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001324162443 1142020335 /nfs/dbraw/zinc/02/03/35/1142020335.db2.gz KOKDOUXLZGLLLP-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324470898 1142083368 /nfs/dbraw/zinc/08/33/68/1142083368.db2.gz TXWAOXADEZVQBL-QZTJIDSGSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001278627295 1142375538 /nfs/dbraw/zinc/37/55/38/1142375538.db2.gz OGEJPJVLMLPNDH-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001278639864 1142567153 /nfs/dbraw/zinc/56/71/53/1142567153.db2.gz MYTYNQWBVQXOLB-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667876 1142725545 /nfs/dbraw/zinc/72/55/45/1142725545.db2.gz JRWUGROFCBADTP-GOSISDBHSA-N 2 1 319.493 2.409 20 30 DEEDMP C#CC[N@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)CC1CC1 ZINC001341604863 1143638387 /nfs/dbraw/zinc/63/83/87/1143638387.db2.gz NMUMFGHOGBLQOA-UHFFFAOYSA-N 2 1 315.436 2.423 20 30 DEEDMP C#CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001341604863 1143638402 /nfs/dbraw/zinc/63/84/02/1143638402.db2.gz NMUMFGHOGBLQOA-UHFFFAOYSA-N 2 1 315.436 2.423 20 30 DEEDMP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001341604863 1143638412 /nfs/dbraw/zinc/63/84/12/1143638412.db2.gz NMUMFGHOGBLQOA-UHFFFAOYSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001263936659 1144426698 /nfs/dbraw/zinc/42/66/98/1144426698.db2.gz JAVBSJPEQNFEFM-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001265085203 1144639889 /nfs/dbraw/zinc/63/98/89/1144639889.db2.gz BQVFRRSQJQSHSM-HZPDHXFCSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265394997 1144701794 /nfs/dbraw/zinc/70/17/94/1144701794.db2.gz MWBCSRXENUWOKA-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265395223 1144701872 /nfs/dbraw/zinc/70/18/72/1144701872.db2.gz RIJCMWOYDDYNCY-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523913 1144708785 /nfs/dbraw/zinc/70/87/85/1144708785.db2.gz QVRUGVJZAYKHGJ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265635228 1144719946 /nfs/dbraw/zinc/71/99/46/1144719946.db2.gz SFJSLQBYDCFECC-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265697169 1144729982 /nfs/dbraw/zinc/72/99/82/1144729982.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697169 1144729983 /nfs/dbraw/zinc/72/99/83/1144729983.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001265697169 1144729984 /nfs/dbraw/zinc/72/99/84/1144729984.db2.gz PCXOSJLRGMCJGI-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265982596 1144776527 /nfs/dbraw/zinc/77/65/27/1144776527.db2.gz IAHXRMHAILNFNI-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)CCC)C2 ZINC001279236734 1144819671 /nfs/dbraw/zinc/81/96/71/1144819671.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001279236734 1144819672 /nfs/dbraw/zinc/81/96/72/1144819672.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001279236734 1144819673 /nfs/dbraw/zinc/81/96/73/1144819673.db2.gz LUTFYQWUSCPCEX-BJWYYQGGSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCCCCC ZINC001279589767 1144825157 /nfs/dbraw/zinc/82/51/57/1144825157.db2.gz ZMLOBEWOKXXUMK-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589767 1144825158 /nfs/dbraw/zinc/82/51/58/1144825158.db2.gz ZMLOBEWOKXXUMK-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCCCCC ZINC001279589767 1144825159 /nfs/dbraw/zinc/82/51/59/1144825159.db2.gz ZMLOBEWOKXXUMK-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001280761696 1144853900 /nfs/dbraw/zinc/85/39/00/1144853900.db2.gz ZNQUQILJJVCSDU-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001283442596 1145424385 /nfs/dbraw/zinc/42/43/85/1145424385.db2.gz XNWZWUIARJCJIT-SJORKVTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001283913596 1145706852 /nfs/dbraw/zinc/70/68/52/1145706852.db2.gz OORXGGIMSRVADU-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001284058070 1145778528 /nfs/dbraw/zinc/77/85/28/1145778528.db2.gz PDJQKCGFMZIZMA-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284058070 1145778534 /nfs/dbraw/zinc/77/85/34/1145778534.db2.gz PDJQKCGFMZIZMA-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284058070 1145778542 /nfs/dbraw/zinc/77/85/42/1145778542.db2.gz PDJQKCGFMZIZMA-XYJFISCASA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001284057612 1145779081 /nfs/dbraw/zinc/77/90/81/1145779081.db2.gz NHBZKSZNLOTZIQ-SJLPKXTDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284057612 1145779088 /nfs/dbraw/zinc/77/90/88/1145779088.db2.gz NHBZKSZNLOTZIQ-SJLPKXTDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001284057612 1145779094 /nfs/dbraw/zinc/77/90/94/1145779094.db2.gz NHBZKSZNLOTZIQ-SJLPKXTDSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001284104935 1145799991 /nfs/dbraw/zinc/79/99/91/1145799991.db2.gz ZXIRSEKEZLFZOL-GVDBMIGSSA-N 2 1 307.482 2.121 20 30 DEEDMP N#Cc1ccnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC001365285522 1145837747 /nfs/dbraw/zinc/83/77/47/1145837747.db2.gz GRQRYCWAOKSWBX-UHFFFAOYSA-N 2 1 314.433 2.030 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284604535 1145877951 /nfs/dbraw/zinc/87/79/51/1145877951.db2.gz QNRJHMYKMRTOGP-HOTGVXAUSA-N 2 1 309.498 2.413 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316804442 1147603108 /nfs/dbraw/zinc/60/31/08/1147603108.db2.gz LDLVKHJLKVFDIT-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001316804442 1147603111 /nfs/dbraw/zinc/60/31/11/1147603111.db2.gz LDLVKHJLKVFDIT-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001316925506 1147632906 /nfs/dbraw/zinc/63/29/06/1147632906.db2.gz RPJGIEBGAIIOSP-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317037293 1147651272 /nfs/dbraw/zinc/65/12/72/1147651272.db2.gz PTDREBMXYZXXIX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317037293 1147651274 /nfs/dbraw/zinc/65/12/74/1147651274.db2.gz PTDREBMXYZXXIX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317037293 1147651276 /nfs/dbraw/zinc/65/12/76/1147651276.db2.gz PTDREBMXYZXXIX-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCCC)C1 ZINC001317045188 1147652291 /nfs/dbraw/zinc/65/22/91/1147652291.db2.gz ONJJTUFIDWEXRP-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCCC)C1 ZINC001317045188 1147652293 /nfs/dbraw/zinc/65/22/93/1147652293.db2.gz ONJJTUFIDWEXRP-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCC)C1 ZINC001317045188 1147652295 /nfs/dbraw/zinc/65/22/95/1147652295.db2.gz ONJJTUFIDWEXRP-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCCC)C1 ZINC001317045188 1147652297 /nfs/dbraw/zinc/65/22/97/1147652297.db2.gz ONJJTUFIDWEXRP-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317124351 1147662598 /nfs/dbraw/zinc/66/25/98/1147662598.db2.gz IZXFMVGVDVABGL-IXDOHACOSA-N 2 1 301.434 2.102 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317149494 1147666948 /nfs/dbraw/zinc/66/69/48/1147666948.db2.gz IYOUIPVOUKUZJU-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317172381 1147670403 /nfs/dbraw/zinc/67/04/03/1147670403.db2.gz IUSBPAYOYGZEAS-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317342102 1147693425 /nfs/dbraw/zinc/69/34/25/1147693425.db2.gz FNXDNSGRYVBVDC-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317373927 1147698012 /nfs/dbraw/zinc/69/80/12/1147698012.db2.gz AQLSNBQMZXAAJY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317373927 1147698015 /nfs/dbraw/zinc/69/80/15/1147698015.db2.gz AQLSNBQMZXAAJY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317373927 1147698017 /nfs/dbraw/zinc/69/80/17/1147698017.db2.gz AQLSNBQMZXAAJY-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721016 1147747183 /nfs/dbraw/zinc/74/71/83/1147747183.db2.gz QTGDFYUUHUWOQC-ROUUACIJSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001325771948 1147997674 /nfs/dbraw/zinc/99/76/74/1147997674.db2.gz GJYYKXHAGQXCGQ-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001325771948 1147997678 /nfs/dbraw/zinc/99/76/78/1147997678.db2.gz GJYYKXHAGQXCGQ-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001325771948 1147997681 /nfs/dbraw/zinc/99/76/81/1147997681.db2.gz GJYYKXHAGQXCGQ-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC001325880729 1148013013 /nfs/dbraw/zinc/01/30/13/1148013013.db2.gz SYXWKFTUTVPWBJ-AWEZNQCLSA-N 2 1 312.417 2.127 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001326526101 1148131280 /nfs/dbraw/zinc/13/12/80/1148131280.db2.gz ZXIMROKUOBUACX-XSLAGTTESA-N 2 1 319.493 2.454 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592997360 357983004 /nfs/dbraw/zinc/98/30/04/357983004.db2.gz MCDUPNYKNXSYIS-LJQANCHMSA-N 2 1 312.461 2.160 20 30 DEEDMP C=CCC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000668551239 540686020 /nfs/dbraw/zinc/68/60/20/540686020.db2.gz IHCBZMYBPCWJCK-KRWDZBQOSA-N 2 1 308.466 2.345 20 30 DEEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000619508226 363813998 /nfs/dbraw/zinc/81/39/98/363813998.db2.gz VRTINICRXSUSDE-MJGOQNOKSA-N 2 1 313.445 2.372 20 30 DEEDMP C[NH+](C)C(C)(C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271833424 209252857 /nfs/dbraw/zinc/25/28/57/209252857.db2.gz FLANTHNFVUWPFN-UHFFFAOYSA-N 2 1 314.477 2.452 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623579212 365087901 /nfs/dbraw/zinc/08/79/01/365087901.db2.gz RPJYRCCJTXZNRX-MRXNPFEDSA-N 2 1 322.497 2.058 20 30 DEEDMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1F ZINC000119856743 195049510 /nfs/dbraw/zinc/04/95/10/195049510.db2.gz CSRGZZXOVIHUNT-UHFFFAOYSA-N 2 1 317.408 2.242 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289507050 285250836 /nfs/dbraw/zinc/25/08/36/285250836.db2.gz UGBABXRPWIDXST-OAHLLOKOSA-N 2 1 320.506 2.468 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1CCCC2(CCC[N@@H+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593216 542741954 /nfs/dbraw/zinc/74/19/54/542741954.db2.gz QMZKSPGACMPWSA-PWCSWUJKSA-N 2 1 322.493 2.038 20 30 DEEDMP C=C(C)[C@@H](CO)[NH+]1CCCC2(CCC[N@H+]([C@H](CO)C(=C)C)C2)C1 ZINC000685593216 542741959 /nfs/dbraw/zinc/74/19/59/542741959.db2.gz QMZKSPGACMPWSA-PWCSWUJKSA-N 2 1 322.493 2.038 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000376557615 133300653 /nfs/dbraw/zinc/30/06/53/133300653.db2.gz KJJKRJAPHURTIN-QZTJIDSGSA-N 2 1 309.369 2.140 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000371331563 148089044 /nfs/dbraw/zinc/08/90/44/148089044.db2.gz IYKNASJFAKVXMV-OAHLLOKOSA-N 2 1 318.490 2.220 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000371331563 148089048 /nfs/dbraw/zinc/08/90/48/148089048.db2.gz IYKNASJFAKVXMV-OAHLLOKOSA-N 2 1 318.490 2.220 20 30 DEEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000176864335 402344322 /nfs/dbraw/zinc/34/43/22/402344322.db2.gz RPMGQIONBVICRB-CQSZACIVSA-N 2 1 319.424 2.222 20 30 DEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719608 /nfs/dbraw/zinc/71/96/08/402719608.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719609 /nfs/dbraw/zinc/71/96/09/402719609.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000173922697 402719611 /nfs/dbraw/zinc/71/96/11/402719611.db2.gz PLJYPSFRHACORN-INIZCTEOSA-N 2 1 314.433 2.160 20 30 DEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCCC1 ZINC000273324776 402994545 /nfs/dbraw/zinc/99/45/45/402994545.db2.gz HGNQPCUKDPACMG-MRXNPFEDSA-N 2 1 316.449 2.241 20 30 DEEDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000282421530 403152315 /nfs/dbraw/zinc/15/23/15/403152315.db2.gz SQJZPGJMAZOUEW-OAHLLOKOSA-N 2 1 300.450 2.235 20 30 DEEDMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286126446 403454968 /nfs/dbraw/zinc/45/49/68/403454968.db2.gz OHGCTEXVNIGMFF-UHFFFAOYSA-N 2 1 309.417 2.322 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000358794907 404775880 /nfs/dbraw/zinc/77/58/80/404775880.db2.gz IZTYEHGQGOBCMA-JKSUJKDBSA-N 2 1 322.497 2.056 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358798293 404775938 /nfs/dbraw/zinc/77/59/38/404775938.db2.gz ZTKGTUUCCSFHFD-MRXNPFEDSA-N 2 1 322.497 2.201 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000518169336 406130086 /nfs/dbraw/zinc/13/00/86/406130086.db2.gz RXNZUDFLDFYEPS-QGZVFWFLSA-N 2 1 322.424 2.196 20 30 DEEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262557900 225277267 /nfs/dbraw/zinc/27/72/67/225277267.db2.gz VLDWCEYJDHYOSD-HOCLYGCPSA-N 2 1 316.449 2.146 20 30 DEEDMP C=CC[C@]1(C(=O)NCCC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662680850 425710699 /nfs/dbraw/zinc/71/06/99/425710699.db2.gz MFOXLTUHICKJGP-GOSISDBHSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CCC[NH2+]1 ZINC000662691953 425714861 /nfs/dbraw/zinc/71/48/61/425714861.db2.gz BIPFNVBTCCSYBY-IBGZPJMESA-N 2 1 315.461 2.453 20 30 DEEDMP C#Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377621126 275387205 /nfs/dbraw/zinc/38/72/05/275387205.db2.gz AWLGKHTVHPJKMR-FQEVSTJZSA-N 2 1 311.473 2.268 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088951914 782072213 /nfs/dbraw/zinc/07/22/13/782072213.db2.gz OAVQGESKJCCXNY-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000583360689 332352957 /nfs/dbraw/zinc/35/29/57/332352957.db2.gz DKMMMIKSVONKTM-MNEFBYGVSA-N 2 1 313.445 2.425 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531719640 333550706 /nfs/dbraw/zinc/55/07/06/333550706.db2.gz VMSAMNPJFIBWKG-UHFFFAOYSA-N 2 1 315.465 2.076 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000177872791 337160942 /nfs/dbraw/zinc/16/09/42/337160942.db2.gz YBMYOPIPJPBRQN-INIZCTEOSA-N 2 1 322.497 2.010 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001329955175 1149023692 /nfs/dbraw/zinc/02/36/92/1149023692.db2.gz ZGKCHODTACIKPP-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330245867 1149080093 /nfs/dbraw/zinc/08/00/93/1149080093.db2.gz YKIGQRIKKSGJCA-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368670683 1148565837 /nfs/dbraw/zinc/56/58/37/1148565837.db2.gz VBPVKWLFZXKXHV-KGLIPLIRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368670683 1148565847 /nfs/dbraw/zinc/56/58/47/1148565847.db2.gz VBPVKWLFZXKXHV-KGLIPLIRSA-N 2 1 315.889 2.296 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N(C)Cc1cccn1C ZINC000262000706 526375125 /nfs/dbraw/zinc/37/51/25/526375125.db2.gz UIPUEFVASMKJPG-CVEARBPZSA-N 2 1 319.497 2.295 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947047 526393838 /nfs/dbraw/zinc/39/38/38/526393838.db2.gz GFNROBDVXVZFHH-OCCSQVGLSA-N 2 1 306.479 2.204 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262451221 526395056 /nfs/dbraw/zinc/39/50/56/526395056.db2.gz VZMSFWZOHIEHST-HYVNUMGLSA-N 2 1 304.482 2.357 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262451221 526395060 /nfs/dbraw/zinc/39/50/60/526395060.db2.gz VZMSFWZOHIEHST-HYVNUMGLSA-N 2 1 304.482 2.357 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349078971 535595489 /nfs/dbraw/zinc/59/54/89/535595489.db2.gz ROGFGIJDAYQAKB-INIZCTEOSA-N 2 1 320.506 2.468 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001379588299 1152647259 /nfs/dbraw/zinc/64/72/59/1152647259.db2.gz SNVMXZKGZFTEJD-ZFWWWQNUSA-N 2 1 324.856 2.303 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489414 625293473 /nfs/dbraw/zinc/29/34/73/625293473.db2.gz BPAAWLXHZHQKEF-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001026369160 625367356 /nfs/dbraw/zinc/36/73/56/625367356.db2.gz ULSOZMRFUMYCHM-HRCADAONSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]12 ZINC001026400466 625414608 /nfs/dbraw/zinc/41/46/08/625414608.db2.gz KCEWMTPKGQBXSE-RBSFLKMASA-N 2 1 316.449 2.090 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525724 625501648 /nfs/dbraw/zinc/50/16/48/625501648.db2.gz RLOZHOMZTPLFCS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648415 622864151 /nfs/dbraw/zinc/86/41/51/622864151.db2.gz JNEGXPMHUMRZTF-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833089 622942202 /nfs/dbraw/zinc/94/22/02/622942202.db2.gz LPNGSHFCIHHWDU-CRAIPNDOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970025906 623066501 /nfs/dbraw/zinc/06/65/01/623066501.db2.gz ALNHCBUOAMLDTR-WBVHZDCISA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719259 623639997 /nfs/dbraw/zinc/63/99/97/623639997.db2.gz PGTXXMUDXQKVBJ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479227 625804915 /nfs/dbraw/zinc/80/49/15/625804915.db2.gz CPQCXLKZMQZMAQ-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479227 625804918 /nfs/dbraw/zinc/80/49/18/625804918.db2.gz CPQCXLKZMQZMAQ-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001024513903 625830596 /nfs/dbraw/zinc/83/05/96/625830596.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001024513903 625830598 /nfs/dbraw/zinc/83/05/98/625830598.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001024513903 625830600 /nfs/dbraw/zinc/83/06/00/625830600.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513903 625830604 /nfs/dbraw/zinc/83/06/04/625830604.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001024513903 625830607 /nfs/dbraw/zinc/83/06/07/625830607.db2.gz ULMXRHZWULUEIO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613955 625931190 /nfs/dbraw/zinc/93/11/90/625931190.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613955 625931193 /nfs/dbraw/zinc/93/11/93/625931193.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613955 625931199 /nfs/dbraw/zinc/93/11/99/625931199.db2.gz DVBXVRFCADQDSP-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001024647144 625948876 /nfs/dbraw/zinc/94/88/76/625948876.db2.gz JQMJFYLZHOVQTB-CABCVRRESA-N 2 1 316.449 2.376 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000150518 634770455 /nfs/dbraw/zinc/77/04/55/634770455.db2.gz RFHVJJJKVSPSCQ-QGZVFWFLSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(CC)CC)CC1 ZINC001003056906 635896439 /nfs/dbraw/zinc/89/64/39/635896439.db2.gz VVRQPZCXQBKWHU-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(CC)CC)CC1 ZINC001003056906 635896446 /nfs/dbraw/zinc/89/64/46/635896446.db2.gz VVRQPZCXQBKWHU-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)cc1 ZINC000925845830 635929223 /nfs/dbraw/zinc/92/92/23/635929223.db2.gz RMFWVZGCKLLYAX-INIZCTEOSA-N 2 1 300.450 2.284 20 30 DEEDMP C[C@H]1CC(=NN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000734296392 633352810 /nfs/dbraw/zinc/35/28/10/633352810.db2.gz QRVJQOXPRIPVTM-INIZCTEOSA-N 2 1 300.450 2.274 20 30 DEEDMP C[C@H]1CC(=NN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000734296392 633352812 /nfs/dbraw/zinc/35/28/12/633352812.db2.gz QRVJQOXPRIPVTM-INIZCTEOSA-N 2 1 300.450 2.274 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045651 633396743 /nfs/dbraw/zinc/39/67/43/633396743.db2.gz BNQGYHFZURQXMY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000975045651 633396748 /nfs/dbraw/zinc/39/67/48/633396748.db2.gz BNQGYHFZURQXMY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975097297 633425535 /nfs/dbraw/zinc/42/55/35/633425535.db2.gz ADMVLZDWZWKOKN-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975097297 633425537 /nfs/dbraw/zinc/42/55/37/633425537.db2.gz ADMVLZDWZWKOKN-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000997053148 633565371 /nfs/dbraw/zinc/56/53/71/633565371.db2.gz LIQBCBDPCMSCCM-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997119458 633601392 /nfs/dbraw/zinc/60/13/92/633601392.db2.gz JVICNZDOFFRHHE-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027408963 633748210 /nfs/dbraw/zinc/74/82/10/633748210.db2.gz APZNHJZEIDPWPK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408963 633748211 /nfs/dbraw/zinc/74/82/11/633748211.db2.gz APZNHJZEIDPWPK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027408963 633748216 /nfs/dbraw/zinc/74/82/16/633748216.db2.gz APZNHJZEIDPWPK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997596840 633892452 /nfs/dbraw/zinc/89/24/52/633892452.db2.gz PESCRCRBGLXEOP-ZMSDIMECSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110699 634142883 /nfs/dbraw/zinc/14/28/83/634142883.db2.gz OCXZWCPPTKVIRW-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001027577060 634180925 /nfs/dbraw/zinc/18/09/25/634180925.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027577060 634180933 /nfs/dbraw/zinc/18/09/33/634180933.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001027577060 634180938 /nfs/dbraw/zinc/18/09/38/634180938.db2.gz CLYHSVHPZLJNFV-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980189468 634885540 /nfs/dbraw/zinc/88/55/40/634885540.db2.gz WVSLRGGTQBJKCL-RCCFBDPRSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244782 634909709 /nfs/dbraw/zinc/90/97/09/634909709.db2.gz YXRBJMDHFWPJDC-BZSNNMDCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027929286 634991478 /nfs/dbraw/zinc/99/14/78/634991478.db2.gz DCOXINGHTQFHJA-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929286 634991481 /nfs/dbraw/zinc/99/14/81/634991481.db2.gz DCOXINGHTQFHJA-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929286 634991486 /nfs/dbraw/zinc/99/14/86/634991486.db2.gz DCOXINGHTQFHJA-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070731 635397568 /nfs/dbraw/zinc/39/75/68/635397568.db2.gz TYTSLPKTHLYYRB-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070731 635397575 /nfs/dbraw/zinc/39/75/75/635397575.db2.gz TYTSLPKTHLYYRB-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070731 635397581 /nfs/dbraw/zinc/39/75/81/635397581.db2.gz TYTSLPKTHLYYRB-GOSISDBHSA-N 2 1 319.493 2.433 20 30 DEEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001230698 635432569 /nfs/dbraw/zinc/43/25/69/635432569.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230698 635432578 /nfs/dbraw/zinc/43/25/78/635432578.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001230698 635432582 /nfs/dbraw/zinc/43/25/82/635432582.db2.gz WGYNSAHLFSJPLY-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(CC)CC)CC1 ZINC000981364911 635454181 /nfs/dbraw/zinc/45/41/81/635454181.db2.gz ALJLBCVCTPAMCH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC000981364911 635454185 /nfs/dbraw/zinc/45/41/85/635454185.db2.gz ALJLBCVCTPAMCH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(CC)CC)CC1 ZINC000981364911 635454188 /nfs/dbraw/zinc/45/41/88/635454188.db2.gz ALJLBCVCTPAMCH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(CC)CC)CC1 ZINC000981364911 635454193 /nfs/dbraw/zinc/45/41/93/635454193.db2.gz ALJLBCVCTPAMCH-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438051 635483320 /nfs/dbraw/zinc/48/33/20/635483320.db2.gz JELNZJSOWYGHIK-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000981438051 635483323 /nfs/dbraw/zinc/48/33/23/635483323.db2.gz JELNZJSOWYGHIK-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438051 635483328 /nfs/dbraw/zinc/48/33/28/635483328.db2.gz JELNZJSOWYGHIK-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981510153 635509097 /nfs/dbraw/zinc/50/90/97/635509097.db2.gz MCOAQGNAMSVTAR-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981510153 635509101 /nfs/dbraw/zinc/50/91/01/635509101.db2.gz MCOAQGNAMSVTAR-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981806300 635663836 /nfs/dbraw/zinc/66/38/36/635663836.db2.gz PJTQJFHZRJMVQN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981806300 635663839 /nfs/dbraw/zinc/66/38/39/635663839.db2.gz PJTQJFHZRJMVQN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181643 635783103 /nfs/dbraw/zinc/78/31/03/635783103.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181643 635783104 /nfs/dbraw/zinc/78/31/04/635783104.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181643 635783105 /nfs/dbraw/zinc/78/31/05/635783105.db2.gz XGEXCWUPSQUHCQ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982116068 635874931 /nfs/dbraw/zinc/87/49/31/635874931.db2.gz FHRGCOPTJDLWSJ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028235391 635936802 /nfs/dbraw/zinc/93/68/02/635936802.db2.gz WLWMTHKJAGIUNW-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296119 635953451 /nfs/dbraw/zinc/95/34/51/635953451.db2.gz JXSWVWFAXYFHCP-YTQUADARSA-N 2 1 319.493 2.073 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028253774 635964543 /nfs/dbraw/zinc/96/45/43/635964543.db2.gz GQELXILDLQMQRW-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253774 635964545 /nfs/dbraw/zinc/96/45/45/635964545.db2.gz GQELXILDLQMQRW-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028253774 635964546 /nfs/dbraw/zinc/96/45/46/635964546.db2.gz GQELXILDLQMQRW-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004203597 636221913 /nfs/dbraw/zinc/22/19/13/636221913.db2.gz LILPIGFPUZLEBW-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498439 636470652 /nfs/dbraw/zinc/47/06/52/636470652.db2.gz HLCMVGLSIBFUMG-KRWDZBQOSA-N 2 1 316.449 2.162 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001004624997 636502037 /nfs/dbraw/zinc/50/20/37/636502037.db2.gz NETXCRQXUNETEK-KRWDZBQOSA-N 2 1 316.449 2.162 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845379 636784206 /nfs/dbraw/zinc/78/42/06/636784206.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845379 636784212 /nfs/dbraw/zinc/78/42/12/636784212.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845379 636784215 /nfs/dbraw/zinc/78/42/15/636784215.db2.gz JWGQBSLRBMGLID-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918333 636849770 /nfs/dbraw/zinc/84/97/70/636849770.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918333 636849775 /nfs/dbraw/zinc/84/97/75/636849775.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918333 636849779 /nfs/dbraw/zinc/84/97/79/636849779.db2.gz FGITZAQVBQJNRD-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CN(C)CC[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000894451637 637045673 /nfs/dbraw/zinc/04/56/73/637045673.db2.gz QPLGSFFRVCBBJY-UHFFFAOYSA-N 2 1 314.477 2.264 20 30 DEEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000894451637 637045676 /nfs/dbraw/zinc/04/56/76/637045676.db2.gz QPLGSFFRVCBBJY-UHFFFAOYSA-N 2 1 314.477 2.264 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385774 637154292 /nfs/dbraw/zinc/15/42/92/637154292.db2.gz IAGVCFMSQINIRS-MOPGFXCFSA-N 2 1 313.445 2.303 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985432722 639399784 /nfs/dbraw/zinc/39/97/84/639399784.db2.gz GZZVCNKVXUTKOR-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985700709 639590627 /nfs/dbraw/zinc/59/06/27/639590627.db2.gz DXLXDVGVCNFAMH-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987101821 640086497 /nfs/dbraw/zinc/08/64/97/640086497.db2.gz HUDOQECBPHZZRK-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987102712 640087527 /nfs/dbraw/zinc/08/75/27/640087527.db2.gz BHJKNZOCFRVGRO-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411833 640540364 /nfs/dbraw/zinc/54/03/64/640540364.db2.gz CGFASUZQPZSCLY-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411833 640540370 /nfs/dbraw/zinc/54/03/70/640540370.db2.gz CGFASUZQPZSCLY-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411833 640540375 /nfs/dbraw/zinc/54/03/75/640540375.db2.gz CGFASUZQPZSCLY-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411833 640540381 /nfs/dbraw/zinc/54/03/81/640540381.db2.gz CGFASUZQPZSCLY-IEBWSBKVSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989507593 641130653 /nfs/dbraw/zinc/13/06/53/641130653.db2.gz SEYPRTMBXAKSAY-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP N#Cc1ccccc1N1CCC([NH2+]C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903935095 643514628 /nfs/dbraw/zinc/51/46/28/643514628.db2.gz MQJWURFACUVWAE-ZDUSSCGKSA-N 2 1 308.376 2.099 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991624472 646549984 /nfs/dbraw/zinc/54/99/84/646549984.db2.gz MVWDMMJIDRYLPD-MJGOQNOKSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C(C)C)CCC[C@@H]12 ZINC000992266035 646920883 /nfs/dbraw/zinc/92/08/83/646920883.db2.gz XUJLYAPZFDJSES-CRAIPNDOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266035 646920886 /nfs/dbraw/zinc/92/08/86/646920886.db2.gz XUJLYAPZFDJSES-CRAIPNDOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992266035 646920890 /nfs/dbraw/zinc/92/08/90/646920890.db2.gz XUJLYAPZFDJSES-CRAIPNDOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992435467 647000648 /nfs/dbraw/zinc/00/06/48/647000648.db2.gz UWEWBRRWLBJQOM-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435467 647000649 /nfs/dbraw/zinc/00/06/49/647000649.db2.gz UWEWBRRWLBJQOM-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992435467 647000651 /nfs/dbraw/zinc/00/06/51/647000651.db2.gz UWEWBRRWLBJQOM-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316598 647595900 /nfs/dbraw/zinc/59/59/00/647595900.db2.gz RDSUKAIBMSWUMU-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993316598 647595901 /nfs/dbraw/zinc/59/59/01/647595901.db2.gz RDSUKAIBMSWUMU-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993501615 647681226 /nfs/dbraw/zinc/68/12/26/647681226.db2.gz LVTWBRMXALJMLR-QAPCUYQASA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993922564 647766997 /nfs/dbraw/zinc/76/69/97/647766997.db2.gz BWQOOIBWXDEBGW-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994162363 647797684 /nfs/dbraw/zinc/79/76/84/647797684.db2.gz ACJRUILHMYKPTF-YJBOKZPZSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027310 648988365 /nfs/dbraw/zinc/98/83/65/648988365.db2.gz VFKUNFJZYAWHGB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027310 648988370 /nfs/dbraw/zinc/98/83/70/648988370.db2.gz VFKUNFJZYAWHGB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027310 648988374 /nfs/dbraw/zinc/98/83/74/648988374.db2.gz VFKUNFJZYAWHGB-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052286 649143141 /nfs/dbraw/zinc/14/31/41/649143141.db2.gz DVUNPHUYXSRTSV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942054566 649145776 /nfs/dbraw/zinc/14/57/76/649145776.db2.gz XLVZUMUUJQXHJT-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256098 649191414 /nfs/dbraw/zinc/19/14/14/649191414.db2.gz CVTBQBBVEPOSEU-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942287599 649200645 /nfs/dbraw/zinc/20/06/45/649200645.db2.gz LPSDFCWXRMAKLE-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000304760523 685260155 /nfs/dbraw/zinc/26/01/55/685260155.db2.gz SNBWHXHBZCUOGM-LALPHHSUSA-N 2 1 322.403 2.209 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000304762958 685260851 /nfs/dbraw/zinc/26/08/51/685260851.db2.gz WGXXTPFEIHDGAZ-KRWDZBQOSA-N 2 1 302.466 2.235 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134991 693858719 /nfs/dbraw/zinc/85/87/19/693858719.db2.gz RXDHFRSPTCBTHB-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134991 693858722 /nfs/dbraw/zinc/85/87/22/693858722.db2.gz RXDHFRSPTCBTHB-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134991 693858724 /nfs/dbraw/zinc/85/87/24/693858724.db2.gz RXDHFRSPTCBTHB-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197907 693879560 /nfs/dbraw/zinc/87/95/60/693879560.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197907 693879564 /nfs/dbraw/zinc/87/95/64/693879564.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197907 693879566 /nfs/dbraw/zinc/87/95/66/693879566.db2.gz LNUKSHSIIQTEKC-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP COc1ccc([C@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)cc1 ZINC000303718940 685233592 /nfs/dbraw/zinc/23/35/92/685233592.db2.gz VNCRIBQLZBURAE-INIZCTEOSA-N 2 1 304.438 2.145 20 30 DEEDMP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)Cc1ccccc1 ZINC000303783923 685234503 /nfs/dbraw/zinc/23/45/03/685234503.db2.gz ORGLYZABNWLFKL-LJQANCHMSA-N 2 1 324.472 2.306 20 30 DEEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC ZINC000303871010 685236677 /nfs/dbraw/zinc/23/66/77/685236677.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303871010 685236685 /nfs/dbraw/zinc/23/66/85/685236685.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CCCC[NH+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303871010 685236690 /nfs/dbraw/zinc/23/66/90/685236690.db2.gz FOYYYELWTLEJSP-IRXDYDNUSA-N 3 1 323.529 2.030 20 30 DEEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000303896705 685238612 /nfs/dbraw/zinc/23/86/12/685238612.db2.gz USWMZJHZPAYRGA-CYBMUJFWSA-N 2 1 320.437 2.162 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303893991 685239040 /nfs/dbraw/zinc/23/90/40/685239040.db2.gz SHIWHQGSCNHTIF-CQSZACIVSA-N 2 1 300.450 2.138 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCC1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000303893991 685239044 /nfs/dbraw/zinc/23/90/44/685239044.db2.gz SHIWHQGSCNHTIF-CQSZACIVSA-N 2 1 300.450 2.138 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000303909303 685239558 /nfs/dbraw/zinc/23/95/58/685239558.db2.gz YCBJOHZHLWKVNX-DLBZAZTESA-N 2 1 314.477 2.495 20 30 DEEDMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865436270 687210432 /nfs/dbraw/zinc/21/04/32/687210432.db2.gz ZCQFRUKUAFBULR-INIZCTEOSA-N 2 1 300.450 2.444 20 30 DEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865436270 687210436 /nfs/dbraw/zinc/21/04/36/687210436.db2.gz ZCQFRUKUAFBULR-INIZCTEOSA-N 2 1 300.450 2.444 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016858536 687720915 /nfs/dbraw/zinc/72/09/15/687720915.db2.gz FWULOCHEOIJJEY-HNNXBMFYSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133177 688060119 /nfs/dbraw/zinc/06/01/19/688060119.db2.gz VFOZIAYUNVOACL-HDICACEKSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133177 688060125 /nfs/dbraw/zinc/06/01/25/688060125.db2.gz VFOZIAYUNVOACL-HDICACEKSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845558 688545375 /nfs/dbraw/zinc/54/53/75/688545375.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845558 688545377 /nfs/dbraw/zinc/54/53/77/688545377.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845558 688545378 /nfs/dbraw/zinc/54/53/78/688545378.db2.gz MLWJBYZXWGQRSP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001201 688549303 /nfs/dbraw/zinc/54/93/03/688549303.db2.gz RIMYNCDASGDFII-MRXNPFEDSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806775 689000713 /nfs/dbraw/zinc/00/07/13/689000713.db2.gz OLCAPOWIUXMOJP-QGZVFWFLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592100 689195982 /nfs/dbraw/zinc/19/59/82/689195982.db2.gz GPQUFRJZGMCMJB-HOTGVXAUSA-N 2 1 317.433 2.206 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592100 689195983 /nfs/dbraw/zinc/19/59/83/689195983.db2.gz GPQUFRJZGMCMJB-HOTGVXAUSA-N 2 1 317.433 2.206 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930903250 694267329 /nfs/dbraw/zinc/26/73/29/694267329.db2.gz IQIVWFSSGHCHGR-GOSISDBHSA-N 2 1 301.434 2.064 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930903250 694267333 /nfs/dbraw/zinc/26/73/33/694267333.db2.gz IQIVWFSSGHCHGR-GOSISDBHSA-N 2 1 301.434 2.064 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736427 689241437 /nfs/dbraw/zinc/24/14/37/689241437.db2.gz QAFIHCOQKOJDAK-GJZGRUSLSA-N 2 1 314.433 2.013 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736427 689241440 /nfs/dbraw/zinc/24/14/40/689241440.db2.gz QAFIHCOQKOJDAK-GJZGRUSLSA-N 2 1 314.433 2.013 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835113 689630681 /nfs/dbraw/zinc/63/06/81/689630681.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835113 689630682 /nfs/dbraw/zinc/63/06/82/689630682.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835113 689630683 /nfs/dbraw/zinc/63/06/83/689630683.db2.gz MWMLSWYWLDJULF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003727 689689638 /nfs/dbraw/zinc/68/96/38/689689638.db2.gz HJKYPECBDACKEP-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204252 689761325 /nfs/dbraw/zinc/76/13/25/689761325.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204252 689761328 /nfs/dbraw/zinc/76/13/28/689761328.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204252 689761330 /nfs/dbraw/zinc/76/13/30/689761330.db2.gz LDKQVRNCSYVIHQ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214395 689765594 /nfs/dbraw/zinc/76/55/94/689765594.db2.gz LLJHXROZOVTEOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214395 689765595 /nfs/dbraw/zinc/76/55/95/689765595.db2.gz LLJHXROZOVTEOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214395 689765596 /nfs/dbraw/zinc/76/55/96/689765596.db2.gz LLJHXROZOVTEOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249646 689781275 /nfs/dbraw/zinc/78/12/75/689781275.db2.gz MGGKVGPTDJGDBR-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249646 689781277 /nfs/dbraw/zinc/78/12/77/689781277.db2.gz MGGKVGPTDJGDBR-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000876724704 689916342 /nfs/dbraw/zinc/91/63/42/689916342.db2.gz GKGDLYFYULXAKU-KGLIPLIRSA-N 2 1 301.862 2.227 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724858 689917125 /nfs/dbraw/zinc/91/71/25/689917125.db2.gz ARBIPFFIXPZVEI-GUTXKFCHSA-N 2 1 315.889 2.331 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736361 689921402 /nfs/dbraw/zinc/92/14/02/689921402.db2.gz KAPFDNRKGBLYPS-MBNYWOFBSA-N 2 1 315.889 2.329 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034684384 689926227 /nfs/dbraw/zinc/92/62/27/689926227.db2.gz KKDCQRJIAYYAJJ-ULQDDVLXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034711880 689931493 /nfs/dbraw/zinc/93/14/93/689931493.db2.gz KAMCRKAFIDXBJT-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034711879 689931547 /nfs/dbraw/zinc/93/15/47/689931547.db2.gz KAMCRKAFIDXBJT-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876989100 689991718 /nfs/dbraw/zinc/99/17/18/689991718.db2.gz OKZNZOUYVVJXBS-HOCLYGCPSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000876989100 689991720 /nfs/dbraw/zinc/99/17/20/689991720.db2.gz OKZNZOUYVVJXBS-HOCLYGCPSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737778 690454334 /nfs/dbraw/zinc/45/43/34/690454334.db2.gz WDURUJOKEMOULB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737778 690454337 /nfs/dbraw/zinc/45/43/37/690454337.db2.gz WDURUJOKEMOULB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737778 690454341 /nfs/dbraw/zinc/45/43/41/690454341.db2.gz WDURUJOKEMOULB-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586150 690681763 /nfs/dbraw/zinc/68/17/63/690681763.db2.gz FNXQGGDXBXEYKM-UHFFFAOYSA-N 2 1 309.417 2.276 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039133109 691030211 /nfs/dbraw/zinc/03/02/11/691030211.db2.gz FLKRNCFBZKLJKR-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133109 691030215 /nfs/dbraw/zinc/03/02/15/691030215.db2.gz FLKRNCFBZKLJKR-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039133109 691030218 /nfs/dbraw/zinc/03/02/18/691030218.db2.gz FLKRNCFBZKLJKR-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040465053 691252441 /nfs/dbraw/zinc/25/24/41/691252441.db2.gz UOOSBDLCMBIOBJ-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040701302 691280289 /nfs/dbraw/zinc/28/02/89/691280289.db2.gz XRBJJVZYSQEYSY-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848981 691292886 /nfs/dbraw/zinc/29/28/86/691292886.db2.gz MZPGJRQGVUNUQM-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948300 691300157 /nfs/dbraw/zinc/30/01/57/691300157.db2.gz OCSRBCCPWBWYRW-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357413 691367250 /nfs/dbraw/zinc/36/72/50/691367250.db2.gz HFDWKKIHFVWQBV-HKUYNNGSSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845659 691444181 /nfs/dbraw/zinc/44/41/81/691444181.db2.gz MLFLDGZEEBGNCU-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845659 691444186 /nfs/dbraw/zinc/44/41/86/691444186.db2.gz MLFLDGZEEBGNCU-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845659 691444188 /nfs/dbraw/zinc/44/41/88/691444188.db2.gz MLFLDGZEEBGNCU-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133350 691517459 /nfs/dbraw/zinc/51/74/59/691517459.db2.gz JDTMHNAEVAVORS-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042369418 691584257 /nfs/dbraw/zinc/58/42/57/691584257.db2.gz XTXSTBWXEPANFS-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438735 691981198 /nfs/dbraw/zinc/98/11/98/691981198.db2.gz WFGMRYZTITUXCL-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000886016746 691984279 /nfs/dbraw/zinc/98/42/79/691984279.db2.gz KRJKSTYFOIPLEU-SJORKVTESA-N 2 1 305.466 2.382 20 30 DEEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531480 691993413 /nfs/dbraw/zinc/99/34/13/691993413.db2.gz KCCAUXYHOCFSGT-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531104 691993556 /nfs/dbraw/zinc/99/35/56/691993556.db2.gz DJTMTUNHOZWXER-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046315238 692149597 /nfs/dbraw/zinc/14/95/97/692149597.db2.gz IJIOZXWHHJNBDN-SJLPKXTDSA-N 2 1 307.482 2.406 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000887132720 692287140 /nfs/dbraw/zinc/28/71/40/692287140.db2.gz LRORCSDIJAAYKI-BEFAXECRSA-N 2 1 322.412 2.197 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172458 692779737 /nfs/dbraw/zinc/77/97/37/692779737.db2.gz WWIQKTJILDNDTL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049514813 692906888 /nfs/dbraw/zinc/90/68/88/692906888.db2.gz JHCVNUGXQWGHHR-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514813 692906892 /nfs/dbraw/zinc/90/68/92/692906892.db2.gz JHCVNUGXQWGHHR-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049514813 692906896 /nfs/dbraw/zinc/90/68/96/692906896.db2.gz JHCVNUGXQWGHHR-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549766 692918663 /nfs/dbraw/zinc/91/86/63/692918663.db2.gz ISXYBHLZRXFOFG-IXDOHACOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671617 692961220 /nfs/dbraw/zinc/96/12/20/692961220.db2.gz LXZGAURQICEJIV-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671617 692961224 /nfs/dbraw/zinc/96/12/24/692961224.db2.gz LXZGAURQICEJIV-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671617 692961225 /nfs/dbraw/zinc/96/12/25/692961225.db2.gz LXZGAURQICEJIV-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP COCC[N@H+](Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000895692599 692998075 /nfs/dbraw/zinc/99/80/75/692998075.db2.gz UPLUCCPDSGBLAN-UHFFFAOYSA-N 2 1 307.463 2.410 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846202 693020323 /nfs/dbraw/zinc/02/03/23/693020323.db2.gz GIYSGOOUNINOGJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446861 693537118 /nfs/dbraw/zinc/53/71/18/693537118.db2.gz RURMDJNFXIUANZ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446861 693537122 /nfs/dbraw/zinc/53/71/22/693537122.db2.gz RURMDJNFXIUANZ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052446861 693537125 /nfs/dbraw/zinc/53/71/25/693537125.db2.gz RURMDJNFXIUANZ-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513870 693554274 /nfs/dbraw/zinc/55/42/74/693554274.db2.gz JXJVNCUJMKTURM-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515293 693555298 /nfs/dbraw/zinc/55/52/98/693555298.db2.gz CRGPGAFDAOLIPQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515293 693555300 /nfs/dbraw/zinc/55/53/00/693555300.db2.gz CRGPGAFDAOLIPQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001052515293 693555305 /nfs/dbraw/zinc/55/53/05/693555305.db2.gz CRGPGAFDAOLIPQ-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663510 693591946 /nfs/dbraw/zinc/59/19/46/693591946.db2.gz SYPXFKGQXNNRRT-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764439 693614656 /nfs/dbraw/zinc/61/46/56/693614656.db2.gz PIBCIUZOUPKMHI-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820341 693625421 /nfs/dbraw/zinc/62/54/21/693625421.db2.gz OBXHWWCJSSSWBS-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052838011 693629697 /nfs/dbraw/zinc/62/96/97/693629697.db2.gz YKBVQLMWAPNIPQ-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332143605 1149825402 /nfs/dbraw/zinc/82/54/02/1149825402.db2.gz BOGXPGOBWNLGNY-GVDBMIGSSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001333101328 1149998682 /nfs/dbraw/zinc/99/86/82/1149998682.db2.gz SGPLLIYWJLTRRC-MRXNPFEDSA-N 2 1 316.449 2.301 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001371071153 1155683282 /nfs/dbraw/zinc/68/32/82/1155683282.db2.gz LMAFUIJFLMTQNI-UHFFFAOYSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001376294028 1159321524 /nfs/dbraw/zinc/32/15/24/1159321524.db2.gz XJELZLIHDYBMDP-OAHLLOKOSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001376621884 1159607900 /nfs/dbraw/zinc/60/79/00/1159607900.db2.gz VUGGVPHWMKNDIN-AWEZNQCLSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)CN1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001404710715 1163794094 /nfs/dbraw/zinc/79/40/94/1163794094.db2.gz OMWRWQGCBDYPDE-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001408303153 1165574608 /nfs/dbraw/zinc/57/46/08/1165574608.db2.gz ZJJSSVYXKAHMMY-HIFRSBDPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001440346126 1181458515 /nfs/dbraw/zinc/45/85/15/1181458515.db2.gz VARLNCZWSNWACC-UHFFFAOYSA-N 2 1 324.856 2.353 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001441212618 1181896803 /nfs/dbraw/zinc/89/68/03/1181896803.db2.gz UEHBSBBSULVLAD-GJZGRUSLSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001446667395 1184486395 /nfs/dbraw/zinc/48/63/95/1184486395.db2.gz SHZHRZIHZBLPNH-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001446667395 1184486402 /nfs/dbraw/zinc/48/64/02/1184486402.db2.gz SHZHRZIHZBLPNH-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001446667395 1184486413 /nfs/dbraw/zinc/48/64/13/1184486413.db2.gz SHZHRZIHZBLPNH-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001446667395 1184486429 /nfs/dbraw/zinc/48/64/29/1184486429.db2.gz SHZHRZIHZBLPNH-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001448725607 1185384667 /nfs/dbraw/zinc/38/46/67/1185384667.db2.gz MQQIPMOXJODZBQ-ZDUSSCGKSA-N 2 1 303.878 2.153 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112029 782259775 /nfs/dbraw/zinc/25/97/75/782259775.db2.gz VTXXOAWZCYIAIR-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463148 782483744 /nfs/dbraw/zinc/48/37/44/782483744.db2.gz OBRJDLPENSPACO-UHFFFAOYSA-N 2 1 315.461 2.181 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463148 782483746 /nfs/dbraw/zinc/48/37/46/782483746.db2.gz OBRJDLPENSPACO-UHFFFAOYSA-N 2 1 315.461 2.181 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334930 782771616 /nfs/dbraw/zinc/77/16/16/782771616.db2.gz LOGOVOSNKZHMDX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334930 782771624 /nfs/dbraw/zinc/77/16/24/782771624.db2.gz LOGOVOSNKZHMDX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334930 782771630 /nfs/dbraw/zinc/77/16/30/782771630.db2.gz LOGOVOSNKZHMDX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356554 782794589 /nfs/dbraw/zinc/79/45/89/782794589.db2.gz HBAMVCSHTUPBRB-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401072 783068809 /nfs/dbraw/zinc/06/88/09/783068809.db2.gz OMYCEZMAIOSDMV-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401072 783068813 /nfs/dbraw/zinc/06/88/13/783068813.db2.gz OMYCEZMAIOSDMV-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401072 783068815 /nfs/dbraw/zinc/06/88/15/783068815.db2.gz OMYCEZMAIOSDMV-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089560238 783208546 /nfs/dbraw/zinc/20/85/46/783208546.db2.gz XFJIGDKXAZXHRM-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560238 783208555 /nfs/dbraw/zinc/20/85/55/783208555.db2.gz XFJIGDKXAZXHRM-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089560238 783208560 /nfs/dbraw/zinc/20/85/60/783208560.db2.gz XFJIGDKXAZXHRM-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125969 790472950 /nfs/dbraw/zinc/47/29/50/790472950.db2.gz QTLUXXRHDUNMEK-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580732 777350501 /nfs/dbraw/zinc/35/05/01/777350501.db2.gz IQZRESZRPOAJJL-UHFFFAOYSA-N 2 1 306.454 2.459 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529804 778608529 /nfs/dbraw/zinc/60/85/29/778608529.db2.gz PZMAKWRDAMWTIM-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642051 779390708 /nfs/dbraw/zinc/39/07/08/779390708.db2.gz RGBQEZKKSQIYHX-DLBZAZTESA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797043 779454939 /nfs/dbraw/zinc/45/49/39/779454939.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797043 779454944 /nfs/dbraw/zinc/45/49/44/779454944.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087797043 779454949 /nfs/dbraw/zinc/45/49/49/779454949.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087797043 779454953 /nfs/dbraw/zinc/45/49/53/779454953.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087797043 779454956 /nfs/dbraw/zinc/45/49/56/779454956.db2.gz VWDMGGHCXWPNOC-QLFBSQMISA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150536 779730071 /nfs/dbraw/zinc/73/00/71/779730071.db2.gz JHUVDRNLKFPAKV-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212597 779776238 /nfs/dbraw/zinc/77/62/38/779776238.db2.gz BPYVODZQXQRLQU-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212597 779776244 /nfs/dbraw/zinc/77/62/44/779776244.db2.gz BPYVODZQXQRLQU-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3nccn32)CC1 ZINC000985471428 779854411 /nfs/dbraw/zinc/85/44/11/779854411.db2.gz UIFLBNZWLPXWGC-MRXNPFEDSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471428 779854423 /nfs/dbraw/zinc/85/44/23/779854423.db2.gz UIFLBNZWLPXWGC-MRXNPFEDSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471428 779854426 /nfs/dbraw/zinc/85/44/26/779854426.db2.gz UIFLBNZWLPXWGC-MRXNPFEDSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001088381245 780050062 /nfs/dbraw/zinc/05/00/62/780050062.db2.gz AIWNVOFMUISSMU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363628 781040082 /nfs/dbraw/zinc/04/00/82/781040082.db2.gz MZEUEBNUVIXJSP-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3)[C@@H]2C1 ZINC001076303153 781203123 /nfs/dbraw/zinc/20/31/23/781203123.db2.gz LMDRELWQAIHWET-YESZJQIVSA-N 2 1 316.449 2.333 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947937042 783273103 /nfs/dbraw/zinc/27/31/03/783273103.db2.gz ZWYSFDOZGJWQEC-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111275232 783488586 /nfs/dbraw/zinc/48/85/86/783488586.db2.gz ROXDZDUELCVGCL-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275232 783488596 /nfs/dbraw/zinc/48/85/96/783488596.db2.gz ROXDZDUELCVGCL-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275232 783488603 /nfs/dbraw/zinc/48/86/03/783488603.db2.gz ROXDZDUELCVGCL-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519269 783544253 /nfs/dbraw/zinc/54/42/53/783544253.db2.gz GZKBPIOFEGQMLK-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC(CC)CC ZINC001085646417 783924827 /nfs/dbraw/zinc/92/48/27/783924827.db2.gz BGSZIFPVAQHDBU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC(CC)CC ZINC001085646417 783924832 /nfs/dbraw/zinc/92/48/32/783924832.db2.gz BGSZIFPVAQHDBU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(CC)CC ZINC001085646417 783924836 /nfs/dbraw/zinc/92/48/36/783924836.db2.gz BGSZIFPVAQHDBU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC(CC)CC ZINC001085646417 783924843 /nfs/dbraw/zinc/92/48/43/783924843.db2.gz BGSZIFPVAQHDBU-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686139 783964488 /nfs/dbraw/zinc/96/44/88/783964488.db2.gz KLLKLONGEKOWQT-INIZCTEOSA-N 2 1 312.417 2.365 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001085695629 783972500 /nfs/dbraw/zinc/97/25/00/783972500.db2.gz ODAJXNJKUNSBAK-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901514 784192763 /nfs/dbraw/zinc/19/27/63/784192763.db2.gz HDSQEJDXMGEQEY-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917396 784209255 /nfs/dbraw/zinc/20/92/55/784209255.db2.gz YQTSSNXANXIFBU-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985031 784287553 /nfs/dbraw/zinc/28/75/53/784287553.db2.gz REBNDGMWVADKQZ-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968676443 784533834 /nfs/dbraw/zinc/53/38/34/784533834.db2.gz KIVNUOSHDOANAT-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086364745 784626041 /nfs/dbraw/zinc/62/60/41/784626041.db2.gz PMUZJRBHZPVJQY-KKUMJFAQSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919983 784650043 /nfs/dbraw/zinc/65/00/43/784650043.db2.gz NCUHCPGKWITDIS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919983 784650048 /nfs/dbraw/zinc/65/00/48/784650048.db2.gz NCUHCPGKWITDIS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919983 784650053 /nfs/dbraw/zinc/65/00/53/784650053.db2.gz NCUHCPGKWITDIS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919983 784650057 /nfs/dbraw/zinc/65/00/57/784650057.db2.gz NCUHCPGKWITDIS-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969002104 784687397 /nfs/dbraw/zinc/68/73/97/784687397.db2.gz KSINSHCBDKKZSA-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000969002104 784687401 /nfs/dbraw/zinc/68/74/01/784687401.db2.gz KSINSHCBDKKZSA-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969002104 784687408 /nfs/dbraw/zinc/68/74/08/784687408.db2.gz KSINSHCBDKKZSA-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014262 784690180 /nfs/dbraw/zinc/69/01/80/784690180.db2.gz VWAKECJQGGGELS-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001007368334 784901230 /nfs/dbraw/zinc/90/12/30/784901230.db2.gz FXZRLAVBTUADNW-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368334 784901235 /nfs/dbraw/zinc/90/12/35/784901235.db2.gz FXZRLAVBTUADNW-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001007368334 784901244 /nfs/dbraw/zinc/90/12/44/784901244.db2.gz FXZRLAVBTUADNW-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007746846 784989541 /nfs/dbraw/zinc/98/95/41/784989541.db2.gz OQMPPULBQOLVTH-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746846 784989544 /nfs/dbraw/zinc/98/95/44/784989544.db2.gz OQMPPULBQOLVTH-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007746846 784989550 /nfs/dbraw/zinc/98/95/50/784989550.db2.gz OQMPPULBQOLVTH-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122593 785044696 /nfs/dbraw/zinc/04/46/96/785044696.db2.gz AVBCNVSYHLYNQW-NNZMDNLPSA-N 3 1 300.450 2.279 20 30 DEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001169141632 785060330 /nfs/dbraw/zinc/06/03/30/785060330.db2.gz RDXWKNAAFBRGRY-REPLKXPHSA-N 2 1 310.445 2.305 20 30 DEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001169141632 785060339 /nfs/dbraw/zinc/06/03/39/785060339.db2.gz RDXWKNAAFBRGRY-REPLKXPHSA-N 2 1 310.445 2.305 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724133 785997188 /nfs/dbraw/zinc/99/71/88/785997188.db2.gz CPOAPSQTYYPASB-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724133 785997195 /nfs/dbraw/zinc/99/71/95/785997195.db2.gz CPOAPSQTYYPASB-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724133 785997201 /nfs/dbraw/zinc/99/72/01/785997201.db2.gz CPOAPSQTYYPASB-PMPSAXMXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865429 786089316 /nfs/dbraw/zinc/08/93/16/786089316.db2.gz PEUWXLJDIJICPB-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932934 786102593 /nfs/dbraw/zinc/10/25/93/786102593.db2.gz ZOQNGUCFLIUIAS-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932934 786102597 /nfs/dbraw/zinc/10/25/97/786102597.db2.gz ZOQNGUCFLIUIAS-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932934 786102600 /nfs/dbraw/zinc/10/26/00/786102600.db2.gz ZOQNGUCFLIUIAS-YVSFHVDLSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113434572 786596633 /nfs/dbraw/zinc/59/66/33/786596633.db2.gz OWDGCBKOJSHZBU-UHFFFAOYSA-N 2 1 304.438 2.082 20 30 DEEDMP CCCCCCC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113536248 786666727 /nfs/dbraw/zinc/66/67/27/786666727.db2.gz KCIOFAZKSLDTCY-QGZVFWFLSA-N 2 1 309.498 2.443 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015377573 787022953 /nfs/dbraw/zinc/02/29/53/787022953.db2.gz QLZVDZKLLRBYNB-QGZVFWFLSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015597941 787130267 /nfs/dbraw/zinc/13/02/67/787130267.db2.gz CPGSHGUILFNFLD-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015597941 787130270 /nfs/dbraw/zinc/13/02/70/787130270.db2.gz CPGSHGUILFNFLD-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015597941 787130276 /nfs/dbraw/zinc/13/02/76/787130276.db2.gz CPGSHGUILFNFLD-WBVHZDCISA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304245 787206479 /nfs/dbraw/zinc/20/64/79/787206479.db2.gz NFFZWOCXFYZNAX-BSXFFOKHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304245 787206485 /nfs/dbraw/zinc/20/64/85/787206485.db2.gz NFFZWOCXFYZNAX-BSXFFOKHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096611131 787760523 /nfs/dbraw/zinc/76/05/23/787760523.db2.gz JGBKWNXGDBLIEH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096611131 787760530 /nfs/dbraw/zinc/76/05/30/787760530.db2.gz JGBKWNXGDBLIEH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096611131 787760538 /nfs/dbraw/zinc/76/05/38/787760538.db2.gz JGBKWNXGDBLIEH-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212271 787967885 /nfs/dbraw/zinc/96/78/85/787967885.db2.gz VWGHEVVZGRFEFV-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264878 787995691 /nfs/dbraw/zinc/99/56/91/787995691.db2.gz DDKKJEZAQWBPFV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524510 788114173 /nfs/dbraw/zinc/11/41/73/788114173.db2.gz IEPJJABKMHEOQV-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694955 788183615 /nfs/dbraw/zinc/18/36/15/788183615.db2.gz LYNCBRPKEBTZNB-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694955 788183618 /nfs/dbraw/zinc/18/36/18/788183618.db2.gz LYNCBRPKEBTZNB-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694955 788183621 /nfs/dbraw/zinc/18/36/21/788183621.db2.gz LYNCBRPKEBTZNB-TVFCKZIOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262108 788338243 /nfs/dbraw/zinc/33/82/43/788338243.db2.gz GRDSAGVPRDLLJT-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086715446 788699873 /nfs/dbraw/zinc/69/98/73/788699873.db2.gz GOTHJQUQIXZLQC-RCCFBDPRSA-N 2 1 321.509 2.415 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135600767 789410952 /nfs/dbraw/zinc/41/09/52/789410952.db2.gz MTVROLPROWJVFV-HOTGVXAUSA-N 2 1 318.465 2.293 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135974656 789586108 /nfs/dbraw/zinc/58/61/08/789586108.db2.gz SNAVTDOIVOYWFW-KGLIPLIRSA-N 2 1 303.878 2.344 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071599826 789804116 /nfs/dbraw/zinc/80/41/16/789804116.db2.gz AXHXOCPFVGXJTP-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071645465 789837701 /nfs/dbraw/zinc/83/77/01/789837701.db2.gz JPZPAJPNWBSJDG-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682173 789863412 /nfs/dbraw/zinc/86/34/12/789863412.db2.gz IDCWUONHLYEZCE-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735530 789897232 /nfs/dbraw/zinc/89/72/32/789897232.db2.gz NMVHREUMOFFNDJ-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC)C2)CC1 ZINC001072096009 790050912 /nfs/dbraw/zinc/05/09/12/790050912.db2.gz RYTLJSOFQCUFKP-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001171307603 791559119 /nfs/dbraw/zinc/55/91/19/791559119.db2.gz JCLXFRIWWYSRBN-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC=C(C)C ZINC001171307603 791559122 /nfs/dbraw/zinc/55/91/22/791559122.db2.gz JCLXFRIWWYSRBN-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC ZINC001171307387 791559172 /nfs/dbraw/zinc/55/91/72/791559172.db2.gz IMUDHGYOEUSNMF-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC ZINC001171307387 791559175 /nfs/dbraw/zinc/55/91/75/791559175.db2.gz IMUDHGYOEUSNMF-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541852 791565069 /nfs/dbraw/zinc/56/50/69/791565069.db2.gz ZLLFPXCCRHSMPP-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541852 791565073 /nfs/dbraw/zinc/56/50/73/791565073.db2.gz ZLLFPXCCRHSMPP-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541852 791565078 /nfs/dbraw/zinc/56/50/78/791565078.db2.gz ZLLFPXCCRHSMPP-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098219717 791592467 /nfs/dbraw/zinc/59/24/67/791592467.db2.gz QJYZXWGBQPKARF-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098219717 791592473 /nfs/dbraw/zinc/59/24/73/791592473.db2.gz QJYZXWGBQPKARF-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001098219717 791592478 /nfs/dbraw/zinc/59/24/78/791592478.db2.gz QJYZXWGBQPKARF-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017653 791665412 /nfs/dbraw/zinc/66/54/12/791665412.db2.gz XKVHZAQCNSHYEM-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148277659 791728105 /nfs/dbraw/zinc/72/81/05/791728105.db2.gz JZNINVPRXFCDBH-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148277659 791728108 /nfs/dbraw/zinc/72/81/08/791728108.db2.gz JZNINVPRXFCDBH-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777149 791797166 /nfs/dbraw/zinc/79/71/66/791797166.db2.gz CBYTWHVOQNEJLK-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148838932 791809410 /nfs/dbraw/zinc/80/94/10/791809410.db2.gz IPOJRUGWCSTJMN-INIZCTEOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838932 791809415 /nfs/dbraw/zinc/80/94/15/791809415.db2.gz IPOJRUGWCSTJMN-INIZCTEOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148838932 791809418 /nfs/dbraw/zinc/80/94/18/791809418.db2.gz IPOJRUGWCSTJMN-INIZCTEOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092022091 791924069 /nfs/dbraw/zinc/92/40/69/791924069.db2.gz MZPKRTFXCIAMFV-RYRKJORJSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071451 791928432 /nfs/dbraw/zinc/92/84/32/791928432.db2.gz WKWJMNXTBSPYRX-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071451 791928434 /nfs/dbraw/zinc/92/84/34/791928434.db2.gz WKWJMNXTBSPYRX-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071451 791928439 /nfs/dbraw/zinc/92/84/39/791928439.db2.gz WKWJMNXTBSPYRX-AOIWGVFYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001099027707 792045156 /nfs/dbraw/zinc/04/51/56/792045156.db2.gz QLILXJZWABOIOT-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099027707 792045167 /nfs/dbraw/zinc/04/51/67/792045167.db2.gz QLILXJZWABOIOT-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099027707 792045176 /nfs/dbraw/zinc/04/51/76/792045176.db2.gz QLILXJZWABOIOT-RYRKJORJSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236206 792148170 /nfs/dbraw/zinc/14/81/70/792148170.db2.gz WZIYPRDBWPTTJN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236206 792148177 /nfs/dbraw/zinc/14/81/77/792148177.db2.gz WZIYPRDBWPTTJN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236206 792148183 /nfs/dbraw/zinc/14/81/83/792148183.db2.gz WZIYPRDBWPTTJN-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906858 792169645 /nfs/dbraw/zinc/16/96/45/792169645.db2.gz KDMPOLHVULAJOH-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906858 792169649 /nfs/dbraw/zinc/16/96/49/792169649.db2.gz KDMPOLHVULAJOH-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906858 792169653 /nfs/dbraw/zinc/16/96/53/792169653.db2.gz KDMPOLHVULAJOH-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100681004 792786104 /nfs/dbraw/zinc/78/61/04/792786104.db2.gz QGPFKTHTQHXIAZ-UHFFFAOYSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035883 792977902 /nfs/dbraw/zinc/97/79/02/792977902.db2.gz DAHOTRISTFENAE-VMWRSERWSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577282 792990734 /nfs/dbraw/zinc/99/07/34/792990734.db2.gz FECJPSXLVXOJSN-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577282 792990740 /nfs/dbraw/zinc/99/07/40/792990740.db2.gz FECJPSXLVXOJSN-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577282 792990747 /nfs/dbraw/zinc/99/07/47/792990747.db2.gz FECJPSXLVXOJSN-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101394808 793142765 /nfs/dbraw/zinc/14/27/65/793142765.db2.gz DZCZHJJUDGPFBF-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101394808 793142773 /nfs/dbraw/zinc/14/27/73/793142773.db2.gz DZCZHJJUDGPFBF-MJGOQNOKSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171634700 793171230 /nfs/dbraw/zinc/17/12/30/793171230.db2.gz WXHDTUATPWPDFB-IRXDYDNUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101982775 793468409 /nfs/dbraw/zinc/46/84/09/793468409.db2.gz JCRWAGSPDBKACQ-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101982775 793468415 /nfs/dbraw/zinc/46/84/15/793468415.db2.gz JCRWAGSPDBKACQ-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101982775 793468418 /nfs/dbraw/zinc/46/84/18/793468418.db2.gz JCRWAGSPDBKACQ-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047752 793486984 /nfs/dbraw/zinc/48/69/84/793486984.db2.gz RVUFSTODNBLQIX-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579608 793663918 /nfs/dbraw/zinc/66/39/18/793663918.db2.gz GTQRQINNZREZBF-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCOC1CCC([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173316293 793689235 /nfs/dbraw/zinc/68/92/35/793689235.db2.gz DZLQLHGINTZPFX-PUSDAICGSA-N 2 1 308.466 2.471 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359205 794057416 /nfs/dbraw/zinc/05/74/16/794057416.db2.gz OSRYPBIYCRGUCY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359205 794057423 /nfs/dbraw/zinc/05/74/23/794057423.db2.gz OSRYPBIYCRGUCY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359205 794057431 /nfs/dbraw/zinc/05/74/31/794057431.db2.gz OSRYPBIYCRGUCY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882989 794082384 /nfs/dbraw/zinc/08/23/84/794082384.db2.gz ZYRSNVOTIOIRMJ-MSOLQXFVSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927648 794102356 /nfs/dbraw/zinc/10/23/56/794102356.db2.gz FWZHOUURPSHBBE-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256300 794171225 /nfs/dbraw/zinc/17/12/25/794171225.db2.gz KYQJWNBCHNEOJE-CABCVRRESA-N 2 1 315.889 2.488 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188555 794262278 /nfs/dbraw/zinc/26/22/78/794262278.db2.gz GMCICIOOBYOKBT-IKGGRYGDSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176760438 794498860 /nfs/dbraw/zinc/49/88/60/794498860.db2.gz WOPYXHUQJHLLSD-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873282 794508399 /nfs/dbraw/zinc/50/83/99/794508399.db2.gz SVWFISHTFBXNDH-YJBOKZPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873282 794508402 /nfs/dbraw/zinc/50/84/02/794508402.db2.gz SVWFISHTFBXNDH-YJBOKZPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527884 794941219 /nfs/dbraw/zinc/94/12/19/794941219.db2.gz PTLOSXKBLCYTBV-DLBZAZTESA-N 2 1 307.482 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060624 795233682 /nfs/dbraw/zinc/23/36/82/795233682.db2.gz JTYPAVFVRMXARD-OAHLLOKOSA-N 2 1 315.889 2.347 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372940 795292784 /nfs/dbraw/zinc/29/27/84/795292784.db2.gz OTBGOPCMDQJIPB-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120421864 795456205 /nfs/dbraw/zinc/45/62/05/795456205.db2.gz FPDZZZIGEWWYQP-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120470998 795467097 /nfs/dbraw/zinc/46/70/97/795467097.db2.gz VEPGDOZPGAOTPK-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470998 795467101 /nfs/dbraw/zinc/46/71/01/795467101.db2.gz VEPGDOZPGAOTPK-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470998 795467103 /nfs/dbraw/zinc/46/71/03/795467103.db2.gz VEPGDOZPGAOTPK-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121254798 795607584 /nfs/dbraw/zinc/60/75/84/795607584.db2.gz BPZKRKCBLKUXMC-HVEGKCCWSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121260887 795608958 /nfs/dbraw/zinc/60/89/58/795608958.db2.gz KZFYLQYCTFYZPE-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121773105 795686011 /nfs/dbraw/zinc/68/60/11/795686011.db2.gz OBSAGWVXGZIZLJ-NYXDSXFPSA-N 2 1 319.493 2.167 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576545 795925168 /nfs/dbraw/zinc/92/51/68/795925168.db2.gz FXIQACKLGOWPDD-KGLIPLIRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(CC(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001123510992 795925335 /nfs/dbraw/zinc/92/53/35/795925335.db2.gz ZDPCFHDIWNBMLT-UHFFFAOYSA-N 2 1 302.422 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185445149 796258368 /nfs/dbraw/zinc/25/83/68/796258368.db2.gz FCDRTALXIGBFRQ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106926 796482999 /nfs/dbraw/zinc/48/29/99/796482999.db2.gz QVBAYOXPFPAPGN-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656943 797049814 /nfs/dbraw/zinc/04/98/14/797049814.db2.gz YEKUHEQUXMENRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656943 797049820 /nfs/dbraw/zinc/04/98/20/797049820.db2.gz YEKUHEQUXMENRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656943 797049825 /nfs/dbraw/zinc/04/98/25/797049825.db2.gz YEKUHEQUXMENRV-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001192293294 797355670 /nfs/dbraw/zinc/35/56/70/797355670.db2.gz HMHOGTQXOUWBBZ-GJZGRUSLSA-N 2 1 316.449 2.329 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193381948 797556120 /nfs/dbraw/zinc/55/61/20/797556120.db2.gz CLWINHGAMMNSHG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193381948 797556124 /nfs/dbraw/zinc/55/61/24/797556124.db2.gz CLWINHGAMMNSHG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193381948 797556126 /nfs/dbraw/zinc/55/61/26/797556126.db2.gz CLWINHGAMMNSHG-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196216092 798022349 /nfs/dbraw/zinc/02/23/49/798022349.db2.gz ZTOPACNRJFZUAT-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366862 798052685 /nfs/dbraw/zinc/05/26/85/798052685.db2.gz POBVRYCMYYQQKL-UHFFFAOYSA-N 2 1 316.449 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197455042 798196093 /nfs/dbraw/zinc/19/60/93/798196093.db2.gz XKFLRLHDQQYJGC-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197455042 798196094 /nfs/dbraw/zinc/19/60/94/798196094.db2.gz XKFLRLHDQQYJGC-UHFFFAOYSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198098487 798280161 /nfs/dbraw/zinc/28/01/61/798280161.db2.gz XPTCWQXAKHOTTQ-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098487 798280164 /nfs/dbraw/zinc/28/01/64/798280164.db2.gz XPTCWQXAKHOTTQ-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198098487 798280166 /nfs/dbraw/zinc/28/01/66/798280166.db2.gz XPTCWQXAKHOTTQ-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158082651 798339120 /nfs/dbraw/zinc/33/91/20/798339120.db2.gz HSRIPRZEOWYHEG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158082651 798339126 /nfs/dbraw/zinc/33/91/26/798339126.db2.gz HSRIPRZEOWYHEG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158082651 798339133 /nfs/dbraw/zinc/33/91/33/798339133.db2.gz HSRIPRZEOWYHEG-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385415 798398441 /nfs/dbraw/zinc/39/84/41/798398441.db2.gz HEVKULZKRGNDAT-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385415 798398447 /nfs/dbraw/zinc/39/84/47/798398447.db2.gz HEVKULZKRGNDAT-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385415 798398452 /nfs/dbraw/zinc/39/84/52/798398452.db2.gz HEVKULZKRGNDAT-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909137 798488505 /nfs/dbraw/zinc/48/85/05/798488505.db2.gz JPRDHRQLUYDFSP-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158914957 798488959 /nfs/dbraw/zinc/48/89/59/798488959.db2.gz WXQQPSJAWKDOEW-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(OCC)cc[nH+]1 ZINC001159925109 798626961 /nfs/dbraw/zinc/62/69/61/798626961.db2.gz AERDKQQGIOBRHB-AWEZNQCLSA-N 2 1 307.394 2.119 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200894920 798688422 /nfs/dbraw/zinc/68/84/22/798688422.db2.gz YYFQXNPKTQYPIS-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089024 798794586 /nfs/dbraw/zinc/79/45/86/798794586.db2.gz GILULYMZUZRPLH-INIZCTEOSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925266 798970019 /nfs/dbraw/zinc/97/00/19/798970019.db2.gz ZBZLLIDLCJLPQG-IYBDPMFKSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925266 798970024 /nfs/dbraw/zinc/97/00/24/798970024.db2.gz ZBZLLIDLCJLPQG-IYBDPMFKSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161925266 798970028 /nfs/dbraw/zinc/97/00/28/798970028.db2.gz ZBZLLIDLCJLPQG-IYBDPMFKSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095405201 799479577 /nfs/dbraw/zinc/47/95/77/799479577.db2.gz OOZWIGBSXYQNLY-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095405201 799479580 /nfs/dbraw/zinc/47/95/80/799479580.db2.gz OOZWIGBSXYQNLY-QZWWFDLISA-N 2 1 305.466 2.157 20 30 DEEDMP C[NH+](C)C1(CNc2cc(C#N)cc3[nH]ccc32)CC[NH+](C)CC1 ZINC001164216982 799542461 /nfs/dbraw/zinc/54/24/61/799542461.db2.gz OQTWUWUEVHUVAD-UHFFFAOYSA-N 2 1 311.433 2.477 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684585 799694175 /nfs/dbraw/zinc/69/41/75/799694175.db2.gz MPRMUQOCSDENLZ-IKGGRYGDSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485576 799737170 /nfs/dbraw/zinc/73/71/70/799737170.db2.gz ZFMVIRITIDDCSR-OAHLLOKOSA-N 2 1 316.449 2.213 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110942590 799784791 /nfs/dbraw/zinc/78/47/91/799784791.db2.gz UCFRIQIHWNNONE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110942590 799784793 /nfs/dbraw/zinc/78/47/93/799784793.db2.gz UCFRIQIHWNNONE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110942590 799784801 /nfs/dbraw/zinc/78/48/01/799784801.db2.gz UCFRIQIHWNNONE-AVEIZBFRSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979048 799806605 /nfs/dbraw/zinc/80/66/05/799806605.db2.gz OREICERMTKIVHY-HPBDAGMYSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018050 799832944 /nfs/dbraw/zinc/83/29/44/799832944.db2.gz HQTFDBBZRIVWED-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649319 800099883 /nfs/dbraw/zinc/09/98/83/800099883.db2.gz AJRCLHOOMXRZRH-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435033 800751287 /nfs/dbraw/zinc/75/12/87/800751287.db2.gz DRWNPNFITZXXAR-MSOLQXFVSA-N 2 1 308.466 2.060 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073430 800905699 /nfs/dbraw/zinc/90/56/99/800905699.db2.gz JPPOQODRLHWDCM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281753 800944772 /nfs/dbraw/zinc/94/47/72/800944772.db2.gz YXXNGWVGZMNIKK-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001208596619 801023988 /nfs/dbraw/zinc/02/39/88/801023988.db2.gz VUPOBOWSDCCCSF-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229172318 801237692 /nfs/dbraw/zinc/23/76/92/801237692.db2.gz XYSLPRKGJZNQDZ-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001211090246 801510827 /nfs/dbraw/zinc/51/08/27/801510827.db2.gz ILMYQBXFMJTYNB-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214856087 801767166 /nfs/dbraw/zinc/76/71/66/801767166.db2.gz XFOGJHWIXUPYCQ-BZUAXINKSA-N 2 1 316.449 2.163 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCC)C1 ZINC001214880726 801771396 /nfs/dbraw/zinc/77/13/96/801771396.db2.gz RLGSXOUQKZHACI-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCC)C1 ZINC001214880726 801771399 /nfs/dbraw/zinc/77/13/99/801771399.db2.gz RLGSXOUQKZHACI-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221794173 802615939 /nfs/dbraw/zinc/61/59/39/802615939.db2.gz VEANENBFWWFQQO-BRWVUGGUSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877807 802623778 /nfs/dbraw/zinc/62/37/78/802623778.db2.gz KHFIUXAPOBSNAW-KURKYZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968585 802630538 /nfs/dbraw/zinc/63/05/38/802630538.db2.gz SULUQUCACKAIKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968585 802630550 /nfs/dbraw/zinc/63/05/50/802630550.db2.gz SULUQUCACKAIKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968585 802630552 /nfs/dbraw/zinc/63/05/52/802630552.db2.gz SULUQUCACKAIKG-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001222050726 802636260 /nfs/dbraw/zinc/63/62/60/802636260.db2.gz DNLPFAOOSVMODT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050726 802636264 /nfs/dbraw/zinc/63/62/64/802636264.db2.gz DNLPFAOOSVMODT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001222050726 802636268 /nfs/dbraw/zinc/63/62/68/802636268.db2.gz DNLPFAOOSVMODT-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471957 802793176 /nfs/dbraw/zinc/79/31/76/802793176.db2.gz HWXJYWMKCPLVFK-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223494772 802795337 /nfs/dbraw/zinc/79/53/37/802795337.db2.gz ADJWWJPJJKUJKX-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225435956 802966024 /nfs/dbraw/zinc/96/60/24/802966024.db2.gz RHTSVLZVSOEAPB-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227093092 803199065 /nfs/dbraw/zinc/19/90/65/803199065.db2.gz ZZAAKWZQOCDLDD-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCC)CC1 ZINC001227849303 803288054 /nfs/dbraw/zinc/28/80/54/803288054.db2.gz OYHFWUDSBRCIGN-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCC)CC1 ZINC001227849303 803288059 /nfs/dbraw/zinc/28/80/59/803288059.db2.gz OYHFWUDSBRCIGN-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877272 803290150 /nfs/dbraw/zinc/29/01/50/803290150.db2.gz QFBGGCSJTFZOPZ-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877272 803290156 /nfs/dbraw/zinc/29/01/56/803290156.db2.gz QFBGGCSJTFZOPZ-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101988 1148721965 /nfs/dbraw/zinc/72/19/65/1148721965.db2.gz JUKYAGOLHWWNKR-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101988 1148721975 /nfs/dbraw/zinc/72/19/75/1148721975.db2.gz JUKYAGOLHWWNKR-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101988 1148721984 /nfs/dbraw/zinc/72/19/84/1148721984.db2.gz JUKYAGOLHWWNKR-INIZCTEOSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135519 1059982140 /nfs/dbraw/zinc/98/21/40/1059982140.db2.gz MBHCQDNYXLVYEZ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001502401695 1060109695 /nfs/dbraw/zinc/10/96/95/1060109695.db2.gz QOBPDJFSAVCVCH-SFHVURJKSA-N 2 1 321.509 2.301 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001502953288 1060409738 /nfs/dbraw/zinc/40/97/38/1060409738.db2.gz VLYDHACQSGWOIW-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953288 1060409752 /nfs/dbraw/zinc/40/97/52/1060409752.db2.gz VLYDHACQSGWOIW-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001502953288 1060409768 /nfs/dbraw/zinc/40/97/68/1060409768.db2.gz VLYDHACQSGWOIW-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001505409292 1060544921 /nfs/dbraw/zinc/54/49/21/1060544921.db2.gz TUWCVIZHEQXVBH-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001505442578 1060605064 /nfs/dbraw/zinc/60/50/64/1060605064.db2.gz ZCSOYQPWZNKKRW-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479415532 1061448331 /nfs/dbraw/zinc/44/83/31/1061448331.db2.gz DAHOTRISTFENAE-KBAYOESNSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001479690294 1061603236 /nfs/dbraw/zinc/60/32/36/1061603236.db2.gz ZWLKVGBOOUKCKI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001479737974 1061663968 /nfs/dbraw/zinc/66/39/68/1061663968.db2.gz RFMRSDMNFDCKMO-SJORKVTESA-N 2 1 316.449 2.170 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001480102112 1062330717 /nfs/dbraw/zinc/33/07/17/1062330717.db2.gz PGUTUQLGCGFHML-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001480102112 1062330744 /nfs/dbraw/zinc/33/07/44/1062330744.db2.gz PGUTUQLGCGFHML-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001480102112 1062330758 /nfs/dbraw/zinc/33/07/58/1062330758.db2.gz PGUTUQLGCGFHML-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCCC)C1 ZINC001480111804 1062339306 /nfs/dbraw/zinc/33/93/06/1062339306.db2.gz OLQAQEOBRMLFSR-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCCC)C1 ZINC001480111804 1062339328 /nfs/dbraw/zinc/33/93/28/1062339328.db2.gz OLQAQEOBRMLFSR-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001506928137 1062537934 /nfs/dbraw/zinc/53/79/34/1062537934.db2.gz LZAJKRZIJPEZOD-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001507163266 1062943843 /nfs/dbraw/zinc/94/38/43/1062943843.db2.gz UBQOROSCJPOZMD-NVXWUHKLSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480695634 1063201223 /nfs/dbraw/zinc/20/12/23/1063201223.db2.gz DAJGFXVHSAXNCT-HZPDHXFCSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480725490 1063251709 /nfs/dbraw/zinc/25/17/09/1063251709.db2.gz SNVJLJCEJOYPPG-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329140942 1148868424 /nfs/dbraw/zinc/86/84/24/1148868424.db2.gz ICQJFHYVZDIOHK-HNNXBMFYSA-N 2 1 314.433 2.208 20 30 DEEDMP C=CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001493009552 1063473393 /nfs/dbraw/zinc/47/33/93/1063473393.db2.gz DSAUWAXLHMOCNU-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001493009552 1063473399 /nfs/dbraw/zinc/47/33/99/1063473399.db2.gz DSAUWAXLHMOCNU-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001493859108 1063999157 /nfs/dbraw/zinc/99/91/57/1063999157.db2.gz MYEXQWXPHDVVEH-UHFFFAOYSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001493972047 1064052138 /nfs/dbraw/zinc/05/21/38/1064052138.db2.gz SGXMVPVMUQZQLV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001493972047 1064052147 /nfs/dbraw/zinc/05/21/47/1064052147.db2.gz SGXMVPVMUQZQLV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493972047 1064052162 /nfs/dbraw/zinc/05/21/62/1064052162.db2.gz SGXMVPVMUQZQLV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660102 1064325624 /nfs/dbraw/zinc/32/56/24/1064325624.db2.gz SYXORBPJIYUMGD-DLBZAZTESA-N 2 1 301.434 2.104 20 30 DEEDMP C=CCCCCC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001567801339 1064431206 /nfs/dbraw/zinc/43/12/06/1064431206.db2.gz DAYXFGIHPRYAFM-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001567942162 1064545268 /nfs/dbraw/zinc/54/52/68/1064545268.db2.gz LFMZYVXYXAZWGQ-IRXDYDNUSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001568094315 1064643519 /nfs/dbraw/zinc/64/35/19/1064643519.db2.gz YIJWUOOAKVPDCL-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001568240768 1064725013 /nfs/dbraw/zinc/72/50/13/1064725013.db2.gz RUFYQDJVRUNCQH-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495264204 1064793674 /nfs/dbraw/zinc/79/36/74/1064793674.db2.gz BJHFINWWCBYRPT-WMZOPIPTSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001568493368 1064908001 /nfs/dbraw/zinc/90/80/01/1064908001.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001568493368 1064908014 /nfs/dbraw/zinc/90/80/14/1064908014.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001568493368 1064908028 /nfs/dbraw/zinc/90/80/28/1064908028.db2.gz QYFUKKTZEDFBJP-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001620718834 1078167991 /nfs/dbraw/zinc/16/79/91/1078167991.db2.gz UMVOSAYDPSOFAV-UHFFFAOYSA-N 2 1 306.498 2.466 20 30 DEEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001569135706 1065312724 /nfs/dbraw/zinc/31/27/24/1065312724.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001569135706 1065312729 /nfs/dbraw/zinc/31/27/29/1065312729.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001569135706 1065312741 /nfs/dbraw/zinc/31/27/41/1065312741.db2.gz ZUGVHNVLKUCEDJ-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001569234741 1065384022 /nfs/dbraw/zinc/38/40/22/1065384022.db2.gz WWISVHGORBQTSU-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001496442814 1065471668 /nfs/dbraw/zinc/47/16/68/1065471668.db2.gz IBYJKXGDRWSTHQ-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001570045864 1065902095 /nfs/dbraw/zinc/90/20/95/1065902095.db2.gz UMMHMXTUEYPORB-KZNAEPCWSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001570348357 1066024616 /nfs/dbraw/zinc/02/46/16/1066024616.db2.gz DEDCAJGXYXHMRU-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001570465234 1066083882 /nfs/dbraw/zinc/08/38/82/1066083882.db2.gz NXCJAZHHQVASDS-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001628586152 1078299911 /nfs/dbraw/zinc/29/99/11/1078299911.db2.gz VOYOKLFJINWJOF-GDBMZVCRSA-N 2 1 321.490 2.365 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC001576809233 1066694439 /nfs/dbraw/zinc/69/44/39/1066694439.db2.gz QOGGAFSNTQJCFT-YOEHRIQHSA-N 2 1 323.444 2.375 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001499120904 1067107602 /nfs/dbraw/zinc/10/76/02/1067107602.db2.gz XRTXHPBXGJVWPA-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483366989 1078484786 /nfs/dbraw/zinc/48/47/86/1078484786.db2.gz AHUYBSPSVYONEM-MRXNPFEDSA-N 2 1 317.477 2.417 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001499835745 1067353440 /nfs/dbraw/zinc/35/34/40/1067353440.db2.gz PEFNDWCADDURPH-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267200504 1078660519 /nfs/dbraw/zinc/66/05/19/1078660519.db2.gz CSAOXTRZSYYHCD-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001570822878 1068129241 /nfs/dbraw/zinc/12/92/41/1068129241.db2.gz NBCUZQGURPXLJI-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822878 1068129248 /nfs/dbraw/zinc/12/92/48/1068129248.db2.gz NBCUZQGURPXLJI-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822878 1068129252 /nfs/dbraw/zinc/12/92/52/1068129252.db2.gz NBCUZQGURPXLJI-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001571518471 1068381729 /nfs/dbraw/zinc/38/17/29/1068381729.db2.gz FVUZYVQCDNMMSD-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001571518471 1068381744 /nfs/dbraw/zinc/38/17/44/1068381744.db2.gz FVUZYVQCDNMMSD-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001571518471 1068381764 /nfs/dbraw/zinc/38/17/64/1068381764.db2.gz FVUZYVQCDNMMSD-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267295257 1078742086 /nfs/dbraw/zinc/74/20/86/1078742086.db2.gz SILUXYVGXSXXGM-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267295257 1078742092 /nfs/dbraw/zinc/74/20/92/1078742092.db2.gz SILUXYVGXSXXGM-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267295257 1078742097 /nfs/dbraw/zinc/74/20/97/1078742097.db2.gz SILUXYVGXSXXGM-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698845 1078819353 /nfs/dbraw/zinc/81/93/53/1078819353.db2.gz XHOBGCOEERKJPA-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCCCC)C1 ZINC001267536116 1078966357 /nfs/dbraw/zinc/96/63/57/1078966357.db2.gz MPKCQHBIDOEESX-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCCCC)C1 ZINC001267536116 1078966361 /nfs/dbraw/zinc/96/63/61/1078966361.db2.gz MPKCQHBIDOEESX-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCCC)C1 ZINC001267536116 1078966365 /nfs/dbraw/zinc/96/63/65/1078966365.db2.gz MPKCQHBIDOEESX-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCCC)C1 ZINC001267536116 1078966369 /nfs/dbraw/zinc/96/63/69/1078966369.db2.gz MPKCQHBIDOEESX-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267537413 1078966739 /nfs/dbraw/zinc/96/67/39/1078966739.db2.gz IPTAWRVWVOKESN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267537413 1078966752 /nfs/dbraw/zinc/96/67/52/1078966752.db2.gz IPTAWRVWVOKESN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267537413 1078966763 /nfs/dbraw/zinc/96/67/63/1078966763.db2.gz IPTAWRVWVOKESN-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267568718 1079004313 /nfs/dbraw/zinc/00/43/13/1079004313.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267568718 1079004322 /nfs/dbraw/zinc/00/43/22/1079004322.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267568718 1079004332 /nfs/dbraw/zinc/00/43/32/1079004332.db2.gz XDAKXXYUEONHPT-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576593 1079060721 /nfs/dbraw/zinc/06/07/21/1079060721.db2.gz UEJHKCMKRPLCTL-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576593 1079060732 /nfs/dbraw/zinc/06/07/32/1079060732.db2.gz UEJHKCMKRPLCTL-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267588064 1079095464 /nfs/dbraw/zinc/09/54/64/1079095464.db2.gz FIDBLOQEASZEPJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267588064 1079095474 /nfs/dbraw/zinc/09/54/74/1079095474.db2.gz FIDBLOQEASZEPJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001267588064 1079095484 /nfs/dbraw/zinc/09/54/84/1079095484.db2.gz FIDBLOQEASZEPJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267590024 1079100357 /nfs/dbraw/zinc/10/03/57/1079100357.db2.gz ORVAXOUNLKSIFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590024 1079100365 /nfs/dbraw/zinc/10/03/65/1079100365.db2.gz ORVAXOUNLKSIFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267590024 1079100370 /nfs/dbraw/zinc/10/03/70/1079100370.db2.gz ORVAXOUNLKSIFZ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267595262 1079112213 /nfs/dbraw/zinc/11/22/13/1079112213.db2.gz GYLBERKVSBGWFQ-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001483863051 1079157562 /nfs/dbraw/zinc/15/75/62/1079157562.db2.gz KRGJOPATNHHIDB-WBVHZDCISA-N 2 1 307.482 2.357 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481118408 1079205968 /nfs/dbraw/zinc/20/59/68/1079205968.db2.gz HQDMATBOJGRKML-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118408 1079205973 /nfs/dbraw/zinc/20/59/73/1079205973.db2.gz HQDMATBOJGRKML-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118408 1079205980 /nfs/dbraw/zinc/20/59/80/1079205980.db2.gz HQDMATBOJGRKML-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001484107170 1079306698 /nfs/dbraw/zinc/30/66/98/1079306698.db2.gz JEUORDAWGIUVSF-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP CCCCCCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267646410 1079335588 /nfs/dbraw/zinc/33/55/88/1079335588.db2.gz CVTCMNTUMGXXMF-KRWDZBQOSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484160429 1079335090 /nfs/dbraw/zinc/33/50/90/1079335090.db2.gz FXIHHYQZQFRFQA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267657831 1079348325 /nfs/dbraw/zinc/34/83/25/1079348325.db2.gz FVFQUEDUBOGMGV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657831 1079348333 /nfs/dbraw/zinc/34/83/33/1079348333.db2.gz FVFQUEDUBOGMGV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657831 1079348336 /nfs/dbraw/zinc/34/83/36/1079348336.db2.gz FVFQUEDUBOGMGV-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001566016288 1075217163 /nfs/dbraw/zinc/21/71/63/1075217163.db2.gz IDTKQZDZFNWLKT-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1CC ZINC001566016288 1075217167 /nfs/dbraw/zinc/21/71/67/1075217167.db2.gz IDTKQZDZFNWLKT-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1CC ZINC001566016288 1075217172 /nfs/dbraw/zinc/21/71/72/1075217172.db2.gz IDTKQZDZFNWLKT-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001566016288 1075217175 /nfs/dbraw/zinc/21/71/75/1075217175.db2.gz IDTKQZDZFNWLKT-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001566594503 1075291857 /nfs/dbraw/zinc/29/18/57/1075291857.db2.gz SZDDEWPHYLDAIW-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566594503 1075291859 /nfs/dbraw/zinc/29/18/59/1075291859.db2.gz SZDDEWPHYLDAIW-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001566594503 1075291863 /nfs/dbraw/zinc/29/18/63/1075291863.db2.gz SZDDEWPHYLDAIW-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001566594503 1075291866 /nfs/dbraw/zinc/29/18/66/1075291866.db2.gz SZDDEWPHYLDAIW-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001566598749 1075293397 /nfs/dbraw/zinc/29/33/97/1075293397.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001566598749 1075293398 /nfs/dbraw/zinc/29/33/98/1075293398.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001566598749 1075293401 /nfs/dbraw/zinc/29/34/01/1075293401.db2.gz ZLRWCPYKMSDGTF-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001566615332 1075297060 /nfs/dbraw/zinc/29/70/60/1075297060.db2.gz LEMMIEQUSVUIBA-SFHVURJKSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001566790786 1075345282 /nfs/dbraw/zinc/34/52/82/1075345282.db2.gz YCHCOJBQUREPRH-QAETUUGQSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566898635 1075377671 /nfs/dbraw/zinc/37/76/71/1075377671.db2.gz FNQXTCDAMMFOIF-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001567116303 1075435904 /nfs/dbraw/zinc/43/59/04/1075435904.db2.gz MXXJZEKXHPQUIT-IRXDYDNUSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001567126648 1075438316 /nfs/dbraw/zinc/43/83/16/1075438316.db2.gz AZUAUAPTLVMDOR-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001567218351 1075466531 /nfs/dbraw/zinc/46/65/31/1075466531.db2.gz IGTLLAIRUMOBDO-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001567218351 1075466535 /nfs/dbraw/zinc/46/65/35/1075466535.db2.gz IGTLLAIRUMOBDO-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567231016 1075468771 /nfs/dbraw/zinc/46/87/71/1075468771.db2.gz XLUSHRXRPLENDQ-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267739375 1079433043 /nfs/dbraw/zinc/43/30/43/1079433043.db2.gz CCNMCTWVXWIYJI-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267758992 1079461061 /nfs/dbraw/zinc/46/10/61/1079461061.db2.gz VAEOXJSYUOQWEW-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CCC)CCCC[C@@H]1C ZINC001267873797 1079559593 /nfs/dbraw/zinc/55/95/93/1079559593.db2.gz LTOHRASKNJOXHX-FUHWJXTLSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267948219 1079627341 /nfs/dbraw/zinc/62/73/41/1079627341.db2.gz WDAQBWPHBSUFRH-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001484569384 1079667303 /nfs/dbraw/zinc/66/73/03/1079667303.db2.gz CJPMLJJXNXEHIP-KZNAEPCWSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484815110 1079807512 /nfs/dbraw/zinc/80/75/12/1079807512.db2.gz XKZXGESTYMAWER-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485068663 1079945407 /nfs/dbraw/zinc/94/54/07/1079945407.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485068663 1079945410 /nfs/dbraw/zinc/94/54/10/1079945410.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485068663 1079945418 /nfs/dbraw/zinc/94/54/18/1079945418.db2.gz GKHPDBBASORVRJ-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268106517 1080077374 /nfs/dbraw/zinc/07/73/74/1080077374.db2.gz UTFBLYFOHFZLEF-SJORKVTESA-N 2 1 307.482 2.003 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485238565 1080089382 /nfs/dbraw/zinc/08/93/82/1080089382.db2.gz FXYSKHMOPIEHFV-RDHHWEPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001268124222 1080091716 /nfs/dbraw/zinc/09/17/16/1080091716.db2.gz RROXTUPRFWXZQI-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001656727592 1080119079 /nfs/dbraw/zinc/11/90/79/1080119079.db2.gz NFNWXHIJSCBTLF-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001268201850 1080186968 /nfs/dbraw/zinc/18/69/68/1080186968.db2.gz ZTBQTBBOPDBCKY-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001268201850 1080186970 /nfs/dbraw/zinc/18/69/70/1080186970.db2.gz ZTBQTBBOPDBCKY-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001268201850 1080186973 /nfs/dbraw/zinc/18/69/73/1080186973.db2.gz ZTBQTBBOPDBCKY-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253022 1080232533 /nfs/dbraw/zinc/23/25/33/1080232533.db2.gz IOOKMJGDOFEQTN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253022 1080232538 /nfs/dbraw/zinc/23/25/38/1080232538.db2.gz IOOKMJGDOFEQTN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253022 1080232546 /nfs/dbraw/zinc/23/25/46/1080232546.db2.gz IOOKMJGDOFEQTN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001485789237 1080434696 /nfs/dbraw/zinc/43/46/96/1080434696.db2.gz BJQPPKKRIKLPLN-DOTOQJQBSA-N 2 1 318.465 2.060 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481753355 1080441050 /nfs/dbraw/zinc/44/10/50/1080441050.db2.gz SVYNURZWHOJDEC-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)CCC)CC1 ZINC001661097874 1080441176 /nfs/dbraw/zinc/44/11/76/1080441176.db2.gz ZJZHUCOAGSGNHW-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCOc1cccc(C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC001661140737 1080446143 /nfs/dbraw/zinc/44/61/43/1080446143.db2.gz JMHAVMSOFBKZLS-UHFFFAOYSA-N 2 1 304.434 2.452 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556193 1080494597 /nfs/dbraw/zinc/49/45/97/1080494597.db2.gz QUEQCOFZAHTFFB-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717352 1080494755 /nfs/dbraw/zinc/49/47/55/1080494755.db2.gz SMCODVVPCNVHBT-SFHVURJKSA-N 2 1 305.466 2.115 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+]2CCC[NH+]2CCCCC2)C1=O ZINC001272717352 1080494756 /nfs/dbraw/zinc/49/47/56/1080494756.db2.gz SMCODVVPCNVHBT-SFHVURJKSA-N 2 1 305.466 2.115 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458210 1080523250 /nfs/dbraw/zinc/52/32/50/1080523250.db2.gz HFDRCUFZPRVERL-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001662142305 1080573943 /nfs/dbraw/zinc/57/39/43/1080573943.db2.gz NQTJOKUNLLDRFP-ABHNRTSZSA-N 2 1 315.461 2.492 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664754421 1080956027 /nfs/dbraw/zinc/95/60/27/1080956027.db2.gz CBKINIWEDLQZJE-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001665928117 1081098457 /nfs/dbraw/zinc/09/84/57/1081098457.db2.gz CXDPBSHGCLJQMS-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001665928115 1081098506 /nfs/dbraw/zinc/09/85/06/1081098506.db2.gz CXDPBSHGCLJQMS-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1CC1 ZINC001269085655 1081110986 /nfs/dbraw/zinc/11/09/86/1081110986.db2.gz WSHHBBZDICENGQ-KRWDZBQOSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001666054814 1081116441 /nfs/dbraw/zinc/11/64/41/1081116441.db2.gz FNQMFSYDKDYTOU-YJBOKZPZSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001666927372 1081193778 /nfs/dbraw/zinc/19/37/78/1081193778.db2.gz IZQZGBGYDFLUEU-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1=CCCCC1 ZINC001666927372 1081193780 /nfs/dbraw/zinc/19/37/80/1081193780.db2.gz IZQZGBGYDFLUEU-AEFFLSMTSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001667584858 1081266436 /nfs/dbraw/zinc/26/64/36/1081266436.db2.gz IFOYWOCAODMSMT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584858 1081266440 /nfs/dbraw/zinc/26/64/40/1081266440.db2.gz IFOYWOCAODMSMT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584858 1081266444 /nfs/dbraw/zinc/26/64/44/1081266444.db2.gz IFOYWOCAODMSMT-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001668431026 1081354081 /nfs/dbraw/zinc/35/40/81/1081354081.db2.gz ONSAZPUTTRPPOB-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001482242979 1081365611 /nfs/dbraw/zinc/36/56/11/1081365611.db2.gz BLQALEMUHOYDOR-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269838807 1081378744 /nfs/dbraw/zinc/37/87/44/1081378744.db2.gz QVHRJOVPDOLEDD-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001269864482 1081385862 /nfs/dbraw/zinc/38/58/62/1081385862.db2.gz BSLHIHQOVCEXKE-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001269870971 1081387001 /nfs/dbraw/zinc/38/70/01/1081387001.db2.gz ICVVNOUWQIXOBN-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001668994905 1081417259 /nfs/dbraw/zinc/41/72/59/1081417259.db2.gz CUMKIFNLEIRDFT-DVBCCOPCSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001270066424 1081441460 /nfs/dbraw/zinc/44/14/60/1081441460.db2.gz KFQPWINDAMKORB-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001669811663 1081471411 /nfs/dbraw/zinc/47/14/11/1081471411.db2.gz PDMOIPGKKMQZKW-CABCVRRESA-N 2 1 306.454 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001669811663 1081471416 /nfs/dbraw/zinc/47/14/16/1081471416.db2.gz PDMOIPGKKMQZKW-CABCVRRESA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001671530185 1081521463 /nfs/dbraw/zinc/52/14/63/1081521463.db2.gz HFXFUBRGLHJZTA-DJIMGWMZSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517584 1081541939 /nfs/dbraw/zinc/54/19/39/1081541939.db2.gz RDTMUDKZUGDFHL-ZBFHGGJFSA-N 2 1 318.465 2.062 20 30 DEEDMP C=C(C)CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001673625178 1081786295 /nfs/dbraw/zinc/78/62/95/1081786295.db2.gz LWBSGFHFCLULAQ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001673878135 1081806420 /nfs/dbraw/zinc/80/64/20/1081806420.db2.gz NIWQNMGNYFCNDH-DOTOQJQBSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673934096 1081816948 /nfs/dbraw/zinc/81/69/48/1081816948.db2.gz SVAVPVZTCHPFEP-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673934096 1081816958 /nfs/dbraw/zinc/81/69/58/1081816958.db2.gz SVAVPVZTCHPFEP-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001674343513 1081862230 /nfs/dbraw/zinc/86/22/30/1081862230.db2.gz VKDTWTKCURUPJF-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001674343513 1081862236 /nfs/dbraw/zinc/86/22/36/1081862236.db2.gz VKDTWTKCURUPJF-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001674343513 1081862241 /nfs/dbraw/zinc/86/22/41/1081862241.db2.gz VKDTWTKCURUPJF-NVXWUHKLSA-N 2 1 307.482 2.073 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001674393046 1081866488 /nfs/dbraw/zinc/86/64/88/1081866488.db2.gz LKLSCYARBOQCAJ-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001271891155 1082182112 /nfs/dbraw/zinc/18/21/12/1082182112.db2.gz GYYXYVFNHMOILG-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564603 1082201080 /nfs/dbraw/zinc/20/10/80/1082201080.db2.gz SXMIJNXNUBGUAR-NVXWUHKLSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766642 1082331096 /nfs/dbraw/zinc/33/10/96/1082331096.db2.gz IADUIVYDROQCTG-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272046682 1082332089 /nfs/dbraw/zinc/33/20/89/1082332089.db2.gz YROMLMOGFQTGOA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046682 1082332095 /nfs/dbraw/zinc/33/20/95/1082332095.db2.gz YROMLMOGFQTGOA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046682 1082332100 /nfs/dbraw/zinc/33/21/00/1082332100.db2.gz YROMLMOGFQTGOA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266770285 1082332339 /nfs/dbraw/zinc/33/23/39/1082332339.db2.gz SKGWBHYVOIXBFX-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107454759 1083407203 /nfs/dbraw/zinc/40/72/03/1083407203.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454759 1083407206 /nfs/dbraw/zinc/40/72/06/1083407206.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454759 1083407209 /nfs/dbraw/zinc/40/72/09/1083407209.db2.gz LZSLSGFORMXBGC-VQIMIIECSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613887 1083520133 /nfs/dbraw/zinc/52/01/33/1083520133.db2.gz DNPIVSRGNRXHEH-IEBWSBKVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107629388 1083537109 /nfs/dbraw/zinc/53/71/09/1083537109.db2.gz CXJDWKQJKCWPTI-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107629388 1083537123 /nfs/dbraw/zinc/53/71/23/1083537123.db2.gz CXJDWKQJKCWPTI-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107629388 1083537136 /nfs/dbraw/zinc/53/71/36/1083537136.db2.gz CXJDWKQJKCWPTI-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643654 1083554734 /nfs/dbraw/zinc/55/47/34/1083554734.db2.gz PSUBKUBDCZQZKF-IEBWSBKVSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001277274345 1083886136 /nfs/dbraw/zinc/88/61/36/1083886136.db2.gz KTQBFOCGWFWSPE-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001277273388 1083888168 /nfs/dbraw/zinc/88/81/68/1083888168.db2.gz DTQLRHBPOYCEMJ-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001277393256 1083942790 /nfs/dbraw/zinc/94/27/90/1083942790.db2.gz HWSCEJCWUMUYIA-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001491026526 1084023013 /nfs/dbraw/zinc/02/30/13/1084023013.db2.gz ONAVZNWPQIBXFV-AIJFHESESA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC/C=C\CCC)C1 ZINC001491026526 1084023022 /nfs/dbraw/zinc/02/30/22/1084023022.db2.gz ONAVZNWPQIBXFV-AIJFHESESA-N 2 1 317.477 2.067 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235321380 1084385485 /nfs/dbraw/zinc/38/54/85/1084385485.db2.gz UTWJVNDNMCTRQJ-HOTGVXAUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870636 1084400908 /nfs/dbraw/zinc/40/09/08/1084400908.db2.gz RRSKVIRQIBQOPM-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001272870636 1084400912 /nfs/dbraw/zinc/40/09/12/1084400912.db2.gz RRSKVIRQIBQOPM-GOSISDBHSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001235631526 1084480794 /nfs/dbraw/zinc/48/07/94/1084480794.db2.gz AGROFNTXAXWEKS-IRXDYDNUSA-N 2 1 316.449 2.026 20 30 DEEDMP C=CCCCCCC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236022614 1084592037 /nfs/dbraw/zinc/59/20/37/1084592037.db2.gz LPHYJJGWWMOSIF-NTDBWNAOSA-N 2 1 320.477 2.453 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726794 1084832138 /nfs/dbraw/zinc/83/21/38/1084832138.db2.gz XZNRLONQDIGKKJ-HZPDHXFCSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960286023 1085182811 /nfs/dbraw/zinc/18/28/11/1085182811.db2.gz DMTZZOREZRONHA-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960286023 1085182825 /nfs/dbraw/zinc/18/28/25/1085182825.db2.gz DMTZZOREZRONHA-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960286023 1085182831 /nfs/dbraw/zinc/18/28/31/1085182831.db2.gz DMTZZOREZRONHA-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486411997 1085281544 /nfs/dbraw/zinc/28/15/44/1085281544.db2.gz UIBFVXMZMMGZOK-CVEARBPZSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350503 1085701319 /nfs/dbraw/zinc/70/13/19/1085701319.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961350503 1085701327 /nfs/dbraw/zinc/70/13/27/1085701327.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000961350503 1085701333 /nfs/dbraw/zinc/70/13/33/1085701333.db2.gz XJNAFPAPLVDGFV-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273038586 1086061845 /nfs/dbraw/zinc/06/18/45/1086061845.db2.gz FWLMUHWUGAYQGV-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338290 1086413826 /nfs/dbraw/zinc/41/38/26/1086413826.db2.gz VEALBHAFZMQMLS-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963338290 1086413832 /nfs/dbraw/zinc/41/38/32/1086413832.db2.gz VEALBHAFZMQMLS-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143513 1086681299 /nfs/dbraw/zinc/68/12/99/1086681299.db2.gz HZBIXAWDTHFCLJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501376 1088178762 /nfs/dbraw/zinc/17/87/62/1088178762.db2.gz AOJBNAYGOQXBAY-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501376 1088178775 /nfs/dbraw/zinc/17/87/75/1088178775.db2.gz AOJBNAYGOQXBAY-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501376 1088178784 /nfs/dbraw/zinc/17/87/84/1088178784.db2.gz AOJBNAYGOQXBAY-FVQHAEBGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001114502064 1088180207 /nfs/dbraw/zinc/18/02/07/1088180207.db2.gz NFEAHQPLXHTEOF-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502064 1088180211 /nfs/dbraw/zinc/18/02/11/1088180211.db2.gz NFEAHQPLXHTEOF-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502064 1088180220 /nfs/dbraw/zinc/18/02/20/1088180220.db2.gz NFEAHQPLXHTEOF-XWTMOSNGSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079849212 1088472406 /nfs/dbraw/zinc/47/24/06/1088472406.db2.gz QISVJFZGDLHKCB-DJIMGWMZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079849212 1088472416 /nfs/dbraw/zinc/47/24/16/1088472416.db2.gz QISVJFZGDLHKCB-DJIMGWMZSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079849212 1088472424 /nfs/dbraw/zinc/47/24/24/1088472424.db2.gz QISVJFZGDLHKCB-DJIMGWMZSA-N 2 1 305.466 2.016 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001080756308 1089173802 /nfs/dbraw/zinc/17/38/02/1089173802.db2.gz PKIYLUBMKHHTJN-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080756308 1089173814 /nfs/dbraw/zinc/17/38/14/1089173814.db2.gz PKIYLUBMKHHTJN-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080756308 1089173824 /nfs/dbraw/zinc/17/38/24/1089173824.db2.gz PKIYLUBMKHHTJN-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080756308 1089173835 /nfs/dbraw/zinc/17/38/35/1089173835.db2.gz PKIYLUBMKHHTJN-KURKYZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559490 1090006206 /nfs/dbraw/zinc/00/62/06/1090006206.db2.gz GVFXIDXVRDOSNT-DJIMGWMZSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001274228067 1091132081 /nfs/dbraw/zinc/13/20/81/1091132081.db2.gz FGLIGMZCDKNOLL-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001274623876 1091334722 /nfs/dbraw/zinc/33/47/22/1091334722.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 1 304.438 2.278 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001274623876 1091334732 /nfs/dbraw/zinc/33/47/32/1091334732.db2.gz NRTUZSIRNOBEKD-LSDHHAIUSA-N 2 1 304.438 2.278 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183583 1091605080 /nfs/dbraw/zinc/60/50/80/1091605080.db2.gz GTSJKYCLQDRNPU-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001273445294 1091768671 /nfs/dbraw/zinc/76/86/71/1091768671.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445294 1091768680 /nfs/dbraw/zinc/76/86/80/1091768680.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001273445294 1091768688 /nfs/dbraw/zinc/76/86/88/1091768688.db2.gz LJOAXWURTIISFX-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CN1CC2(CCC1=O)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273828100 1092230023 /nfs/dbraw/zinc/23/00/23/1092230023.db2.gz YLZVXTPDZHFYNP-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490586585 1093432726 /nfs/dbraw/zinc/43/27/26/1093432726.db2.gz HUNYVQRIUKCMLN-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCCCCC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399861 1138358354 /nfs/dbraw/zinc/35/83/54/1138358354.db2.gz RIHCNPXSRMHAFR-UHFFFAOYSA-N 2 1 323.525 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278268685 1138871909 /nfs/dbraw/zinc/87/19/09/1138871909.db2.gz XQBMGTXFMVNSBU-SJORKVTESA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491604052 1140244118 /nfs/dbraw/zinc/24/41/18/1140244118.db2.gz XUEFPGWVRHALAW-ZIAGYGMSSA-N 2 1 301.862 2.096 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491817770 1140318373 /nfs/dbraw/zinc/31/83/73/1140318373.db2.gz VQVFJNPHVNTOPW-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318782883 1140414639 /nfs/dbraw/zinc/41/46/39/1140414639.db2.gz ZHNXSWIJHZSIKA-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889346 1140536283 /nfs/dbraw/zinc/53/62/83/1140536283.db2.gz NWGUNBCDOFBIHJ-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC(C)(C)O1 ZINC001246004913 1140845178 /nfs/dbraw/zinc/84/51/78/1140845178.db2.gz JOOVGZJHWDEHOV-HOTGVXAUSA-N 2 1 300.487 2.455 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CC[NH2+]C[C@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001246198225 1140872349 /nfs/dbraw/zinc/87/23/49/1140872349.db2.gz DTOZTAMZUFNMKL-OZSLIKBDSA-N 2 1 306.450 2.252 20 30 DEEDMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320827084 1140940754 /nfs/dbraw/zinc/94/07/54/1140940754.db2.gz SDSVPPDFFJVCTM-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246709182 1141040557 /nfs/dbraw/zinc/04/05/57/1141040557.db2.gz SIQNPVWSSXOJRL-LZLYRXPVSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709185 1141040768 /nfs/dbraw/zinc/04/07/68/1141040768.db2.gz SIQNPVWSSXOJRL-RYRKJORJSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278466522 1141065149 /nfs/dbraw/zinc/06/51/49/1141065149.db2.gz JBTFBSCJFKTAPZ-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001278466522 1141065160 /nfs/dbraw/zinc/06/51/60/1141065160.db2.gz JBTFBSCJFKTAPZ-WMZOPIPTSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321850524 1141355134 /nfs/dbraw/zinc/35/51/34/1141355134.db2.gz ZRAXHAOWNPKORP-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001278495853 1141646325 /nfs/dbraw/zinc/64/63/25/1141646325.db2.gz WLOCNCWWNXEDAQ-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001323358077 1141845526 /nfs/dbraw/zinc/84/55/26/1141845526.db2.gz RFAFPCBWSZLSBI-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001323873580 1141895120 /nfs/dbraw/zinc/89/51/20/1141895120.db2.gz POYOPIQVKSWQMN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001323873580 1141895123 /nfs/dbraw/zinc/89/51/23/1141895123.db2.gz POYOPIQVKSWQMN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001323873580 1141895125 /nfs/dbraw/zinc/89/51/25/1141895125.db2.gz POYOPIQVKSWQMN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001323980896 1141940763 /nfs/dbraw/zinc/94/07/63/1141940763.db2.gz HTPMVIROHJFZHK-OAHLLOKOSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324470897 1142084106 /nfs/dbraw/zinc/08/41/06/1142084106.db2.gz TXWAOXADEZVQBL-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650078 1143297668 /nfs/dbraw/zinc/29/76/68/1143297668.db2.gz SJOANCDHSCENJO-MKXGPGLRSA-N 2 1 313.445 2.151 20 30 DEEDMP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC001254650078 1143297689 /nfs/dbraw/zinc/29/76/89/1143297689.db2.gz SJOANCDHSCENJO-MKXGPGLRSA-N 2 1 313.445 2.151 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001278911775 1143830424 /nfs/dbraw/zinc/83/04/24/1143830424.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001278911775 1143830425 /nfs/dbraw/zinc/83/04/25/1143830425.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001278911775 1143830426 /nfs/dbraw/zinc/83/04/26/1143830426.db2.gz DYGPGFRQQOZFJD-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001263835141 1144406693 /nfs/dbraw/zinc/40/66/93/1144406693.db2.gz HNRJXIDYMLGOAB-IXDOHACOSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC(C)(C)C1 ZINC001264196616 1144506040 /nfs/dbraw/zinc/50/60/40/1144506040.db2.gz HODTYDDFEWIOMO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001264196616 1144506046 /nfs/dbraw/zinc/50/60/46/1144506046.db2.gz HODTYDDFEWIOMO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001264196616 1144506052 /nfs/dbraw/zinc/50/60/52/1144506052.db2.gz HODTYDDFEWIOMO-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001264618926 1144579402 /nfs/dbraw/zinc/57/94/02/1144579402.db2.gz ZFTRSVLGVLUYJT-BBWFWOEESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598409 /nfs/dbraw/zinc/59/84/09/1144598409.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598412 /nfs/dbraw/zinc/59/84/12/1144598412.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001264709377 1144598420 /nfs/dbraw/zinc/59/84/20/1144598420.db2.gz SEAXWFGTTOBLAC-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]cn1 ZINC001279567852 1144824821 /nfs/dbraw/zinc/82/48/21/1144824821.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567852 1144824822 /nfs/dbraw/zinc/82/48/22/1144824822.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1cnc[nH]1 ZINC001279567852 1144824823 /nfs/dbraw/zinc/82/48/23/1144824823.db2.gz ZVAOTSGXRMBQTC-IAGOWNOFSA-N 2 1 316.449 2.374 20 30 DEEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281496994 1144893197 /nfs/dbraw/zinc/89/31/97/1144893197.db2.gz DBJBKCJXPIPLLT-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC/C=C\CC)CC1 ZINC001282497414 1145079884 /nfs/dbraw/zinc/07/98/84/1145079884.db2.gz OFSORSUHFUMLFH-QWPQOLDESA-N 2 1 319.493 2.124 20 30 DEEDMP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001282693788 1145129643 /nfs/dbraw/zinc/12/96/43/1145129643.db2.gz RICGLEWQFVQNKJ-NVXWUHKLSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282716230 1145142092 /nfs/dbraw/zinc/14/20/92/1145142092.db2.gz HZRGHWSYYDIYIA-CABCVRRESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001283317230 1145358703 /nfs/dbraw/zinc/35/87/03/1145358703.db2.gz NOZMKYATFILVJS-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001283317230 1145358712 /nfs/dbraw/zinc/35/87/12/1145358712.db2.gz NOZMKYATFILVJS-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001316633781 1145880652 /nfs/dbraw/zinc/88/06/52/1145880652.db2.gz RTRXZMUSTMXTBQ-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001491934472 1147006066 /nfs/dbraw/zinc/00/60/66/1147006066.db2.gz KMDBYGZAHFMQMD-KRWDZBQOSA-N 2 1 324.428 2.202 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492164979 1147109232 /nfs/dbraw/zinc/10/92/32/1147109232.db2.gz KNTFLJDXYSPPFZ-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001316755246 1147593964 /nfs/dbraw/zinc/59/39/64/1147593964.db2.gz WLKMEZRHUNDEGK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001316755246 1147593966 /nfs/dbraw/zinc/59/39/66/1147593966.db2.gz WLKMEZRHUNDEGK-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044339 1147652343 /nfs/dbraw/zinc/65/23/43/1147652343.db2.gz QOUGQWRATMOALI-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317173658 1147670737 /nfs/dbraw/zinc/67/07/37/1147670737.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317173658 1147670739 /nfs/dbraw/zinc/67/07/39/1147670739.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317173658 1147670740 /nfs/dbraw/zinc/67/07/40/1147670740.db2.gz PWGNMICSBSGMJY-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001317226794 1147679469 /nfs/dbraw/zinc/67/94/69/1147679469.db2.gz OOIAYONSMZCOFJ-ABHNRTSZSA-N 2 1 319.493 2.290 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317345436 1147693800 /nfs/dbraw/zinc/69/38/00/1147693800.db2.gz ALEUQFXGLXNPOG-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317367332 1147696862 /nfs/dbraw/zinc/69/68/62/1147696862.db2.gz ZRIGFPGDUJXFJZ-QZTJIDSGSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317367332 1147696863 /nfs/dbraw/zinc/69/68/63/1147696863.db2.gz ZRIGFPGDUJXFJZ-QZTJIDSGSA-N 2 1 315.461 2.321 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317383909 1147700173 /nfs/dbraw/zinc/70/01/73/1147700173.db2.gz IPMIJACBIQZHFA-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCCC ZINC001317424438 1147705288 /nfs/dbraw/zinc/70/52/88/1147705288.db2.gz QNWYACJKWZHQKQ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCCC ZINC001317424438 1147705290 /nfs/dbraw/zinc/70/52/90/1147705290.db2.gz QNWYACJKWZHQKQ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC ZINC001317424438 1147705291 /nfs/dbraw/zinc/70/52/91/1147705291.db2.gz QNWYACJKWZHQKQ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC ZINC001317424438 1147705293 /nfs/dbraw/zinc/70/52/93/1147705293.db2.gz QNWYACJKWZHQKQ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC001317723396 1147747395 /nfs/dbraw/zinc/74/73/95/1147747395.db2.gz GNHOHVSAXHGBFG-AEFFLSMTSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001325771707 1147997441 /nfs/dbraw/zinc/99/74/41/1147997441.db2.gz ABRQQHPLNGDYGG-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000047977305 354337009 /nfs/dbraw/zinc/33/70/09/354337009.db2.gz DJDCYFXTWHSJBM-SFHVURJKSA-N 2 1 322.497 2.095 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180173170 199127014 /nfs/dbraw/zinc/12/70/14/199127014.db2.gz BBYAGQILTJXNJL-AYHJJNSGSA-N 2 1 313.445 2.074 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180173170 199127016 /nfs/dbraw/zinc/12/70/16/199127016.db2.gz BBYAGQILTJXNJL-AYHJJNSGSA-N 2 1 313.445 2.074 20 30 DEEDMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592312 359252883 /nfs/dbraw/zinc/25/28/83/359252883.db2.gz JHYXMVXCPHTTCA-HZPDHXFCSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)[nH+]1 ZINC000598592312 359252887 /nfs/dbraw/zinc/25/28/87/359252887.db2.gz JHYXMVXCPHTTCA-HZPDHXFCSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000443978511 238133582 /nfs/dbraw/zinc/13/35/82/238133582.db2.gz HVRKRRWIERWFKE-GOSISDBHSA-N 2 1 301.434 2.193 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247777484 402575523 /nfs/dbraw/zinc/57/55/23/402575523.db2.gz RASMFLQOEFRPFQ-HOTGVXAUSA-N 2 1 322.497 2.056 20 30 DEEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccccc1 ZINC000272892343 402961638 /nfs/dbraw/zinc/96/16/38/402961638.db2.gz IYIAIVRQZFRUSL-SFHVURJKSA-N 2 1 324.428 2.180 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(F)cccc1SC ZINC000285161809 403278856 /nfs/dbraw/zinc/27/88/56/403278856.db2.gz SOJSLLFPXJZBEC-GFCCVEGCSA-N 2 1 324.469 2.436 20 30 DEEDMP C#CCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285895358 403405255 /nfs/dbraw/zinc/40/52/55/403405255.db2.gz KCUTYNAAWWFSHA-HXUWFJFHSA-N 2 1 311.473 2.292 20 30 DEEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)CC[NH+](C)C ZINC000344078867 403894016 /nfs/dbraw/zinc/89/40/16/403894016.db2.gz XRDXIYXGCMWJBZ-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP C[NH+]1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000341363530 403931189 /nfs/dbraw/zinc/93/11/89/403931189.db2.gz IFCYLMMVCCCMTN-UHFFFAOYSA-N 2 1 314.433 2.327 20 30 DEEDMP C[C@H]1CSCC[N@@H+](CC#CC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000342127194 404384586 /nfs/dbraw/zinc/38/45/86/404384586.db2.gz LRIPNMMJESEFSO-IYBDPMFKSA-N 2 1 312.548 2.360 20 30 DEEDMP C[C@H]1CSCC[NH+](CC#CC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000342127194 404384591 /nfs/dbraw/zinc/38/45/91/404384591.db2.gz LRIPNMMJESEFSO-IYBDPMFKSA-N 2 1 312.548 2.360 20 30 DEEDMP C[C@H]1CSCC[NH+](CC#CC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000342127194 404384593 /nfs/dbraw/zinc/38/45/93/404384593.db2.gz LRIPNMMJESEFSO-IYBDPMFKSA-N 2 1 312.548 2.360 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172702 404700267 /nfs/dbraw/zinc/70/02/67/404700267.db2.gz GHWQJUNIRYBCPY-QGZVFWFLSA-N 2 1 319.493 2.383 20 30 DEEDMP C=CC[C@@H]1[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1(C)C ZINC000414760258 404726699 /nfs/dbraw/zinc/72/66/99/404726699.db2.gz QDGAUTAKXWCVIY-HOTGVXAUSA-N 2 1 307.482 2.250 20 30 DEEDMP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000535207360 406215497 /nfs/dbraw/zinc/21/54/97/406215497.db2.gz RMIUZPYJYUSGSU-CQSZACIVSA-N 2 1 324.384 2.448 20 30 DEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C#N ZINC000535207360 406215503 /nfs/dbraw/zinc/21/55/03/406215503.db2.gz RMIUZPYJYUSGSU-CQSZACIVSA-N 2 1 324.384 2.448 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000491568258 406626158 /nfs/dbraw/zinc/62/61/58/406626158.db2.gz PVCCGKKRXMQEHC-QGZVFWFLSA-N 2 1 300.402 2.003 20 30 DEEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)Nc1cccc2c1CCCC2 ZINC000267324835 225355767 /nfs/dbraw/zinc/35/57/67/225355767.db2.gz QCPRMNBEQDWMST-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699752 227056880 /nfs/dbraw/zinc/05/68/80/227056880.db2.gz MGEGHMDWSSMAAX-DLBZAZTESA-N 2 1 306.498 2.274 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655765141 425648458 /nfs/dbraw/zinc/64/84/58/425648458.db2.gz ZLYVSRJVMFSXNC-NXHRZFHOSA-N 2 1 308.466 2.201 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662663005 425705759 /nfs/dbraw/zinc/70/57/59/425705759.db2.gz BPPSARUQZOLWKT-PKOBYXMFSA-N 2 1 313.445 2.075 20 30 DEEDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C#N)cc1 ZINC000181705053 278344706 /nfs/dbraw/zinc/34/47/06/278344706.db2.gz WWDAYUMRAJSODW-MRXNPFEDSA-N 2 1 300.450 2.236 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(CC)c2)CC1 ZINC000583376658 332373162 /nfs/dbraw/zinc/37/31/62/332373162.db2.gz YZCYPMGSIPINHX-GOSISDBHSA-N 2 1 318.461 2.229 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001378419604 1152322983 /nfs/dbraw/zinc/32/29/83/1152322983.db2.gz YJXKKCCHARTXSE-GOEBONIOSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001369548290 1149034958 /nfs/dbraw/zinc/03/49/58/1149034958.db2.gz BSOONIQWYJIYQZ-CYBMUJFWSA-N 2 1 312.845 2.065 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947048 526393135 /nfs/dbraw/zinc/39/31/35/526393135.db2.gz GFNROBDVXVZFHH-TZMCWYRMSA-N 2 1 306.479 2.204 20 30 DEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422903197 526951316 /nfs/dbraw/zinc/95/13/16/526951316.db2.gz FFFCUQRCCCNXCQ-OKZBNKHCSA-N 2 1 316.445 2.498 20 30 DEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@H](C(C)C)C1 ZINC000261666748 528807407 /nfs/dbraw/zinc/80/74/07/528807407.db2.gz BNIPBGDZDSQRNT-HNNXBMFYSA-N 2 1 323.510 2.230 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267475283 529073808 /nfs/dbraw/zinc/07/38/08/529073808.db2.gz ZECDRWOPJDLHPS-BBWFWOEESA-N 2 1 300.450 2.006 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523274 625499197 /nfs/dbraw/zinc/49/91/97/625499197.db2.gz LCIMEGUMFNENEU-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001026560795 625522769 /nfs/dbraw/zinc/52/27/69/625522769.db2.gz DUJGMHUJUCCOCE-LRVUVFPRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836294 622941581 /nfs/dbraw/zinc/94/15/81/622941581.db2.gz KVXYHZHAHZCBJN-GDBMZVCRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529119 623522600 /nfs/dbraw/zinc/52/26/00/623522600.db2.gz MIEPRTGFOSPDHJ-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719957 623641665 /nfs/dbraw/zinc/64/16/65/623641665.db2.gz XNMFBHDLQJMMFN-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664297 623920756 /nfs/dbraw/zinc/92/07/56/623920756.db2.gz GXNHWWHDQWLCHE-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971564628 624187657 /nfs/dbraw/zinc/18/76/57/624187657.db2.gz ZGAVYUJZYACMEG-CABCVRRESA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971564628 624187658 /nfs/dbraw/zinc/18/76/58/624187658.db2.gz ZGAVYUJZYACMEG-CABCVRRESA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024813326 625066147 /nfs/dbraw/zinc/06/61/47/625066147.db2.gz ZGCGQEPYDFCBEJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024614572 625933032 /nfs/dbraw/zinc/93/30/32/625933032.db2.gz JDNCHCLHXXLZBI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024614572 625933036 /nfs/dbraw/zinc/93/30/36/625933036.db2.gz JDNCHCLHXXLZBI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024614572 625933038 /nfs/dbraw/zinc/93/30/38/625933038.db2.gz JDNCHCLHXXLZBI-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024634196 625943594 /nfs/dbraw/zinc/94/35/94/625943594.db2.gz SEFQKZKNGSVTHD-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999346311 634567499 /nfs/dbraw/zinc/56/74/99/634567499.db2.gz DEKLDKMVXGDXTN-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999400885 634579470 /nfs/dbraw/zinc/57/94/70/634579470.db2.gz MKCNSQSZPMICST-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC000995870572 633131880 /nfs/dbraw/zinc/13/18/80/633131880.db2.gz JCJBMSSRQJJZIG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995896382 633133741 /nfs/dbraw/zinc/13/37/41/633133741.db2.gz NGZCXSGZCXVDHT-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995921865 633140972 /nfs/dbraw/zinc/14/09/72/633140972.db2.gz ZAOYERYOBNODGQ-AWEZNQCLSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378071 633250125 /nfs/dbraw/zinc/25/01/25/633250125.db2.gz DFRKXCYJXMIYDW-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974822856 633318627 /nfs/dbraw/zinc/31/86/27/633318627.db2.gz BBZUHYYZVXWXFW-INIZCTEOSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C(C)(C)C1 ZINC000974882545 633351882 /nfs/dbraw/zinc/35/18/82/633351882.db2.gz JYFSZULMIZOAPZ-QGZVFWFLSA-N 2 1 324.428 2.499 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036475 633392203 /nfs/dbraw/zinc/39/22/03/633392203.db2.gz IROODAYINSVCBI-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036475 633392209 /nfs/dbraw/zinc/39/22/09/633392209.db2.gz IROODAYINSVCBI-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036475 633392214 /nfs/dbraw/zinc/39/22/14/633392214.db2.gz IROODAYINSVCBI-HNNXBMFYSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036476 633392287 /nfs/dbraw/zinc/39/22/87/633392287.db2.gz IROODAYINSVCBI-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036476 633392289 /nfs/dbraw/zinc/39/22/89/633392289.db2.gz IROODAYINSVCBI-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975036476 633392293 /nfs/dbraw/zinc/39/22/93/633392293.db2.gz IROODAYINSVCBI-OAHLLOKOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997083486 633568928 /nfs/dbraw/zinc/56/89/28/633568928.db2.gz KZUOTJVRURHDPE-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997279915 633694689 /nfs/dbraw/zinc/69/46/89/633694689.db2.gz QEXACESKNGETBW-UXLLHSPISA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997433851 633755670 /nfs/dbraw/zinc/75/56/70/633755670.db2.gz KBNCQIASZFLUCZ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027437660 633785162 /nfs/dbraw/zinc/78/51/62/633785162.db2.gz CYAFWDMSWZABJM-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437660 633785166 /nfs/dbraw/zinc/78/51/66/633785166.db2.gz CYAFWDMSWZABJM-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027437660 633785170 /nfs/dbraw/zinc/78/51/70/633785170.db2.gz CYAFWDMSWZABJM-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442346 633796091 /nfs/dbraw/zinc/79/60/91/633796091.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442346 633796097 /nfs/dbraw/zinc/79/60/97/633796097.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442346 633796102 /nfs/dbraw/zinc/79/61/02/633796102.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442346 633796112 /nfs/dbraw/zinc/79/61/12/633796112.db2.gz SBRHBHFMXIRFIW-HNNXBMFYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541625 634060615 /nfs/dbraw/zinc/06/06/15/634060615.db2.gz WGWTVBRDAQWTOH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541625 634060621 /nfs/dbraw/zinc/06/06/21/634060621.db2.gz WGWTVBRDAQWTOH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541625 634060626 /nfs/dbraw/zinc/06/06/26/634060626.db2.gz WGWTVBRDAQWTOH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027893115 634891863 /nfs/dbraw/zinc/89/18/63/634891863.db2.gz NEXVDWZFBBRBOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893115 634891866 /nfs/dbraw/zinc/89/18/66/634891866.db2.gz NEXVDWZFBBRBOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027893115 634891873 /nfs/dbraw/zinc/89/18/73/634891873.db2.gz NEXVDWZFBBRBOP-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001027920361 634967230 /nfs/dbraw/zinc/96/72/30/634967230.db2.gz HYGWZTIPVJUREH-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491725 635023346 /nfs/dbraw/zinc/02/33/46/635023346.db2.gz WHPBPMILCRIIEK-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491725 635023348 /nfs/dbraw/zinc/02/33/48/635023348.db2.gz WHPBPMILCRIIEK-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001324749 635463196 /nfs/dbraw/zinc/46/31/96/635463196.db2.gz KMENSACNERWIQS-UHFFFAOYSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098866 635515169 /nfs/dbraw/zinc/51/51/69/635515169.db2.gz XGHVRCQYSIAMKP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098866 635515170 /nfs/dbraw/zinc/51/51/70/635515170.db2.gz XGHVRCQYSIAMKP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098866 635515173 /nfs/dbraw/zinc/51/51/73/635515173.db2.gz XGHVRCQYSIAMKP-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846530 635686277 /nfs/dbraw/zinc/68/62/77/635686277.db2.gz HOPNFXQQYNNWJK-UHFFFAOYSA-N 2 1 322.412 2.124 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981872062 635702278 /nfs/dbraw/zinc/70/22/78/635702278.db2.gz KUOIJZJFUXHJGH-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893346 635714573 /nfs/dbraw/zinc/71/45/73/635714573.db2.gz DTAGUGPUJARDSG-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982018322 635813659 /nfs/dbraw/zinc/81/36/59/635813659.db2.gz CRBQRMYKRHSIAS-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982084677 635856861 /nfs/dbraw/zinc/85/68/61/635856861.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084677 635856866 /nfs/dbraw/zinc/85/68/66/635856866.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084677 635856871 /nfs/dbraw/zinc/85/68/71/635856871.db2.gz XSUBTRALXWFECT-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230703 635925650 /nfs/dbraw/zinc/92/56/50/635925650.db2.gz QMPNAMOTTCKMBA-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003741746 636044983 /nfs/dbraw/zinc/04/49/83/636044983.db2.gz QUFVTDYFNNHYEA-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776071 636051856 /nfs/dbraw/zinc/05/18/56/636051856.db2.gz HJVMGZZQEOIRNP-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735422 636384356 /nfs/dbraw/zinc/38/43/56/636384356.db2.gz HOLHBWNZWPIGJK-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735422 636384357 /nfs/dbraw/zinc/38/43/57/636384357.db2.gz HOLHBWNZWPIGJK-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735422 636384360 /nfs/dbraw/zinc/38/43/60/636384360.db2.gz HOLHBWNZWPIGJK-YTQUADARSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004367431 636394606 /nfs/dbraw/zinc/39/46/06/636394606.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004367431 636394609 /nfs/dbraw/zinc/39/46/09/636394609.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004367431 636394614 /nfs/dbraw/zinc/39/46/14/636394614.db2.gz CMXOMSHXNSJOET-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004460047 636459644 /nfs/dbraw/zinc/45/96/44/636459644.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004460047 636459648 /nfs/dbraw/zinc/45/96/48/636459648.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004460047 636459651 /nfs/dbraw/zinc/45/96/51/636459651.db2.gz UHGOIEJMNSWNHM-SFHVURJKSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004476671 636465015 /nfs/dbraw/zinc/46/50/15/636465015.db2.gz ZBXCDCQDDIDOOQ-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004476671 636465018 /nfs/dbraw/zinc/46/50/18/636465018.db2.gz ZBXCDCQDDIDOOQ-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618358 636503166 /nfs/dbraw/zinc/50/31/66/636503166.db2.gz VWLWNDRASNNFKS-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618358 636503173 /nfs/dbraw/zinc/50/31/73/636503173.db2.gz VWLWNDRASNNFKS-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618358 636503177 /nfs/dbraw/zinc/50/31/77/636503177.db2.gz VWLWNDRASNNFKS-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005390857 636730145 /nfs/dbraw/zinc/73/01/45/636730145.db2.gz MQCOKXBRKIETFZ-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005502342 636753538 /nfs/dbraw/zinc/75/35/38/636753538.db2.gz DAYNYCGCMZCQFL-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845381 636784576 /nfs/dbraw/zinc/78/45/76/636784576.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845381 636784580 /nfs/dbraw/zinc/78/45/80/636784580.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845381 636784583 /nfs/dbraw/zinc/78/45/83/636784583.db2.gz JWGQBSLRBMGLID-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946895221 637146372 /nfs/dbraw/zinc/14/63/72/637146372.db2.gz SSXBERIIPVSULL-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987101820 640086674 /nfs/dbraw/zinc/08/66/74/640086674.db2.gz HUDOQECBPHZZRK-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767761 641986546 /nfs/dbraw/zinc/98/65/46/641986546.db2.gz YRSXSSAAQXMOLQ-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767761 641986550 /nfs/dbraw/zinc/98/65/50/641986550.db2.gz YRSXSSAAQXMOLQ-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990767761 641986551 /nfs/dbraw/zinc/98/65/51/641986551.db2.gz YRSXSSAAQXMOLQ-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785843 642070474 /nfs/dbraw/zinc/07/04/74/642070474.db2.gz AAGRTIVDIBDWMI-VXNCWWDNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785843 642070478 /nfs/dbraw/zinc/07/04/78/642070478.db2.gz AAGRTIVDIBDWMI-VXNCWWDNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990785843 642070480 /nfs/dbraw/zinc/07/04/80/642070480.db2.gz AAGRTIVDIBDWMI-VXNCWWDNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000900159929 642276199 /nfs/dbraw/zinc/27/61/99/642276199.db2.gz SFDFGANZBQTADQ-UHFFFAOYSA-N 2 1 315.461 2.059 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000901026643 642548005 /nfs/dbraw/zinc/54/80/05/642548005.db2.gz VFFCYQYNNXIQFZ-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779225 643459533 /nfs/dbraw/zinc/45/95/33/643459533.db2.gz WRAYZJKTHKSNMB-SFHVURJKSA-N 2 1 313.445 2.191 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992156724 646877614 /nfs/dbraw/zinc/87/76/14/646877614.db2.gz XBIZWEJKSTVAGY-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171296 646884897 /nfs/dbraw/zinc/88/48/97/646884897.db2.gz XIOCPELGJNQNCL-LPHOPBHVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353880 646956073 /nfs/dbraw/zinc/95/60/73/646956073.db2.gz SYJDCGAWGIPSSF-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353880 646956074 /nfs/dbraw/zinc/95/60/74/646956074.db2.gz SYJDCGAWGIPSSF-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992412049 646980399 /nfs/dbraw/zinc/98/03/99/646980399.db2.gz QQIQWLRXKHISLW-QFBILLFUSA-N 2 1 317.477 2.162 20 30 DEEDMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[nH+]c1 ZINC000819129188 647588857 /nfs/dbraw/zinc/58/88/57/647588857.db2.gz CUQWBHVECAIQGQ-QGZVFWFLSA-N 2 1 310.401 2.387 20 30 DEEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000915680340 647602541 /nfs/dbraw/zinc/60/25/41/647602541.db2.gz BTLHBEFNHYFOIO-GOSISDBHSA-N 2 1 301.434 2.227 20 30 DEEDMP CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000915680340 647602546 /nfs/dbraw/zinc/60/25/46/647602546.db2.gz BTLHBEFNHYFOIO-GOSISDBHSA-N 2 1 301.434 2.227 20 30 DEEDMP C[NH+]1CCN(N=C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000915934343 647821240 /nfs/dbraw/zinc/82/12/40/647821240.db2.gz YKHJKUTUOLUSMB-UHFFFAOYSA-N 2 1 318.440 2.067 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757235 648940400 /nfs/dbraw/zinc/94/04/00/648940400.db2.gz WJFYWXVUXOAQRC-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757235 648940403 /nfs/dbraw/zinc/94/04/03/648940403.db2.gz WJFYWXVUXOAQRC-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757235 648940406 /nfs/dbraw/zinc/94/04/06/648940406.db2.gz WJFYWXVUXOAQRC-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052287 649142881 /nfs/dbraw/zinc/14/28/81/649142881.db2.gz DVUNPHUYXSRTSV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942173940 649174713 /nfs/dbraw/zinc/17/47/13/649174713.db2.gz SNSJYXRTVHIOCO-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942821181 649289375 /nfs/dbraw/zinc/28/93/75/649289375.db2.gz CVXFVFWIOKPLHR-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000858334835 652310361 /nfs/dbraw/zinc/31/03/61/652310361.db2.gz SEYPSJCDRJTSHZ-IBGZPJMESA-N 2 1 300.446 2.321 20 30 DEEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304742579 685258872 /nfs/dbraw/zinc/25/88/72/685258872.db2.gz CQAONGAWROEWPU-JKSUJKDBSA-N 2 1 312.502 2.074 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741448 685259034 /nfs/dbraw/zinc/25/90/34/685259034.db2.gz CDNCQWQFILJVOU-INIZCTEOSA-N 2 1 318.440 2.246 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145484 693861564 /nfs/dbraw/zinc/86/15/64/693861564.db2.gz QRLGNRWDMBLVFH-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP COc1cccc([C@@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)c1 ZINC000303782796 685234032 /nfs/dbraw/zinc/23/40/32/685234032.db2.gz NPPSYVCRMACGAX-MRXNPFEDSA-N 2 1 304.438 2.145 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791185 685235746 /nfs/dbraw/zinc/23/57/46/685235746.db2.gz XDFGNCLEFKXVLF-HNNXBMFYSA-N 2 1 310.486 2.114 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896145 685238734 /nfs/dbraw/zinc/23/87/34/685238734.db2.gz UHKQMRFZKFYWKN-MRXNPFEDSA-N 2 1 318.440 2.246 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCC(C#N)CC1 ZINC000930062749 694081654 /nfs/dbraw/zinc/08/16/54/694081654.db2.gz YHTBNGHCPXLAOF-QEXNXIHPSA-N 2 1 305.466 2.500 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796656 687425257 /nfs/dbraw/zinc/42/52/57/687425257.db2.gz ZGCDGJGOBLLKTD-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015930912 687470176 /nfs/dbraw/zinc/47/01/76/687470176.db2.gz WCECKUSTNRZRMP-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000930310920 694133734 /nfs/dbraw/zinc/13/37/34/694133734.db2.gz UBPCEDHWSUNXQB-UHFFFAOYSA-N 2 1 313.445 2.414 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001017666105 687936201 /nfs/dbraw/zinc/93/62/01/687936201.db2.gz FIBPBZFXJGBTRR-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001017666105 687936203 /nfs/dbraw/zinc/93/62/03/687936203.db2.gz FIBPBZFXJGBTRR-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001017666105 687936205 /nfs/dbraw/zinc/93/62/05/687936205.db2.gz FIBPBZFXJGBTRR-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176530 688071609 /nfs/dbraw/zinc/07/16/09/688071609.db2.gz KSUNPPKTECXILA-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176530 688071615 /nfs/dbraw/zinc/07/16/15/688071615.db2.gz KSUNPPKTECXILA-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001019825544 688413252 /nfs/dbraw/zinc/41/32/52/688413252.db2.gz DIHICBAKFHOEEJ-JKSUJKDBSA-N 2 1 321.852 2.232 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032710541 689232746 /nfs/dbraw/zinc/23/27/46/689232746.db2.gz GBBWNIKTPXWOFW-ROUUACIJSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466203 689511437 /nfs/dbraw/zinc/51/14/37/689511437.db2.gz JGGKNWFDQUGIGZ-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466203 689511440 /nfs/dbraw/zinc/51/14/40/689511440.db2.gz JGGKNWFDQUGIGZ-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577082 689549254 /nfs/dbraw/zinc/54/92/54/689549254.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577082 689549256 /nfs/dbraw/zinc/54/92/56/689549256.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577082 689549257 /nfs/dbraw/zinc/54/92/57/689549257.db2.gz ZEAMEPOLQBINOA-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211802 689764504 /nfs/dbraw/zinc/76/45/04/689764504.db2.gz OPVJFGCBMRJEDM-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034241468 689777905 /nfs/dbraw/zinc/77/79/05/689777905.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241468 689777908 /nfs/dbraw/zinc/77/79/08/689777908.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034241468 689777910 /nfs/dbraw/zinc/77/79/10/689777910.db2.gz XVZGZXVPZINEHI-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284957 689794771 /nfs/dbraw/zinc/79/47/71/689794771.db2.gz AIVQUAQJPQYAMB-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034284957 689794774 /nfs/dbraw/zinc/79/47/74/689794774.db2.gz AIVQUAQJPQYAMB-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034284957 689794776 /nfs/dbraw/zinc/79/47/76/689794776.db2.gz AIVQUAQJPQYAMB-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309571 689804898 /nfs/dbraw/zinc/80/48/98/689804898.db2.gz MRJNVSMUBYWXHW-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369787 689826185 /nfs/dbraw/zinc/82/61/85/689826185.db2.gz VFDWHKWNHMTMTJ-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369787 689826188 /nfs/dbraw/zinc/82/61/88/689826188.db2.gz VFDWHKWNHMTMTJ-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369787 689826190 /nfs/dbraw/zinc/82/61/90/689826190.db2.gz VFDWHKWNHMTMTJ-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000876708863 689910834 /nfs/dbraw/zinc/91/08/34/689910834.db2.gz CHSHCSJYCDZQSZ-MRXNPFEDSA-N 2 1 321.852 2.109 20 30 DEEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035189185 690054810 /nfs/dbraw/zinc/05/48/10/690054810.db2.gz XHUFXHAIPLCRBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035189185 690054813 /nfs/dbraw/zinc/05/48/13/690054813.db2.gz XHUFXHAIPLCRBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035189185 690054817 /nfs/dbraw/zinc/05/48/17/690054817.db2.gz XHUFXHAIPLCRBS-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035226933 690066077 /nfs/dbraw/zinc/06/60/77/690066077.db2.gz PATZGZWRYJYZGZ-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227640 690066510 /nfs/dbraw/zinc/06/65/10/690066510.db2.gz TYMNALCQARWMDK-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227640 690066514 /nfs/dbraw/zinc/06/65/14/690066514.db2.gz TYMNALCQARWMDK-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227640 690066516 /nfs/dbraw/zinc/06/65/16/690066516.db2.gz TYMNALCQARWMDK-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CCCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000877522688 690140017 /nfs/dbraw/zinc/14/00/17/690140017.db2.gz SGNOSQIABWATIE-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035732563 690162943 /nfs/dbraw/zinc/16/29/43/690162943.db2.gz DZDJDWVYFUWQHA-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486805 /nfs/dbraw/zinc/48/68/05/690486805.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486806 /nfs/dbraw/zinc/48/68/06/690486806.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820900 690486808 /nfs/dbraw/zinc/48/68/08/690486808.db2.gz QLNAPZIDMKSXMQ-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP CCN(CCC#N)C(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702669 690709985 /nfs/dbraw/zinc/70/99/85/690709985.db2.gz ULPPYKBPAAWHCU-UHFFFAOYSA-N 2 1 322.497 2.048 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554552 690855730 /nfs/dbraw/zinc/85/57/30/690855730.db2.gz GOUCUBSBNDEESM-QGZVFWFLSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039116099 691023837 /nfs/dbraw/zinc/02/38/37/691023837.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116099 691023841 /nfs/dbraw/zinc/02/38/41/691023841.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039116099 691023844 /nfs/dbraw/zinc/02/38/44/691023844.db2.gz QLYFZTQBXNSLQD-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173039 691039173 /nfs/dbraw/zinc/03/91/73/691039173.db2.gz LOPGHZVZDMIQJP-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039321847 691081377 /nfs/dbraw/zinc/08/13/77/691081377.db2.gz UEJPJRPOQTZXHG-XYTVBORESA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039385929 691094945 /nfs/dbraw/zinc/09/49/45/691094945.db2.gz ODCYQGTXAJEEAR-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039385929 691094948 /nfs/dbraw/zinc/09/49/48/691094948.db2.gz ODCYQGTXAJEEAR-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039385929 691094950 /nfs/dbraw/zinc/09/49/50/691094950.db2.gz ODCYQGTXAJEEAR-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424290 691103503 /nfs/dbraw/zinc/10/35/03/691103503.db2.gz KDQXQHNCSPWPGH-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424290 691103504 /nfs/dbraw/zinc/10/35/04/691103504.db2.gz KDQXQHNCSPWPGH-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424290 691103506 /nfs/dbraw/zinc/10/35/06/691103506.db2.gz KDQXQHNCSPWPGH-FJIDUMEYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039437573 691105612 /nfs/dbraw/zinc/10/56/12/691105612.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437573 691105615 /nfs/dbraw/zinc/10/56/15/691105615.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437573 691105618 /nfs/dbraw/zinc/10/56/18/691105618.db2.gz OTDHBDJIRABHFL-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040236203 691217331 /nfs/dbraw/zinc/21/73/31/691217331.db2.gz JUFXROZJWAHPSD-GOSISDBHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040529896 691262011 /nfs/dbraw/zinc/26/20/11/691262011.db2.gz SEOZAKGBGSHIFC-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040529896 691262015 /nfs/dbraw/zinc/26/20/15/691262015.db2.gz SEOZAKGBGSHIFC-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275614 691354182 /nfs/dbraw/zinc/35/41/82/691354182.db2.gz GBJQCGNZBIJDBT-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275614 691354187 /nfs/dbraw/zinc/35/41/87/691354187.db2.gz GBJQCGNZBIJDBT-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275614 691354191 /nfs/dbraw/zinc/35/41/91/691354191.db2.gz GBJQCGNZBIJDBT-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041358898 691366727 /nfs/dbraw/zinc/36/67/27/691366727.db2.gz RGHINESMZAACDA-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358898 691366731 /nfs/dbraw/zinc/36/67/31/691366731.db2.gz RGHINESMZAACDA-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041358898 691366734 /nfs/dbraw/zinc/36/67/34/691366734.db2.gz RGHINESMZAACDA-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041429453 691374158 /nfs/dbraw/zinc/37/41/58/691374158.db2.gz VPPUBPUJCCHNEJ-LJQANCHMSA-N 2 1 324.428 2.367 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041844630 691444135 /nfs/dbraw/zinc/44/41/35/691444135.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844630 691444139 /nfs/dbraw/zinc/44/41/39/691444139.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844630 691444140 /nfs/dbraw/zinc/44/41/40/691444140.db2.gz BIQHNEFQGFVNGE-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845722 691444302 /nfs/dbraw/zinc/44/43/02/691444302.db2.gz OSICJIRNLLDNEF-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027094 691986771 /nfs/dbraw/zinc/98/67/71/691986771.db2.gz CBVLCTSWUAOURW-IRXDYDNUSA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027094 691986774 /nfs/dbraw/zinc/98/67/74/691986774.db2.gz CBVLCTSWUAOURW-IRXDYDNUSA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027094 691986776 /nfs/dbraw/zinc/98/67/76/691986776.db2.gz CBVLCTSWUAOURW-IRXDYDNUSA-N 2 1 305.466 2.095 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050543761 693204641 /nfs/dbraw/zinc/20/46/41/693204641.db2.gz LMJYKNRQYSQSIL-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439356 693535053 /nfs/dbraw/zinc/53/50/53/693535053.db2.gz LLCPTYRWNWIBQT-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439356 693535057 /nfs/dbraw/zinc/53/50/57/693535057.db2.gz LLCPTYRWNWIBQT-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663509 693591538 /nfs/dbraw/zinc/59/15/38/693591538.db2.gz SYPXFKGQXNNRRT-HNNXBMFYSA-N 2 1 305.422 2.112 20 30 DEEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479843709 1150890926 /nfs/dbraw/zinc/89/09/26/1150890926.db2.gz JWRKIUBQJUTWRH-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479843709 1150890929 /nfs/dbraw/zinc/89/09/29/1150890929.db2.gz JWRKIUBQJUTWRH-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479843709 1150890931 /nfs/dbraw/zinc/89/09/31/1150890931.db2.gz JWRKIUBQJUTWRH-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC001346252703 1150958996 /nfs/dbraw/zinc/95/89/96/1150958996.db2.gz WPCXUKMCBIFQAD-UHFFFAOYSA-N 2 1 317.408 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001380077543 1152746606 /nfs/dbraw/zinc/74/66/06/1152746606.db2.gz QLEWMNVXURKMKL-KBPBESRZSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001382519969 1153461864 /nfs/dbraw/zinc/46/18/64/1153461864.db2.gz JDAUUZVYEUZKPT-ZDUSSCGKSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001390608003 1155813164 /nfs/dbraw/zinc/81/31/64/1155813164.db2.gz HNMBJEHLJZNVGE-ZIAGYGMSSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001391859368 1156817730 /nfs/dbraw/zinc/81/77/30/1156817730.db2.gz APCIQUGMLNZRFQ-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661344 1160687810 /nfs/dbraw/zinc/68/78/10/1160687810.db2.gz XTVKDGLAXGKNJU-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001377661344 1160687817 /nfs/dbraw/zinc/68/78/17/1160687817.db2.gz XTVKDGLAXGKNJU-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001399375166 1161368071 /nfs/dbraw/zinc/36/80/71/1161368071.db2.gz KODNRLUGHYSRGM-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001403979860 1163348019 /nfs/dbraw/zinc/34/80/19/1163348019.db2.gz LOIVRKASEAIGST-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001420129177 1169182391 /nfs/dbraw/zinc/18/23/91/1169182391.db2.gz FORHWARMBKRWTN-ZDUSSCGKSA-N 2 1 303.878 2.201 20 30 DEEDMP N#Cc1cccc([C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477517 1178631653 /nfs/dbraw/zinc/63/16/53/1178631653.db2.gz CIXFMZOZFXIMGC-LJQANCHMSA-N 2 1 322.412 2.199 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437354443 1179751342 /nfs/dbraw/zinc/75/13/42/1179751342.db2.gz YYUCQNSRPNWDGY-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001437354443 1179751352 /nfs/dbraw/zinc/75/13/52/1179751352.db2.gz YYUCQNSRPNWDGY-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001444531457 1183435660 /nfs/dbraw/zinc/43/56/60/1183435660.db2.gz BUFIDYCNILWXHP-ZDUSSCGKSA-N 2 1 313.873 2.099 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850102 790272883 /nfs/dbraw/zinc/27/28/83/790272883.db2.gz RAIKXTLBYMWIFG-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850102 790272888 /nfs/dbraw/zinc/27/28/88/790272888.db2.gz RAIKXTLBYMWIFG-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850102 790272892 /nfs/dbraw/zinc/27/28/92/790272892.db2.gz RAIKXTLBYMWIFG-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497990 783154184 /nfs/dbraw/zinc/15/41/84/783154184.db2.gz MXZBWZBTSQPVKM-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538783 783193559 /nfs/dbraw/zinc/19/35/59/783193559.db2.gz FZMALIMAULKBAS-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617378 783190832 /nfs/dbraw/zinc/19/08/32/783190832.db2.gz XXMFUGICZJWSHM-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167425506 777019312 /nfs/dbraw/zinc/01/93/12/777019312.db2.gz GYLLULXTHGLRSG-IAGOWNOFSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000971523667 777131071 /nfs/dbraw/zinc/13/10/71/777131071.db2.gz XJSLXJDOSYPSDL-HUUCEWRRSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971523667 777131072 /nfs/dbraw/zinc/13/10/72/777131072.db2.gz XJSLXJDOSYPSDL-HUUCEWRRSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971523667 777131073 /nfs/dbraw/zinc/13/10/73/777131073.db2.gz XJSLXJDOSYPSDL-HUUCEWRRSA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC000971523667 777131075 /nfs/dbraw/zinc/13/10/75/777131075.db2.gz XJSLXJDOSYPSDL-HUUCEWRRSA-N 2 1 313.873 2.144 20 30 DEEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207397000 777660440 /nfs/dbraw/zinc/66/04/40/777660440.db2.gz BJZYPVPDPTVTGH-QZTJIDSGSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104939337 778266555 /nfs/dbraw/zinc/26/65/55/778266555.db2.gz LZOYTYIVKHUOSV-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001171121537 790693352 /nfs/dbraw/zinc/69/33/52/790693352.db2.gz UTLBTGYURLMHGY-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593318 779367747 /nfs/dbraw/zinc/36/77/47/779367747.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593318 779367753 /nfs/dbraw/zinc/36/77/53/779367753.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593318 779367758 /nfs/dbraw/zinc/36/77/58/779367758.db2.gz BCQNYUDCIHWZSF-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087619848 779380970 /nfs/dbraw/zinc/38/09/70/779380970.db2.gz HMAZNDVNUKDWQC-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725441 779425007 /nfs/dbraw/zinc/42/50/07/779425007.db2.gz OZYTYNXUHIMMTL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725441 779425010 /nfs/dbraw/zinc/42/50/10/779425010.db2.gz OZYTYNXUHIMMTL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725441 779425012 /nfs/dbraw/zinc/42/50/12/779425012.db2.gz OZYTYNXUHIMMTL-YESZJQIVSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781247 779448160 /nfs/dbraw/zinc/44/81/60/779448160.db2.gz YOXKYXBFKJJSHD-ZWKOTPCHSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088326641 779958198 /nfs/dbraw/zinc/95/81/98/779958198.db2.gz UKFFMYXQGKERMP-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168137010 780210709 /nfs/dbraw/zinc/21/07/09/780210709.db2.gz KYHVGCSJDCTQLX-JKSUJKDBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567374 780493778 /nfs/dbraw/zinc/49/37/78/780493778.db2.gz JTRAFSVGVLYFNP-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088823100 781059056 /nfs/dbraw/zinc/05/90/56/781059056.db2.gz WECIOABYXQJOTD-HIFRSBDPSA-N 2 1 305.422 2.110 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088823100 781059061 /nfs/dbraw/zinc/05/90/61/781059061.db2.gz WECIOABYXQJOTD-HIFRSBDPSA-N 2 1 305.422 2.110 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600767 781215157 /nfs/dbraw/zinc/21/51/57/781215157.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600767 781215162 /nfs/dbraw/zinc/21/51/62/781215162.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600767 781215167 /nfs/dbraw/zinc/21/51/67/781215167.db2.gz UMXNAWSQHJZRPI-IXDOHACOSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C[C@@H]1C ZINC000947941215 783274828 /nfs/dbraw/zinc/27/48/28/783274828.db2.gz ZGHHGPXAQJIKGQ-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941215 783274833 /nfs/dbraw/zinc/27/48/33/783274833.db2.gz ZGHHGPXAQJIKGQ-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941215 783274844 /nfs/dbraw/zinc/27/48/44/783274844.db2.gz ZGHHGPXAQJIKGQ-LSDHHAIUSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948045100 783302355 /nfs/dbraw/zinc/30/23/55/783302355.db2.gz WVFZKFXNDCXVHI-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000948045100 783302364 /nfs/dbraw/zinc/30/23/64/783302364.db2.gz WVFZKFXNDCXVHI-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364334 783439633 /nfs/dbraw/zinc/43/96/33/783439633.db2.gz DLPNQCUXQSFNHF-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364334 783439639 /nfs/dbraw/zinc/43/96/39/783439639.db2.gz DLPNQCUXQSFNHF-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364334 783439643 /nfs/dbraw/zinc/43/96/43/783439643.db2.gz DLPNQCUXQSFNHF-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127675278 783513707 /nfs/dbraw/zinc/51/37/07/783513707.db2.gz PULYBEFACTUAJB-LSDHHAIUSA-N 2 1 306.454 2.457 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967205551 783905352 /nfs/dbraw/zinc/90/53/52/783905352.db2.gz LFRSVFKDCAHSSE-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001085783044 784074388 /nfs/dbraw/zinc/07/43/88/784074388.db2.gz LMPLFIMDZSHCLE-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783044 784074394 /nfs/dbraw/zinc/07/43/94/784074394.db2.gz LMPLFIMDZSHCLE-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001085783044 784074401 /nfs/dbraw/zinc/07/44/01/784074401.db2.gz LMPLFIMDZSHCLE-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085787944 784081851 /nfs/dbraw/zinc/08/18/51/784081851.db2.gz AHEKMTDPLCFRST-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C[NH+](C)C ZINC001085787944 784081857 /nfs/dbraw/zinc/08/18/57/784081857.db2.gz AHEKMTDPLCFRST-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876253 784166006 /nfs/dbraw/zinc/16/60/06/784166006.db2.gz VYEVDWCIFBYHTA-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001085915775 784214529 /nfs/dbraw/zinc/21/45/29/784214529.db2.gz KMMGMRVECSHBLT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085915775 784214534 /nfs/dbraw/zinc/21/45/34/784214534.db2.gz KMMGMRVECSHBLT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915775 784214538 /nfs/dbraw/zinc/21/45/38/784214538.db2.gz KMMGMRVECSHBLT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085915775 784214543 /nfs/dbraw/zinc/21/45/43/784214543.db2.gz KMMGMRVECSHBLT-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087242 784396967 /nfs/dbraw/zinc/39/69/67/784396967.db2.gz UDSGGHJMOVGMJA-YESZJQIVSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086105461 784409550 /nfs/dbraw/zinc/40/95/50/784409550.db2.gz OOLVDZBXWMXNQV-ZACQAIPSSA-N 2 1 307.482 2.025 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849693 784616871 /nfs/dbraw/zinc/61/68/71/784616871.db2.gz DDGBFYWHFWMCBE-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968849693 784616879 /nfs/dbraw/zinc/61/68/79/784616879.db2.gz DDGBFYWHFWMCBE-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968849693 784616882 /nfs/dbraw/zinc/61/68/82/784616882.db2.gz DDGBFYWHFWMCBE-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000968916035 784648763 /nfs/dbraw/zinc/64/87/63/784648763.db2.gz XAAVJPPEFCHBCH-CABCVRRESA-N 2 1 313.873 2.192 20 30 DEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001169141631 785060591 /nfs/dbraw/zinc/06/05/91/785060591.db2.gz RDXWKNAAFBRGRY-BWTSREIZSA-N 2 1 310.445 2.305 20 30 DEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C#N)cc3)CC1)C2 ZINC001169141631 785060594 /nfs/dbraw/zinc/06/05/94/785060594.db2.gz RDXWKNAAFBRGRY-BWTSREIZSA-N 2 1 310.445 2.305 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256000 785118385 /nfs/dbraw/zinc/11/83/85/785118385.db2.gz XHDGGCBEEDHOCR-MSOLQXFVSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256000 785118392 /nfs/dbraw/zinc/11/83/92/785118392.db2.gz XHDGGCBEEDHOCR-MSOLQXFVSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449117 785880481 /nfs/dbraw/zinc/88/04/81/785880481.db2.gz FMAKUNVEWNLYRA-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449117 785880485 /nfs/dbraw/zinc/88/04/85/785880485.db2.gz FMAKUNVEWNLYRA-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449117 785880489 /nfs/dbraw/zinc/88/04/89/785880489.db2.gz FMAKUNVEWNLYRA-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449117 785880497 /nfs/dbraw/zinc/88/04/97/785880497.db2.gz FMAKUNVEWNLYRA-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718407 785995257 /nfs/dbraw/zinc/99/52/57/785995257.db2.gz GNQSECKGZLLKBV-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718407 785995264 /nfs/dbraw/zinc/99/52/64/785995264.db2.gz GNQSECKGZLLKBV-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718407 785995269 /nfs/dbraw/zinc/99/52/69/785995269.db2.gz GNQSECKGZLLKBV-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860107 786087920 /nfs/dbraw/zinc/08/79/20/786087920.db2.gz LMRWYKSIKNYYQM-VSZNYVQBSA-N 2 1 319.493 2.098 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001113348581 786540515 /nfs/dbraw/zinc/54/05/15/786540515.db2.gz SPPLHCXLPLLXHK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014430818 786584277 /nfs/dbraw/zinc/58/42/77/786584277.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014430818 786584300 /nfs/dbraw/zinc/58/43/00/786584300.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014430818 786584304 /nfs/dbraw/zinc/58/43/04/786584304.db2.gz HHTJCLNQHXQKMR-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597476 787131490 /nfs/dbraw/zinc/13/14/90/787131490.db2.gz SDOWFUUFVOXOTR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597476 787131500 /nfs/dbraw/zinc/13/15/00/787131500.db2.gz SDOWFUUFVOXOTR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001015597476 787131502 /nfs/dbraw/zinc/13/15/02/787131502.db2.gz SDOWFUUFVOXOTR-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183326 787961476 /nfs/dbraw/zinc/96/14/76/787961476.db2.gz MYBBPJOWVQFXNS-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183326 787961480 /nfs/dbraw/zinc/96/14/80/787961480.db2.gz MYBBPJOWVQFXNS-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132366169 788041385 /nfs/dbraw/zinc/04/13/85/788041385.db2.gz XHYBLUDEIRSWDH-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366169 788041395 /nfs/dbraw/zinc/04/13/95/788041395.db2.gz XHYBLUDEIRSWDH-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132366169 788041402 /nfs/dbraw/zinc/04/14/02/788041402.db2.gz XHYBLUDEIRSWDH-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398822 788084745 /nfs/dbraw/zinc/08/47/45/788084745.db2.gz MFYBGMIJUZAUPC-OLMNPRSZSA-N 2 1 322.412 2.001 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493994 788104511 /nfs/dbraw/zinc/10/45/11/788104511.db2.gz OYCUOGZDJDAMAD-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524094 788113055 /nfs/dbraw/zinc/11/30/55/788113055.db2.gz CZOIMPBUVHZMCK-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549731 788127602 /nfs/dbraw/zinc/12/76/02/788127602.db2.gz YSFPTPHHQQAVJR-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121761 788287441 /nfs/dbraw/zinc/28/74/41/788287441.db2.gz KZCCXBPCCGAPPL-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262107 788339088 /nfs/dbraw/zinc/33/90/88/788339088.db2.gz GRDSAGVPRDLLJT-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103178 789199742 /nfs/dbraw/zinc/19/97/42/789199742.db2.gz XJZNNYKNFOUHGE-IAGOWNOFSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071607424 789810318 /nfs/dbraw/zinc/81/03/18/789810318.db2.gz PIYBROLOGUPWHP-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071651456 789841869 /nfs/dbraw/zinc/84/18/69/789841869.db2.gz IWBPXWJZUPLNQF-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957592 789987756 /nfs/dbraw/zinc/98/77/56/789987756.db2.gz KVFUHWHPLNNBJO-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072085301 790046294 /nfs/dbraw/zinc/04/62/94/790046294.db2.gz QUYZAFZMVXEVFY-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072085301 790046297 /nfs/dbraw/zinc/04/62/97/790046297.db2.gz QUYZAFZMVXEVFY-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000398020071 790239595 /nfs/dbraw/zinc/23/95/95/790239595.db2.gz JMVCGXWZRRMYHW-WMZOPIPTSA-N 2 1 301.434 2.417 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000398020071 790239596 /nfs/dbraw/zinc/23/95/96/790239596.db2.gz JMVCGXWZRRMYHW-WMZOPIPTSA-N 2 1 301.434 2.417 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706533 791343846 /nfs/dbraw/zinc/34/38/46/791343846.db2.gz GKXRXGSVXJFETE-DLBZAZTESA-N 2 1 315.461 2.015 20 30 DEEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706533 791343851 /nfs/dbraw/zinc/34/38/51/791343851.db2.gz GKXRXGSVXJFETE-DLBZAZTESA-N 2 1 315.461 2.015 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683050 791700984 /nfs/dbraw/zinc/70/09/84/791700984.db2.gz FOZJVGDOXYVDFN-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683050 791700992 /nfs/dbraw/zinc/70/09/92/791700992.db2.gz FOZJVGDOXYVDFN-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683050 791700997 /nfs/dbraw/zinc/70/09/97/791700997.db2.gz FOZJVGDOXYVDFN-MTNOOBJLSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148277658 791728255 /nfs/dbraw/zinc/72/82/55/791728255.db2.gz JZNINVPRXFCDBH-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148277658 791728259 /nfs/dbraw/zinc/72/82/59/791728259.db2.gz JZNINVPRXFCDBH-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605947 791775048 /nfs/dbraw/zinc/77/50/48/791775048.db2.gz YLNCMVPPMQRLGB-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605947 791775050 /nfs/dbraw/zinc/77/50/50/791775050.db2.gz YLNCMVPPMQRLGB-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148605947 791775052 /nfs/dbraw/zinc/77/50/52/791775052.db2.gz YLNCMVPPMQRLGB-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945060 791994664 /nfs/dbraw/zinc/99/46/64/791994664.db2.gz RUITUTIDKOUCJG-LPHOPBHVSA-N 2 1 324.428 2.495 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111320 792100586 /nfs/dbraw/zinc/10/05/86/792100586.db2.gz YSHPXVGEYAMZFV-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111320 792100593 /nfs/dbraw/zinc/10/05/93/792100593.db2.gz YSHPXVGEYAMZFV-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111320 792100598 /nfs/dbraw/zinc/10/05/98/792100598.db2.gz YSHPXVGEYAMZFV-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671788 792108832 /nfs/dbraw/zinc/10/88/32/792108832.db2.gz PJUSZRVKELXKCL-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671788 792108834 /nfs/dbraw/zinc/10/88/34/792108834.db2.gz PJUSZRVKELXKCL-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671788 792108837 /nfs/dbraw/zinc/10/88/37/792108837.db2.gz PJUSZRVKELXKCL-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676993 792109888 /nfs/dbraw/zinc/10/98/88/792109888.db2.gz SGVMQJZEQGLPAB-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676993 792109893 /nfs/dbraw/zinc/10/98/93/792109893.db2.gz SGVMQJZEQGLPAB-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001099496807 792223292 /nfs/dbraw/zinc/22/32/92/792223292.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496807 792223299 /nfs/dbraw/zinc/22/32/99/792223299.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496807 792223303 /nfs/dbraw/zinc/22/33/03/792223303.db2.gz LSQFXHIRZBYPPA-QAETUUGQSA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527852 792230975 /nfs/dbraw/zinc/23/09/75/792230975.db2.gz DNNPUBAHBAUBCV-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403406 792632311 /nfs/dbraw/zinc/63/23/11/792632311.db2.gz MSSDGSMXIBYGCE-CGZBRXJRSA-N 2 1 307.482 2.025 20 30 DEEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848543 792881691 /nfs/dbraw/zinc/88/16/91/792881691.db2.gz RABSTETZEWTPNT-ABHNRTSZSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449730 792929297 /nfs/dbraw/zinc/92/92/97/792929297.db2.gz VGFAJIQMEZXILI-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449730 792929305 /nfs/dbraw/zinc/92/93/05/792929305.db2.gz VGFAJIQMEZXILI-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449730 792929309 /nfs/dbraw/zinc/92/93/09/792929309.db2.gz VGFAJIQMEZXILI-ZHALLVOQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035013 792976748 /nfs/dbraw/zinc/97/67/48/792976748.db2.gz UWODPXBMBBJVBQ-VJFUWPCTSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418312 793149702 /nfs/dbraw/zinc/14/97/02/793149702.db2.gz LKTPMNLGFZCJAO-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418312 793149709 /nfs/dbraw/zinc/14/97/09/793149709.db2.gz LKTPMNLGFZCJAO-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418312 793149715 /nfs/dbraw/zinc/14/97/15/793149715.db2.gz LKTPMNLGFZCJAO-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156498 793518016 /nfs/dbraw/zinc/51/80/16/793518016.db2.gz WTDRMDXPIHFUHI-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156498 793518022 /nfs/dbraw/zinc/51/80/22/793518022.db2.gz WTDRMDXPIHFUHI-HLLBOEOZSA-N 2 1 318.465 2.230 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496040 793634137 /nfs/dbraw/zinc/63/41/37/793634137.db2.gz AFHTWYBIHXKQEE-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496040 793634139 /nfs/dbraw/zinc/63/41/39/793634139.db2.gz AFHTWYBIHXKQEE-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496040 793634143 /nfs/dbraw/zinc/63/41/43/793634143.db2.gz AFHTWYBIHXKQEE-BRWVUGGUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060283 793920032 /nfs/dbraw/zinc/92/00/32/793920032.db2.gz DWLBHDFUNDVDQG-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060283 793920038 /nfs/dbraw/zinc/92/00/38/793920038.db2.gz DWLBHDFUNDVDQG-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060283 793920043 /nfs/dbraw/zinc/92/00/43/793920043.db2.gz DWLBHDFUNDVDQG-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378782 794063929 /nfs/dbraw/zinc/06/39/29/794063929.db2.gz KNDAWOAUXIPHFC-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438592 794091659 /nfs/dbraw/zinc/09/16/59/794091659.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438592 794091668 /nfs/dbraw/zinc/09/16/68/794091668.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438592 794091676 /nfs/dbraw/zinc/09/16/76/794091676.db2.gz RRDHDIIHVVLLRS-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175273781 794165753 /nfs/dbraw/zinc/16/57/53/794165753.db2.gz WCACFFNHGBVIAA-MRXNPFEDSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103642885 794175247 /nfs/dbraw/zinc/17/52/47/794175247.db2.gz AHGPVHUQWPZRGQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103642885 794175251 /nfs/dbraw/zinc/17/52/51/794175251.db2.gz AHGPVHUQWPZRGQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103642885 794175255 /nfs/dbraw/zinc/17/52/55/794175255.db2.gz AHGPVHUQWPZRGQ-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344605 794644684 /nfs/dbraw/zinc/64/46/84/794644684.db2.gz MWNKKJTXWMADRN-UHFFFAOYSA-N 2 1 303.450 2.181 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344605 794644687 /nfs/dbraw/zinc/64/46/87/794644687.db2.gz MWNKKJTXWMADRN-UHFFFAOYSA-N 2 1 303.450 2.181 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591943 794831915 /nfs/dbraw/zinc/83/19/15/794831915.db2.gz LVCCGRVXGIPUNH-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692339 794881845 /nfs/dbraw/zinc/88/18/45/794881845.db2.gz OCKLKWHDCALECN-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178722179 794973414 /nfs/dbraw/zinc/97/34/14/794973414.db2.gz CJSYOWWCLFVRDJ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CCC1 ZINC001178722179 794973420 /nfs/dbraw/zinc/97/34/20/794973420.db2.gz CJSYOWWCLFVRDJ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC ZINC001178722324 794973643 /nfs/dbraw/zinc/97/36/43/794973643.db2.gz GOJMQLGYAFIWOW-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC ZINC001178722324 794973648 /nfs/dbraw/zinc/97/36/48/794973648.db2.gz GOJMQLGYAFIWOW-KRWDZBQOSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409930 795115417 /nfs/dbraw/zinc/11/54/17/795115417.db2.gz SPFIQEPLACRRDD-QAETUUGQSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746493 795170716 /nfs/dbraw/zinc/17/07/16/795170716.db2.gz VOZNAGLMORRIQC-QGZVFWFLSA-N 2 1 307.482 2.149 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041321 795396986 /nfs/dbraw/zinc/39/69/86/795396986.db2.gz OGPHRIZVVNIJKF-UHFFFAOYSA-N 2 1 307.482 2.150 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422805 795456144 /nfs/dbraw/zinc/45/61/44/795456144.db2.gz OOKWSGCSVJOJNF-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440480 795461224 /nfs/dbraw/zinc/46/12/24/795461224.db2.gz NQPNALDTCRJFKS-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440480 795461227 /nfs/dbraw/zinc/46/12/27/795461227.db2.gz NQPNALDTCRJFKS-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440480 795461229 /nfs/dbraw/zinc/46/12/29/795461229.db2.gz NQPNALDTCRJFKS-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120834842 795540471 /nfs/dbraw/zinc/54/04/71/795540471.db2.gz OCXHEXVMDJAGAO-OIJFSCQUSA-N 2 1 319.493 2.452 20 30 DEEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001182917527 795781979 /nfs/dbraw/zinc/78/19/79/795781979.db2.gz MGOAABIVRVTUQE-IEBWSBKVSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183164860 795824639 /nfs/dbraw/zinc/82/46/39/795824639.db2.gz BZIKGVIKTNBHCC-ZIFCJYIRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184609852 796093901 /nfs/dbraw/zinc/09/39/01/796093901.db2.gz WJPUSUPJCILKFV-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170487 796202430 /nfs/dbraw/zinc/20/24/30/796202430.db2.gz PWIMLBFHQFSJDS-JKSUJKDBSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971342 796609013 /nfs/dbraw/zinc/60/90/13/796609013.db2.gz JEFPMUYSZBHNKK-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971342 796609017 /nfs/dbraw/zinc/60/90/17/796609017.db2.gz JEFPMUYSZBHNKK-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971342 796609020 /nfs/dbraw/zinc/60/90/20/796609020.db2.gz JEFPMUYSZBHNKK-WNRNVDISSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246357 796643446 /nfs/dbraw/zinc/64/34/46/796643446.db2.gz JRUAYQHKUHYUGI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246357 796643451 /nfs/dbraw/zinc/64/34/51/796643451.db2.gz JRUAYQHKUHYUGI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246357 796643452 /nfs/dbraw/zinc/64/34/52/796643452.db2.gz JRUAYQHKUHYUGI-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178024 796955865 /nfs/dbraw/zinc/95/58/65/796955865.db2.gz UXVBZIDLBIKCNY-HYVNUMGLSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190178024 796955867 /nfs/dbraw/zinc/95/58/67/796955867.db2.gz UXVBZIDLBIKCNY-HYVNUMGLSA-N 2 1 316.449 2.079 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001190724963 797062440 /nfs/dbraw/zinc/06/24/40/797062440.db2.gz OFYPCZUSGAAVRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001190724963 797062448 /nfs/dbraw/zinc/06/24/48/797062448.db2.gz OFYPCZUSGAAVRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001190724963 797062456 /nfs/dbraw/zinc/06/24/56/797062456.db2.gz OFYPCZUSGAAVRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001190724963 797062463 /nfs/dbraw/zinc/06/24/63/797062463.db2.gz OFYPCZUSGAAVRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001191633445 797233293 /nfs/dbraw/zinc/23/32/93/797233293.db2.gz QTEQTDKZJLKUHT-JKSUJKDBSA-N 2 1 304.438 2.161 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1C#N ZINC001205571376 797266254 /nfs/dbraw/zinc/26/62/54/797266254.db2.gz TXTKUDKEXJNRMF-OAHLLOKOSA-N 2 1 308.426 2.328 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153400616 797334476 /nfs/dbraw/zinc/33/44/76/797334476.db2.gz QPEMNAFVYQNLJR-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153400616 797334483 /nfs/dbraw/zinc/33/44/83/797334483.db2.gz QPEMNAFVYQNLJR-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153400616 797334488 /nfs/dbraw/zinc/33/44/88/797334488.db2.gz QPEMNAFVYQNLJR-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167951 797477431 /nfs/dbraw/zinc/47/74/31/797477431.db2.gz WPTYWZNZQUIYHB-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP Cc1[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1CC#N ZINC001155462816 797762395 /nfs/dbraw/zinc/76/23/95/797762395.db2.gz PZYCSIWACRFPSN-OAHLLOKOSA-N 2 1 309.417 2.479 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156305733 797971129 /nfs/dbraw/zinc/97/11/29/797971129.db2.gz GLYZYGQBNHKFAB-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305733 797971133 /nfs/dbraw/zinc/97/11/33/797971133.db2.gz GLYZYGQBNHKFAB-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305733 797971137 /nfs/dbraw/zinc/97/11/37/797971137.db2.gz GLYZYGQBNHKFAB-QZTJIDSGSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156509831 798018754 /nfs/dbraw/zinc/01/87/54/798018754.db2.gz GEQWTJFLSOTZIU-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156509831 798018758 /nfs/dbraw/zinc/01/87/58/798018758.db2.gz GEQWTJFLSOTZIU-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001156509831 798018744 /nfs/dbraw/zinc/01/87/44/798018744.db2.gz GEQWTJFLSOTZIU-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156509831 798018749 /nfs/dbraw/zinc/01/87/49/798018749.db2.gz GEQWTJFLSOTZIU-CQSZACIVSA-N 2 1 303.878 2.297 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)CC1 ZINC001157092404 798142477 /nfs/dbraw/zinc/14/24/77/798142477.db2.gz WSNCXWGEFBINQM-QGZVFWFLSA-N 2 1 319.493 2.124 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149575 798155100 /nfs/dbraw/zinc/15/51/00/798155100.db2.gz BLSKISAWGXKURQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001197149575 798155101 /nfs/dbraw/zinc/15/51/01/798155101.db2.gz BLSKISAWGXKURQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001197149575 798155103 /nfs/dbraw/zinc/15/51/03/798155103.db2.gz BLSKISAWGXKURQ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106323 798285206 /nfs/dbraw/zinc/28/52/06/798285206.db2.gz SNGRFEPMXOGITL-OAHLLOKOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106323 798285208 /nfs/dbraw/zinc/28/52/08/798285208.db2.gz SNGRFEPMXOGITL-OAHLLOKOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158473383 798412883 /nfs/dbraw/zinc/41/28/83/798412883.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473383 798412885 /nfs/dbraw/zinc/41/28/85/798412885.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158473383 798412888 /nfs/dbraw/zinc/41/28/88/798412888.db2.gz KRLLUPHDTPUIMB-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907926 798624033 /nfs/dbraw/zinc/62/40/33/798624033.db2.gz FNSJHCUJJFXDEB-OAHLLOKOSA-N 2 1 313.873 2.242 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2[nH]ccc21 ZINC001159921312 798625692 /nfs/dbraw/zinc/62/56/92/798625692.db2.gz OJPJATYKYLUOTC-ZDUSSCGKSA-N 2 1 302.378 2.202 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2[nH]ccc2c[nH+]1 ZINC001159921549 798625893 /nfs/dbraw/zinc/62/58/93/798625893.db2.gz ZIECYQMGHVMDJX-ZDUSSCGKSA-N 2 1 302.378 2.202 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201043745 798709999 /nfs/dbraw/zinc/70/99/99/798709999.db2.gz IEGXTJAHVXYAFD-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804349 798742541 /nfs/dbraw/zinc/74/25/41/798742541.db2.gz HINREIXNVIVXGB-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161704579 798917088 /nfs/dbraw/zinc/91/70/88/798917088.db2.gz DDVWYCSWBYYTBA-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704579 798917094 /nfs/dbraw/zinc/91/70/94/798917094.db2.gz DDVWYCSWBYYTBA-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704579 798917097 /nfs/dbraw/zinc/91/70/97/798917097.db2.gz DDVWYCSWBYYTBA-QGZVFWFLSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110666861 798953949 /nfs/dbraw/zinc/95/39/49/798953949.db2.gz YHKRSZMWTAQFPM-NCOADZHNSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531830 799618434 /nfs/dbraw/zinc/61/84/34/799618434.db2.gz UCVBXCASJLNBFT-SJORKVTESA-N 2 1 319.493 2.313 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531703 799649799 /nfs/dbraw/zinc/64/97/99/799649799.db2.gz OYPTVBPMZIWICW-FXUDXRNXSA-N 2 1 314.433 2.058 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531703 799649806 /nfs/dbraw/zinc/64/98/06/799649806.db2.gz OYPTVBPMZIWICW-FXUDXRNXSA-N 2 1 314.433 2.058 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271810 799691645 /nfs/dbraw/zinc/69/16/45/799691645.db2.gz OCVNNNWEBJOTHU-GOEBONIOSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165776594 799772960 /nfs/dbraw/zinc/77/29/60/799772960.db2.gz PTWKLPZKTMHXLB-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959696 799797560 /nfs/dbraw/zinc/79/75/60/799797560.db2.gz XHTNTJJYQMAOQY-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203709737 800110231 /nfs/dbraw/zinc/11/02/31/800110231.db2.gz XZJFBXNUDOBRBZ-AWEZNQCLSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242739 800329124 /nfs/dbraw/zinc/32/91/24/800329124.db2.gz TWSLRLIIMQVFOF-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCC)CC1 ZINC001205479772 800362008 /nfs/dbraw/zinc/36/20/08/800362008.db2.gz XWANEADWZLXFNK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCC)CC1 ZINC001205479772 800362015 /nfs/dbraw/zinc/36/20/15/800362015.db2.gz XWANEADWZLXFNK-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205519129 800367394 /nfs/dbraw/zinc/36/73/94/800367394.db2.gz WOGPMDDHUUMARC-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207001204 800651699 /nfs/dbraw/zinc/65/16/99/800651699.db2.gz SRSIDVSAXTXTKG-QLFBSQMISA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207001204 800651702 /nfs/dbraw/zinc/65/17/02/800651702.db2.gz SRSIDVSAXTXTKG-QLFBSQMISA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008311 800655067 /nfs/dbraw/zinc/65/50/67/800655067.db2.gz WUNBTVFFFYAOEN-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008311 800655070 /nfs/dbraw/zinc/65/50/70/800655070.db2.gz WUNBTVFFFYAOEN-OWCLPIDISA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207396025 800743830 /nfs/dbraw/zinc/74/38/30/800743830.db2.gz AQADEDKQIILFQN-MOPGFXCFSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435039 800750860 /nfs/dbraw/zinc/75/08/60/800750860.db2.gz DWDVFTHQNRXUFZ-GOSISDBHSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](CCC2CC[NH+](C)CC2)C1 ZINC001207488044 800765760 /nfs/dbraw/zinc/76/57/60/800765760.db2.gz CWIFYALXCHAEKN-MRXNPFEDSA-N 2 1 309.454 2.095 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790379 800834224 /nfs/dbraw/zinc/83/42/24/800834224.db2.gz RFCCBXUZKKOORZ-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790379 800834231 /nfs/dbraw/zinc/83/42/31/800834231.db2.gz RFCCBXUZKKOORZ-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790379 800834238 /nfs/dbraw/zinc/83/42/38/800834238.db2.gz RFCCBXUZKKOORZ-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014490 800893521 /nfs/dbraw/zinc/89/35/21/800893521.db2.gz QRXJUPNUTBHXHK-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459908 800987195 /nfs/dbraw/zinc/98/71/95/800987195.db2.gz MIOFHRKPFZYTCC-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208604133 801026979 /nfs/dbraw/zinc/02/69/79/801026979.db2.gz LDNVKXZVQDDNFH-INIZCTEOSA-N 2 1 321.465 2.049 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208604133 801026985 /nfs/dbraw/zinc/02/69/85/801026985.db2.gz LDNVKXZVQDDNFH-INIZCTEOSA-N 2 1 321.465 2.049 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@@H+](C)C1)CCO2 ZINC001208616695 801035156 /nfs/dbraw/zinc/03/51/56/801035156.db2.gz ZYSFGTCSBARYGD-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@H+](C)C1)CCO2 ZINC001208616695 801035160 /nfs/dbraw/zinc/03/51/60/801035160.db2.gz ZYSFGTCSBARYGD-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H]1CCC[NH+](C)C1)CCO2 ZINC001208616695 801035166 /nfs/dbraw/zinc/03/51/66/801035166.db2.gz ZYSFGTCSBARYGD-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCC[NH+](C)C1)CCO2 ZINC001208616695 801035170 /nfs/dbraw/zinc/03/51/70/801035170.db2.gz ZYSFGTCSBARYGD-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759820 801064841 /nfs/dbraw/zinc/06/48/41/801064841.db2.gz VGEWGRQUFMNGBF-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209267494 801162624 /nfs/dbraw/zinc/16/26/24/801162624.db2.gz RIOMXBYJAUSMAA-RTBURBONSA-N 2 1 313.445 2.018 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209565660 801220634 /nfs/dbraw/zinc/22/06/34/801220634.db2.gz GVAYBLVEQWGRRO-ZACQAIPSSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725108 801265673 /nfs/dbraw/zinc/26/56/73/801265673.db2.gz HDRPUNKLALFTPA-QZTJIDSGSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001209725108 801265678 /nfs/dbraw/zinc/26/56/78/801265678.db2.gz HDRPUNKLALFTPA-QZTJIDSGSA-N 2 1 317.433 2.068 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001230438482 801401744 /nfs/dbraw/zinc/40/17/44/801401744.db2.gz RPJGTDPBOAZWQW-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001230438482 801401752 /nfs/dbraw/zinc/40/17/52/801401752.db2.gz RPJGTDPBOAZWQW-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230575829 801424935 /nfs/dbraw/zinc/42/49/35/801424935.db2.gz QVYYCJOBSRTXDM-QGZVFWFLSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575829 801424940 /nfs/dbraw/zinc/42/49/40/801424940.db2.gz QVYYCJOBSRTXDM-QGZVFWFLSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575829 801424942 /nfs/dbraw/zinc/42/49/42/801424942.db2.gz QVYYCJOBSRTXDM-QGZVFWFLSA-N 2 1 319.493 2.053 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335975 801704678 /nfs/dbraw/zinc/70/46/78/801704678.db2.gz PJEMYWJJUXWQCZ-ZACQAIPSSA-N 2 1 309.498 2.488 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214856088 801766756 /nfs/dbraw/zinc/76/67/56/801766756.db2.gz XFOGJHWIXUPYCQ-OAGGEKHMSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001221444905 802574887 /nfs/dbraw/zinc/57/48/87/802574887.db2.gz SBRSCVHIRKHLCR-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444905 802574894 /nfs/dbraw/zinc/57/48/94/802574894.db2.gz SBRSCVHIRKHLCR-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001221444905 802574895 /nfs/dbraw/zinc/57/48/95/802574895.db2.gz SBRSCVHIRKHLCR-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224524389 802879185 /nfs/dbraw/zinc/87/91/85/802879185.db2.gz UVHIZNIVNIFEBC-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224524389 802879186 /nfs/dbraw/zinc/87/91/86/802879186.db2.gz UVHIZNIVNIFEBC-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001227381534 803235818 /nfs/dbraw/zinc/23/58/18/803235818.db2.gz VODPUXDFZJFPJA-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227868563 803290398 /nfs/dbraw/zinc/29/03/98/803290398.db2.gz VIDCYUNHAMXSSN-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228113345 803321412 /nfs/dbraw/zinc/32/14/12/803321412.db2.gz LLQVQHAXRMPZHS-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330915977 1149332640 /nfs/dbraw/zinc/33/26/40/1149332640.db2.gz LTCANWVPTQENTM-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368411643 1148437720 /nfs/dbraw/zinc/43/77/20/1148437720.db2.gz WYGAPMUSTAUHPE-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001328766719 1148833272 /nfs/dbraw/zinc/83/32/72/1148833272.db2.gz TVMMBHGGAAEYRZ-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001500088058 1058483897 /nfs/dbraw/zinc/48/38/97/1058483897.db2.gz IPLQPURUOKYUDC-IAGOWNOFSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462546057 1058847651 /nfs/dbraw/zinc/84/76/51/1058847651.db2.gz KEMOVUGEBPPUCW-QRQLOZEOSA-N 2 1 300.446 2.261 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500547103 1058916322 /nfs/dbraw/zinc/91/63/22/1058916322.db2.gz ODKHAIVPFBGWPM-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500547103 1058916339 /nfs/dbraw/zinc/91/63/39/1058916339.db2.gz ODKHAIVPFBGWPM-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500547103 1058916358 /nfs/dbraw/zinc/91/63/58/1058916358.db2.gz ODKHAIVPFBGWPM-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001502124230 1059964467 /nfs/dbraw/zinc/96/44/67/1059964467.db2.gz NMKNHWYUFHLNOM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001502124230 1059964492 /nfs/dbraw/zinc/96/44/92/1059964492.db2.gz NMKNHWYUFHLNOM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001502124230 1059964517 /nfs/dbraw/zinc/96/45/17/1059964517.db2.gz NMKNHWYUFHLNOM-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001502406877 1060117406 /nfs/dbraw/zinc/11/74/06/1060117406.db2.gz VOAITMARXMPEOZ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001505431456 1060583305 /nfs/dbraw/zinc/58/33/05/1060583305.db2.gz WCWMGPQZWKBWHG-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505431456 1060583318 /nfs/dbraw/zinc/58/33/18/1060583318.db2.gz WCWMGPQZWKBWHG-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001505431456 1060583333 /nfs/dbraw/zinc/58/33/33/1060583333.db2.gz WCWMGPQZWKBWHG-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001505473812 1060643485 /nfs/dbraw/zinc/64/34/85/1060643485.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473812 1060643490 /nfs/dbraw/zinc/64/34/90/1060643490.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473812 1060643492 /nfs/dbraw/zinc/64/34/92/1060643492.db2.gz YQRZAKBHKFYSPV-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519482 /nfs/dbraw/zinc/51/94/82/1061519482.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519498 /nfs/dbraw/zinc/51/94/98/1061519498.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613551 1061519514 /nfs/dbraw/zinc/51/95/14/1061519514.db2.gz NEZDYSPEIZNUAH-DJIMGWMZSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479739756 1061668935 /nfs/dbraw/zinc/66/89/35/1061668935.db2.gz LCSSOLJPTDZZRM-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001506489101 1062036366 /nfs/dbraw/zinc/03/63/66/1062036366.db2.gz OHYQXZFXOCNCAQ-QZTJIDSGSA-N 2 1 321.509 2.347 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001506559029 1062129163 /nfs/dbraw/zinc/12/91/63/1062129163.db2.gz NRSOXYJKDDWILZ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001506559029 1062129172 /nfs/dbraw/zinc/12/91/72/1062129172.db2.gz NRSOXYJKDDWILZ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001506559029 1062129180 /nfs/dbraw/zinc/12/91/80/1062129180.db2.gz NRSOXYJKDDWILZ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480089215 1062311381 /nfs/dbraw/zinc/31/13/81/1062311381.db2.gz QJPJSGBORSVPIL-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480372465 1062732426 /nfs/dbraw/zinc/73/24/26/1062732426.db2.gz KWWUTZWZIXLRHV-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372465 1062732447 /nfs/dbraw/zinc/73/24/47/1062732447.db2.gz KWWUTZWZIXLRHV-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372465 1062732464 /nfs/dbraw/zinc/73/24/64/1062732464.db2.gz KWWUTZWZIXLRHV-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387878 1062779162 /nfs/dbraw/zinc/77/91/62/1062779162.db2.gz UVSVOZNXXWVCNR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962465 1063478624 /nfs/dbraw/zinc/47/86/24/1063478624.db2.gz UZXBQOOQMVGRFS-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001507962465 1063478615 /nfs/dbraw/zinc/47/86/15/1063478615.db2.gz UZXBQOOQMVGRFS-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493157700 1063609448 /nfs/dbraw/zinc/60/94/48/1063609448.db2.gz AECBPWJVDOKJIB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493157700 1063609454 /nfs/dbraw/zinc/60/94/54/1063609454.db2.gz AECBPWJVDOKJIB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001493157700 1063609465 /nfs/dbraw/zinc/60/94/65/1063609465.db2.gz AECBPWJVDOKJIB-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001508219267 1063615098 /nfs/dbraw/zinc/61/50/98/1063615098.db2.gz DRFCDLICGSHNCE-INIZCTEOSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001493213105 1063643749 /nfs/dbraw/zinc/64/37/49/1063643749.db2.gz HYVFFZKVFVWDCU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493213105 1063643751 /nfs/dbraw/zinc/64/37/51/1063643751.db2.gz HYVFFZKVFVWDCU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493213105 1063643762 /nfs/dbraw/zinc/64/37/62/1063643762.db2.gz HYVFFZKVFVWDCU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969365 1064049351 /nfs/dbraw/zinc/04/93/51/1064049351.db2.gz ZPXLKGNUWBLAIR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493969365 1064049356 /nfs/dbraw/zinc/04/93/56/1064049356.db2.gz ZPXLKGNUWBLAIR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493969365 1064049371 /nfs/dbraw/zinc/04/93/71/1064049371.db2.gz ZPXLKGNUWBLAIR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494165236 1064152621 /nfs/dbraw/zinc/15/26/21/1064152621.db2.gz CQHIXRKSOMJEPT-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001494196064 1064167974 /nfs/dbraw/zinc/16/79/74/1064167974.db2.gz NZINURUGHUYCDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001494196064 1064167958 /nfs/dbraw/zinc/16/79/58/1064167958.db2.gz NZINURUGHUYCDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001494196064 1064167968 /nfs/dbraw/zinc/16/79/68/1064167968.db2.gz NZINURUGHUYCDU-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001567445478 1064203232 /nfs/dbraw/zinc/20/32/32/1064203232.db2.gz ZZQPUMIOZISHRA-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001567445478 1064203240 /nfs/dbraw/zinc/20/32/40/1064203240.db2.gz ZZQPUMIOZISHRA-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001567445478 1064203245 /nfs/dbraw/zinc/20/32/45/1064203245.db2.gz ZZQPUMIOZISHRA-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001567660104 1064325429 /nfs/dbraw/zinc/32/54/29/1064325429.db2.gz SYXORBPJIYUMGD-IRXDYDNUSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001567687860 1064346519 /nfs/dbraw/zinc/34/65/19/1064346519.db2.gz ATUPWDZPUWAEJN-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567699521 1064357059 /nfs/dbraw/zinc/35/70/59/1064357059.db2.gz MMKXQCXMMWSNDF-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567713201 1064370934 /nfs/dbraw/zinc/37/09/34/1064370934.db2.gz YSYMDTXNZROACL-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567713201 1064370942 /nfs/dbraw/zinc/37/09/42/1064370942.db2.gz YSYMDTXNZROACL-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567713201 1064370951 /nfs/dbraw/zinc/37/09/51/1064370951.db2.gz YSYMDTXNZROACL-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001568393093 1064833544 /nfs/dbraw/zinc/83/35/44/1064833544.db2.gz CWSBHAJJQGEYHW-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001568412280 1064849583 /nfs/dbraw/zinc/84/95/83/1064849583.db2.gz QFKXBEPGMVCPCZ-SJORKVTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001568435075 1064870467 /nfs/dbraw/zinc/87/04/67/1064870467.db2.gz WROGLATXDWRONC-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001568501496 1064914985 /nfs/dbraw/zinc/91/49/85/1064914985.db2.gz OBPDDOKWKAOWJC-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001568501496 1064915002 /nfs/dbraw/zinc/91/50/02/1064915002.db2.gz OBPDDOKWKAOWJC-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001568501496 1064915011 /nfs/dbraw/zinc/91/50/11/1064915011.db2.gz OBPDDOKWKAOWJC-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C1CCCCC1 ZINC001496327522 1065409791 /nfs/dbraw/zinc/40/97/91/1065409791.db2.gz UQPRXFQWCSQZJC-KRWDZBQOSA-N 2 1 307.482 2.006 20 30 DEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001569437037 1065506452 /nfs/dbraw/zinc/50/64/52/1065506452.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001569437037 1065506458 /nfs/dbraw/zinc/50/64/58/1065506458.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001569437037 1065506473 /nfs/dbraw/zinc/50/64/73/1065506473.db2.gz OUOJPGIEQJCARB-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001569436385 1065507627 /nfs/dbraw/zinc/50/76/27/1065507627.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436385 1065507643 /nfs/dbraw/zinc/50/76/43/1065507643.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001569436385 1065507657 /nfs/dbraw/zinc/50/76/57/1065507657.db2.gz HPXHBNAZPWQMGU-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001569651636 1065651591 /nfs/dbraw/zinc/65/15/91/1065651591.db2.gz UHBYQGUZXZQFEN-SFHVURJKSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCCn2ccnc2)C1 ZINC001569726147 1065692167 /nfs/dbraw/zinc/69/21/67/1065692167.db2.gz MAYGZFFFGPTFDJ-SFHVURJKSA-N 2 1 318.465 2.458 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569820837 1065740935 /nfs/dbraw/zinc/74/09/35/1065740935.db2.gz LAUGZZOEMUPNKA-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001496861151 1065762206 /nfs/dbraw/zinc/76/22/06/1065762206.db2.gz FPAXKNHZOGKTHF-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)CC[C@@H]21 ZINC001496861151 1065762216 /nfs/dbraw/zinc/76/22/16/1065762216.db2.gz FPAXKNHZOGKTHF-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001570008108 1065875954 /nfs/dbraw/zinc/87/59/54/1065875954.db2.gz FENHCEAZUWEHLS-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001570013574 1065881157 /nfs/dbraw/zinc/88/11/57/1065881157.db2.gz NFNJJEUHABUVNE-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC001570123346 1065933013 /nfs/dbraw/zinc/93/30/13/1065933013.db2.gz QHNJYKZNKYCFLA-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570198595 1065970237 /nfs/dbraw/zinc/97/02/37/1065970237.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570198595 1065970247 /nfs/dbraw/zinc/97/02/47/1065970247.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570198595 1065970253 /nfs/dbraw/zinc/97/02/53/1065970253.db2.gz DUVCMLGONUOVAN-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284005 1066614042 /nfs/dbraw/zinc/61/40/42/1066614042.db2.gz RMNYWHICCCYCFM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498284005 1066614046 /nfs/dbraw/zinc/61/40/46/1066614046.db2.gz RMNYWHICCCYCFM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498284005 1066614051 /nfs/dbraw/zinc/61/40/51/1066614051.db2.gz RMNYWHICCCYCFM-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498409607 1066687664 /nfs/dbraw/zinc/68/76/64/1066687664.db2.gz SCFDUEYNXVVMSJ-OAHLLOKOSA-N 2 1 303.450 2.374 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498487421 1066739488 /nfs/dbraw/zinc/73/94/88/1066739488.db2.gz GHZLBVZGOYYHDQ-IRXDYDNUSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001498900957 1066947942 /nfs/dbraw/zinc/94/79/42/1066947942.db2.gz BAYPBHYQPRLFPI-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001499709766 1067307238 /nfs/dbraw/zinc/30/72/38/1067307238.db2.gz PVFLWPANBGHTHR-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H](C)C1 ZINC001499834828 1067353331 /nfs/dbraw/zinc/35/33/31/1067353331.db2.gz KFDXUAXYTNYZHU-LSDHHAIUSA-N 2 1 304.438 2.278 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001570534993 1067991374 /nfs/dbraw/zinc/99/13/74/1067991374.db2.gz UQDJFDRGOSGCRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001570534993 1067991378 /nfs/dbraw/zinc/99/13/78/1067991378.db2.gz UQDJFDRGOSGCRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001570534993 1067991384 /nfs/dbraw/zinc/99/13/84/1067991384.db2.gz UQDJFDRGOSGCRC-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001267175330 1078639110 /nfs/dbraw/zinc/63/91/10/1078639110.db2.gz SNEDWDUXAFWVDZ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267175330 1078639113 /nfs/dbraw/zinc/63/91/13/1078639113.db2.gz SNEDWDUXAFWVDZ-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570682805 1068066257 /nfs/dbraw/zinc/06/62/57/1068066257.db2.gz DRLXPIUTRHIWRI-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736013 1068103327 /nfs/dbraw/zinc/10/33/27/1068103327.db2.gz OXQFABPLAXAQHQ-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001570736013 1068103333 /nfs/dbraw/zinc/10/33/33/1068103333.db2.gz OXQFABPLAXAQHQ-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001571048696 1068176918 /nfs/dbraw/zinc/17/69/18/1068176918.db2.gz HVEKHLIRRYIKBO-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001571049216 1068177678 /nfs/dbraw/zinc/17/76/78/1068177678.db2.gz RTPNOWWWNANEGK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001571049216 1068177684 /nfs/dbraw/zinc/17/76/84/1068177684.db2.gz RTPNOWWWNANEGK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001571049216 1068177687 /nfs/dbraw/zinc/17/76/87/1068177687.db2.gz RTPNOWWWNANEGK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267293329 1078739194 /nfs/dbraw/zinc/73/91/94/1078739194.db2.gz QKIMOHASDFMUPK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001267334012 1078772620 /nfs/dbraw/zinc/77/26/20/1078772620.db2.gz UVRGZZQPUDNJJC-SJORKVTESA-N 2 1 305.466 2.160 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001329256347 1148878647 /nfs/dbraw/zinc/87/86/47/1148878647.db2.gz BQXXSJSJTKFNGO-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001267492398 1078916996 /nfs/dbraw/zinc/91/69/96/1078916996.db2.gz UVXOJKZBTSOLBR-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001267507064 1078936292 /nfs/dbraw/zinc/93/62/92/1078936292.db2.gz DSYVPCSGHGHVCP-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001483800906 1079129236 /nfs/dbraw/zinc/12/92/36/1079129236.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800906 1079129239 /nfs/dbraw/zinc/12/92/39/1079129239.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001483800906 1079129243 /nfs/dbraw/zinc/12/92/43/1079129243.db2.gz FDXRHJNKDABBBF-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001483816164 1079138991 /nfs/dbraw/zinc/13/89/91/1079138991.db2.gz QTQUFYDVABFSAX-CRAIPNDOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001483816164 1079138998 /nfs/dbraw/zinc/13/89/98/1079138998.db2.gz QTQUFYDVABFSAX-CRAIPNDOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001483816164 1079139002 /nfs/dbraw/zinc/13/90/02/1079139002.db2.gz QTQUFYDVABFSAX-CRAIPNDOSA-N 2 1 319.493 2.216 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001484002318 1079237702 /nfs/dbraw/zinc/23/77/02/1079237702.db2.gz URYGMZLCOHXIPN-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001484002317 1079238088 /nfs/dbraw/zinc/23/80/88/1079238088.db2.gz URYGMZLCOHXIPN-QZTJIDSGSA-N 2 1 319.493 2.147 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CCCC1 ZINC001484002315 1079238300 /nfs/dbraw/zinc/23/83/00/1079238300.db2.gz URYGMZLCOHXIPN-MSOLQXFVSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484055970 1079275802 /nfs/dbraw/zinc/27/58/02/1079275802.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001484055970 1079275805 /nfs/dbraw/zinc/27/58/05/1079275805.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001484055970 1079275808 /nfs/dbraw/zinc/27/58/08/1079275808.db2.gz YHBKIJQWUZWPSD-SFHVURJKSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166149 1079340876 /nfs/dbraw/zinc/34/08/76/1079340876.db2.gz DBHJTJCQVFHRFT-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001484166149 1079340882 /nfs/dbraw/zinc/34/08/82/1079340882.db2.gz DBHJTJCQVFHRFT-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001565864304 1075200436 /nfs/dbraw/zinc/20/04/36/1075200436.db2.gz OGGSMCQLEWDPEX-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267683641 1079371829 /nfs/dbraw/zinc/37/18/29/1079371829.db2.gz SHCZTCSTLRLCOX-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001566615330 1075297547 /nfs/dbraw/zinc/29/75/47/1075297547.db2.gz LEMMIEQUSVUIBA-GOSISDBHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001566719544 1075326331 /nfs/dbraw/zinc/32/63/31/1075326331.db2.gz LOSAMGGJJDRSDQ-XIRDDKMYSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001566745383 1075332697 /nfs/dbraw/zinc/33/26/97/1075332697.db2.gz LNECJXGNJOCXMR-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566745383 1075332700 /nfs/dbraw/zinc/33/27/00/1075332700.db2.gz LNECJXGNJOCXMR-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001566745383 1075332703 /nfs/dbraw/zinc/33/27/03/1075332703.db2.gz LNECJXGNJOCXMR-QGZVFWFLSA-N 2 1 309.498 2.465 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955384 1075398643 /nfs/dbraw/zinc/39/86/43/1075398643.db2.gz LTVMFILLBCJNTL-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999452 1079681039 /nfs/dbraw/zinc/68/10/39/1079681039.db2.gz WAAJQZMTDAMRHL-HOCLYGCPSA-N 2 1 318.465 2.062 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481405576 1079793775 /nfs/dbraw/zinc/79/37/75/1079793775.db2.gz JHIFNDNJTAJZAA-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481405576 1079793778 /nfs/dbraw/zinc/79/37/78/1079793778.db2.gz JHIFNDNJTAJZAA-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481405576 1079793783 /nfs/dbraw/zinc/79/37/83/1079793783.db2.gz JHIFNDNJTAJZAA-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001485080171 1079970229 /nfs/dbraw/zinc/97/02/29/1079970229.db2.gz RRPLGUWAMUYAGD-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1C ZINC001657044113 1080149450 /nfs/dbraw/zinc/14/94/50/1080149450.db2.gz OKUFANYOOZZPIE-SQNIBIBYSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001657076273 1080152536 /nfs/dbraw/zinc/15/25/36/1080152536.db2.gz VBVATEIDKAOMII-ROUUACIJSA-N 2 1 321.509 2.443 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001658524431 1080210739 /nfs/dbraw/zinc/21/07/39/1080210739.db2.gz WGIMBQPNVJIQQB-QRQLOZEOSA-N 2 1 300.446 2.403 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001658524431 1080210747 /nfs/dbraw/zinc/21/07/47/1080210747.db2.gz WGIMBQPNVJIQQB-QRQLOZEOSA-N 2 1 300.446 2.403 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253024 1080233190 /nfs/dbraw/zinc/23/31/90/1080233190.db2.gz IOOKMJGDOFEQTN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253024 1080233199 /nfs/dbraw/zinc/23/31/99/1080233199.db2.gz IOOKMJGDOFEQTN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253024 1080233204 /nfs/dbraw/zinc/23/32/04/1080233204.db2.gz IOOKMJGDOFEQTN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253023 1080233308 /nfs/dbraw/zinc/23/33/08/1080233308.db2.gz IOOKMJGDOFEQTN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268253023 1080233316 /nfs/dbraw/zinc/23/33/16/1080233316.db2.gz IOOKMJGDOFEQTN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268253023 1080233322 /nfs/dbraw/zinc/23/33/22/1080233322.db2.gz IOOKMJGDOFEQTN-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480083935 1151584659 /nfs/dbraw/zinc/58/46/59/1151584659.db2.gz IKPBHIBTTUHKOU-QZTJIDSGSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001485627041 1080340044 /nfs/dbraw/zinc/34/00/44/1080340044.db2.gz DQGWPUQHPZBHGN-NNZMDNLPSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001481747089 1080430005 /nfs/dbraw/zinc/43/00/05/1080430005.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481747089 1080430008 /nfs/dbraw/zinc/43/00/08/1080430008.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747089 1080430011 /nfs/dbraw/zinc/43/00/11/1080430011.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481747089 1080430014 /nfs/dbraw/zinc/43/00/14/1080430014.db2.gz LSKWWSVPAPAXON-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661213410 1080457106 /nfs/dbraw/zinc/45/71/06/1080457106.db2.gz QZWFTENJBWRERX-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213410 1080457110 /nfs/dbraw/zinc/45/71/10/1080457110.db2.gz QZWFTENJBWRERX-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213410 1080457114 /nfs/dbraw/zinc/45/71/14/1080457114.db2.gz QZWFTENJBWRERX-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001661455074 1080482679 /nfs/dbraw/zinc/48/26/79/1080482679.db2.gz GDYNKMXUNDBRPL-WKILWMFISA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977885 1080554115 /nfs/dbraw/zinc/55/41/15/1080554115.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977885 1080554122 /nfs/dbraw/zinc/55/41/22/1080554122.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977885 1080554128 /nfs/dbraw/zinc/55/41/28/1080554128.db2.gz PUKGSHGSCZKSEE-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001662838847 1080665753 /nfs/dbraw/zinc/66/57/53/1080665753.db2.gz KMAHNMQUXGQRPV-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001662838847 1080665758 /nfs/dbraw/zinc/66/57/58/1080665758.db2.gz KMAHNMQUXGQRPV-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001662838847 1080665762 /nfs/dbraw/zinc/66/57/62/1080665762.db2.gz KMAHNMQUXGQRPV-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001482017239 1080690937 /nfs/dbraw/zinc/69/09/37/1080690937.db2.gz WXUFRMDNDNKWPE-WKILWMFISA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001482158861 1080867618 /nfs/dbraw/zinc/86/76/18/1080867618.db2.gz IDUAVRYMWFNICA-SJLPKXTDSA-N 2 1 315.461 2.045 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001664599519 1080931626 /nfs/dbraw/zinc/93/16/26/1080931626.db2.gz SHEMCDWOYPDXOW-FUHWJXTLSA-N 2 1 315.461 2.351 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001664726394 1080950037 /nfs/dbraw/zinc/95/00/37/1080950037.db2.gz JUEHXAUUWQICTH-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664873638 1080974920 /nfs/dbraw/zinc/97/49/20/1080974920.db2.gz JAEUOBFHOYBKFA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001664873638 1080974928 /nfs/dbraw/zinc/97/49/28/1080974928.db2.gz JAEUOBFHOYBKFA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001664873638 1080974935 /nfs/dbraw/zinc/97/49/35/1080974935.db2.gz JAEUOBFHOYBKFA-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001666158313 1081128930 /nfs/dbraw/zinc/12/89/30/1081128930.db2.gz YHLVXYOMLZRUAB-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001666379682 1081149013 /nfs/dbraw/zinc/14/90/13/1081149013.db2.gz USTOGWORUTXTCR-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001666808899 1081182649 /nfs/dbraw/zinc/18/26/49/1081182649.db2.gz SCGJCDCMJCGAOU-QGZVFWFLSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001667302379 1081235066 /nfs/dbraw/zinc/23/50/66/1081235066.db2.gz WRUXIQABFRRBDB-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269754863 1081357595 /nfs/dbraw/zinc/35/75/95/1081357595.db2.gz HGFMFWVNNLYOGQ-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000950727053 1081401987 /nfs/dbraw/zinc/40/19/87/1081401987.db2.gz HBVZEQMVMHXMQJ-UHFFFAOYSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CCCC1 ZINC001671555391 1081523303 /nfs/dbraw/zinc/52/33/03/1081523303.db2.gz ZCIULVRCIXFSIG-MRXNPFEDSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001270784829 1081712495 /nfs/dbraw/zinc/71/24/95/1081712495.db2.gz FZLPJWHREPFQKE-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111406889 1081817853 /nfs/dbraw/zinc/81/78/53/1081817853.db2.gz FNOVQQOCNZTZGM-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406889 1081817858 /nfs/dbraw/zinc/81/78/58/1081817858.db2.gz FNOVQQOCNZTZGM-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406889 1081817864 /nfs/dbraw/zinc/81/78/64/1081817864.db2.gz FNOVQQOCNZTZGM-MLHJIOFPSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271006937 1081873267 /nfs/dbraw/zinc/87/32/67/1081873267.db2.gz FCGVFWPURBTVLR-LJQANCHMSA-N 2 1 319.493 2.104 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468214 1082056877 /nfs/dbraw/zinc/05/68/77/1082056877.db2.gz MDQYOJAHURUDDS-IRXDYDNUSA-N 2 1 316.449 2.074 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266513974 1082094927 /nfs/dbraw/zinc/09/49/27/1082094927.db2.gz JTJRODFFMVJMTI-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001482506594 1082128620 /nfs/dbraw/zinc/12/86/20/1082128620.db2.gz DYHXNSQLCYSKMS-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266565385 1082163123 /nfs/dbraw/zinc/16/31/23/1082163123.db2.gz WAHYFNLORVEYJV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266565385 1082163125 /nfs/dbraw/zinc/16/31/25/1082163125.db2.gz WAHYFNLORVEYJV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266565385 1082163131 /nfs/dbraw/zinc/16/31/31/1082163131.db2.gz WAHYFNLORVEYJV-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001271839038 1082169606 /nfs/dbraw/zinc/16/96/06/1082169606.db2.gz PVLPNZRXKBOLAC-FUHWJXTLSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001266592760 1082180347 /nfs/dbraw/zinc/18/03/47/1082180347.db2.gz ZOTFRKTXASWSFM-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266889007 1082431822 /nfs/dbraw/zinc/43/18/22/1082431822.db2.gz AOCPVEYMPIOXIT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482661963 1082441214 /nfs/dbraw/zinc/44/12/14/1082441214.db2.gz IEBNBCSMCSWSET-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001272085418 1082447808 /nfs/dbraw/zinc/44/78/08/1082447808.db2.gz NUQLSERRWLTMDN-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001272085418 1082447809 /nfs/dbraw/zinc/44/78/09/1082447809.db2.gz NUQLSERRWLTMDN-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001272085418 1082447813 /nfs/dbraw/zinc/44/78/13/1082447813.db2.gz NUQLSERRWLTMDN-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001272092762 1082464955 /nfs/dbraw/zinc/46/49/55/1082464955.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001272092762 1082464958 /nfs/dbraw/zinc/46/49/58/1082464958.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001272092762 1082464961 /nfs/dbraw/zinc/46/49/61/1082464961.db2.gz INUKJVWLTKOTFJ-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001283297353 1082470228 /nfs/dbraw/zinc/47/02/28/1082470228.db2.gz XZTLMYSIBMIIOA-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483051706 1082663789 /nfs/dbraw/zinc/66/37/89/1082663789.db2.gz XCLUFWLZGALBLQ-DVBCCOPCSA-N 2 1 317.477 2.069 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001276887129 1083664956 /nfs/dbraw/zinc/66/49/56/1083664956.db2.gz VLZVIMMHAQLCSP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001276887129 1083664962 /nfs/dbraw/zinc/66/49/62/1083664962.db2.gz VLZVIMMHAQLCSP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001276887129 1083664969 /nfs/dbraw/zinc/66/49/69/1083664969.db2.gz VLZVIMMHAQLCSP-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277280156 1083891851 /nfs/dbraw/zinc/89/18/51/1083891851.db2.gz NNEIRKFWGPRXQN-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001281557293 1084086689 /nfs/dbraw/zinc/08/66/89/1084086689.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557293 1084086698 /nfs/dbraw/zinc/08/66/98/1084086698.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001281557293 1084086708 /nfs/dbraw/zinc/08/67/08/1084086708.db2.gz OKNFZJMSVOMYBB-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001277735177 1084119738 /nfs/dbraw/zinc/11/97/38/1084119738.db2.gz LVIWHCAFWWQTTO-ROUUACIJSA-N 2 1 315.461 2.302 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001491561425 1084156366 /nfs/dbraw/zinc/15/63/66/1084156366.db2.gz VUUUIGQAYRDKQP-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235340325 1084398578 /nfs/dbraw/zinc/39/85/78/1084398578.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235340325 1084398590 /nfs/dbraw/zinc/39/85/90/1084398590.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235340325 1084398602 /nfs/dbraw/zinc/39/86/02/1084398602.db2.gz ZKMVBFSBRXERRW-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP N#CCC[NH+]1CCC2(CCC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277939417 1084404972 /nfs/dbraw/zinc/40/49/72/1084404972.db2.gz RHZSLDHDAJSPGH-UHFFFAOYSA-N 2 1 314.433 2.379 20 30 DEEDMP N#CCC[NH+]1CCC2(CCC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277939417 1084404981 /nfs/dbraw/zinc/40/49/81/1084404981.db2.gz RHZSLDHDAJSPGH-UHFFFAOYSA-N 2 1 314.433 2.379 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485960619 1085022045 /nfs/dbraw/zinc/02/20/45/1085022045.db2.gz JGDLGTSKPVDXAO-DOTOQJQBSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001486412003 1085282884 /nfs/dbraw/zinc/28/28/84/1085282884.db2.gz UIBFVXMZMMGZOK-HZPDHXFCSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494159714 1085369752 /nfs/dbraw/zinc/36/97/52/1085369752.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494159714 1085369757 /nfs/dbraw/zinc/36/97/57/1085369757.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494159714 1085369764 /nfs/dbraw/zinc/36/97/64/1085369764.db2.gz MICQMKMZLHJHHX-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424720 1085603705 /nfs/dbraw/zinc/60/37/05/1085603705.db2.gz PECOMWHWKYBEIY-HGWOHTHGSA-N 2 1 317.477 2.206 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216961 1085640959 /nfs/dbraw/zinc/64/09/59/1085640959.db2.gz BPMNSNIXNKUAFZ-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273128106 1086289792 /nfs/dbraw/zinc/28/97/92/1086289792.db2.gz NLJNXFQNTSEBCX-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417579 1086447878 /nfs/dbraw/zinc/44/78/78/1086447878.db2.gz NXTXQIBUGDEVFH-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000963677969 1086536369 /nfs/dbraw/zinc/53/63/69/1086536369.db2.gz PTHQSQBAFMWNBR-UHFFFAOYSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273145810 1086994203 /nfs/dbraw/zinc/99/42/03/1086994203.db2.gz YPMXXAALWNYQAL-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000957117892 1088043192 /nfs/dbraw/zinc/04/31/92/1088043192.db2.gz LOYMEJAIFCINOK-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079845150 1088445798 /nfs/dbraw/zinc/44/57/98/1088445798.db2.gz OJGSXOPPEYSQTG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845150 1088445808 /nfs/dbraw/zinc/44/58/08/1088445808.db2.gz OJGSXOPPEYSQTG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845150 1088445814 /nfs/dbraw/zinc/44/58/14/1088445814.db2.gz OJGSXOPPEYSQTG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602596 1088450866 /nfs/dbraw/zinc/45/08/66/1088450866.db2.gz ASJTUQGTIMBXEY-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001080052707 1088585420 /nfs/dbraw/zinc/58/54/20/1088585420.db2.gz OMZQWJHYFDBIAN-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001080998848 1089272453 /nfs/dbraw/zinc/27/24/53/1089272453.db2.gz PVSOXTHUIMWKES-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001080998848 1089272468 /nfs/dbraw/zinc/27/24/68/1089272468.db2.gz PVSOXTHUIMWKES-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001080998848 1089272484 /nfs/dbraw/zinc/27/24/84/1089272484.db2.gz PVSOXTHUIMWKES-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699759 1090054937 /nfs/dbraw/zinc/05/49/37/1090054937.db2.gz WJUKRNHTHLLZNG-KBAYOESNSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701374 1090403049 /nfs/dbraw/zinc/40/30/49/1090403049.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701374 1090403050 /nfs/dbraw/zinc/40/30/50/1090403050.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701374 1090403053 /nfs/dbraw/zinc/40/30/53/1090403053.db2.gz ASJMSOSWMONJIV-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853359 1090476677 /nfs/dbraw/zinc/47/66/77/1090476677.db2.gz KJZLZUOPLXKEKD-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084944046 1090531883 /nfs/dbraw/zinc/53/18/83/1090531883.db2.gz OWVWFAFZPOEXBK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084944046 1090531889 /nfs/dbraw/zinc/53/18/89/1090531889.db2.gz OWVWFAFZPOEXBK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084944046 1090531893 /nfs/dbraw/zinc/53/18/93/1090531893.db2.gz OWVWFAFZPOEXBK-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]21 ZINC001084963437 1090547244 /nfs/dbraw/zinc/54/72/44/1090547244.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21 ZINC001084963437 1090547247 /nfs/dbraw/zinc/54/72/47/1090547247.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21 ZINC001084963437 1090547252 /nfs/dbraw/zinc/54/72/52/1090547252.db2.gz UZKVXSVNBYWYMT-ANQUJSFKSA-N 2 1 314.433 2.012 20 30 DEEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001274368525 1091210239 /nfs/dbraw/zinc/21/02/39/1091210239.db2.gz PPFLOAFXWKBQRO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274919763 1091478318 /nfs/dbraw/zinc/47/83/18/1091478318.db2.gz QTWMZAKPHXCZAV-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C#Cc1cccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276096352 1091548233 /nfs/dbraw/zinc/54/82/33/1091548233.db2.gz HORXEXSTJACDKN-UHFFFAOYSA-N 2 1 311.473 2.127 20 30 DEEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579726 /nfs/dbraw/zinc/57/97/26/1091579726.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 2 1 312.461 2.451 20 30 DEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579736 /nfs/dbraw/zinc/57/97/36/1091579736.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 2 1 312.461 2.451 20 30 DEEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)cc1C#N ZINC001275137158 1091579747 /nfs/dbraw/zinc/57/97/47/1091579747.db2.gz QHCNZYYPMYFPRD-HDICACEKSA-N 2 1 312.461 2.451 20 30 DEEDMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001275290434 1091653839 /nfs/dbraw/zinc/65/38/39/1091653839.db2.gz LLHCKBLSAKWQIJ-YQQQUEKLSA-N 2 1 312.461 2.205 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948738817 1091908692 /nfs/dbraw/zinc/90/86/92/1091908692.db2.gz NUXLELKVZPUKLR-QGZVFWFLSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858733 1092240646 /nfs/dbraw/zinc/24/06/46/1092240646.db2.gz OQCBAMLTBXLNPN-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275975426 1092415465 /nfs/dbraw/zinc/41/54/65/1092415465.db2.gz CFKAJTOEEMWPRK-LJQANCHMSA-N 2 1 314.477 2.475 20 30 DEEDMP C#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275975426 1092415472 /nfs/dbraw/zinc/41/54/72/1092415472.db2.gz CFKAJTOEEMWPRK-LJQANCHMSA-N 2 1 314.477 2.475 20 30 DEEDMP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420426 /nfs/dbraw/zinc/42/04/26/1092420426.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 2 1 313.445 2.344 20 30 DEEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420431 /nfs/dbraw/zinc/42/04/31/1092420431.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 2 1 313.445 2.344 20 30 DEEDMP C#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001275975990 1092420435 /nfs/dbraw/zinc/42/04/35/1092420435.db2.gz VCHMABHWXSKDHA-CALCHBBNSA-N 2 1 313.445 2.344 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488771979 1092743200 /nfs/dbraw/zinc/74/32/00/1092743200.db2.gz JNLSEEUTQJXTER-TWMKSMIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001274111424 1093803055 /nfs/dbraw/zinc/80/30/55/1093803055.db2.gz ZAHVOLHOROXQEM-QGZVFWFLSA-N 2 1 324.428 2.239 20 30 DEEDMP C=CCn1cnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759860 1151775741 /nfs/dbraw/zinc/77/57/41/1151775741.db2.gz HFIJXECKRRWCIF-KKUMJFAQSA-N 2 1 321.494 2.220 20 30 DEEDMP C=CCn1cnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001352759860 1151775745 /nfs/dbraw/zinc/77/57/45/1151775745.db2.gz HFIJXECKRRWCIF-KKUMJFAQSA-N 2 1 321.494 2.220 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001316662817 1139875872 /nfs/dbraw/zinc/87/58/72/1139875872.db2.gz QFAUCRBYVFAGMS-JKSUJKDBSA-N 2 1 318.465 2.457 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316667124 1140165891 /nfs/dbraw/zinc/16/58/91/1140165891.db2.gz PFNMDBZTEDXGGN-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491604051 1140244254 /nfs/dbraw/zinc/24/42/54/1140244254.db2.gz XUEFPGWVRHALAW-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491734564 1140290859 /nfs/dbraw/zinc/29/08/59/1140290859.db2.gz DZOXJYLXAMLZAN-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318415029 1140320931 /nfs/dbraw/zinc/32/09/31/1140320931.db2.gz HPBFXGVAMPAYDL-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001318822622 1140428207 /nfs/dbraw/zinc/42/82/07/1140428207.db2.gz BYFRAXBTXRZRJA-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001319460456 1140583158 /nfs/dbraw/zinc/58/31/58/1140583158.db2.gz MTSAPJSGDGZUQD-LSDHHAIUSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001323735860 1141881898 /nfs/dbraw/zinc/88/18/98/1141881898.db2.gz FGAPLTFKYWJWJV-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001323735860 1141881900 /nfs/dbraw/zinc/88/19/00/1141881900.db2.gz FGAPLTFKYWJWJV-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001323735860 1141881903 /nfs/dbraw/zinc/88/19/03/1141881903.db2.gz FGAPLTFKYWJWJV-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP CCCCCCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324003297 1141949640 /nfs/dbraw/zinc/94/96/40/1141949640.db2.gz GDJBGAJERLJEAC-UHFFFAOYSA-N 2 1 307.482 2.195 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001324097489 1142006479 /nfs/dbraw/zinc/00/64/79/1142006479.db2.gz JZTIMNXASRRETC-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001324260268 1142042719 /nfs/dbraw/zinc/04/27/19/1142042719.db2.gz GFRQJQOIUVEBDU-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCC1 ZINC001324470878 1142083788 /nfs/dbraw/zinc/08/37/88/1142083788.db2.gz SUJBEHNOFNLNPD-RCCFBDPRSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552195 1142759889 /nfs/dbraw/zinc/75/98/89/1142759889.db2.gz HSHMSPKMIOHUJF-CEXWTWQISA-N 2 1 300.446 2.296 20 30 DEEDMP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552195 1142759897 /nfs/dbraw/zinc/75/98/97/1142759897.db2.gz HSHMSPKMIOHUJF-CEXWTWQISA-N 2 1 300.446 2.296 20 30 DEEDMP C=C[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001252552195 1142759904 /nfs/dbraw/zinc/75/99/04/1142759904.db2.gz HSHMSPKMIOHUJF-CEXWTWQISA-N 2 1 300.446 2.296 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252945038 1142832571 /nfs/dbraw/zinc/83/25/71/1142832571.db2.gz WHWWQDCWFWNJKV-WDSOQIARSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252945038 1142832572 /nfs/dbraw/zinc/83/25/72/1142832572.db2.gz WHWWQDCWFWNJKV-WDSOQIARSA-N 2 1 313.445 2.295 20 30 DEEDMP C=C[C@H](O)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001253586738 1142883024 /nfs/dbraw/zinc/88/30/24/1142883024.db2.gz QWXUBHCURXNILB-ZWJWXYIHSA-N 2 1 302.462 2.428 20 30 DEEDMP C=C[C@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001253586738 1142883025 /nfs/dbraw/zinc/88/30/25/1142883025.db2.gz QWXUBHCURXNILB-ZWJWXYIHSA-N 2 1 302.462 2.428 20 30 DEEDMP C=C[C@H](O)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001253586738 1142883026 /nfs/dbraw/zinc/88/30/26/1142883026.db2.gz QWXUBHCURXNILB-ZWJWXYIHSA-N 2 1 302.462 2.428 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@H+](C)CC3)C2)CC1 ZINC001254516752 1143174973 /nfs/dbraw/zinc/17/49/73/1143174973.db2.gz OPCXOSQQPAMTFI-MRXNPFEDSA-N 2 1 321.465 2.191 20 30 DEEDMP C#CCN1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255408109 1143597531 /nfs/dbraw/zinc/59/75/31/1143597531.db2.gz IDZYAPMTOCGSDQ-FQEVSTJZSA-N 2 1 311.473 2.292 20 30 DEEDMP C#CCN1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408109 1143597547 /nfs/dbraw/zinc/59/75/47/1143597547.db2.gz IDZYAPMTOCGSDQ-FQEVSTJZSA-N 2 1 311.473 2.292 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001278963062 1143866596 /nfs/dbraw/zinc/86/65/96/1143866596.db2.gz WHLYRHWQKWFQOT-CVEARBPZSA-N 2 1 307.482 2.003 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001263873671 1144418308 /nfs/dbraw/zinc/41/83/08/1144418308.db2.gz BWOAKRQMFUIOOJ-WKILWMFISA-N 2 1 318.465 2.457 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001263936658 1144426524 /nfs/dbraw/zinc/42/65/24/1144426524.db2.gz JAVBSJPEQNFEFM-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001264380954 1144522237 /nfs/dbraw/zinc/52/22/37/1144522237.db2.gz UITPFWMMZZPLMH-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001265073124 1144637190 /nfs/dbraw/zinc/63/71/90/1144637190.db2.gz QPGZUGVZLNZWAF-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001265073124 1144637193 /nfs/dbraw/zinc/63/71/93/1144637193.db2.gz QPGZUGVZLNZWAF-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001265073124 1144637196 /nfs/dbraw/zinc/63/71/96/1144637196.db2.gz QPGZUGVZLNZWAF-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001265073124 1144637198 /nfs/dbraw/zinc/63/71/98/1144637198.db2.gz QPGZUGVZLNZWAF-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001265177400 1144661179 /nfs/dbraw/zinc/66/11/79/1144661179.db2.gz RGPYSVQNNIGNND-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265177400 1144661181 /nfs/dbraw/zinc/66/11/81/1144661181.db2.gz RGPYSVQNNIGNND-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001265177400 1144661183 /nfs/dbraw/zinc/66/11/83/1144661183.db2.gz RGPYSVQNNIGNND-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265233292 1144673459 /nfs/dbraw/zinc/67/34/59/1144673459.db2.gz QDYCGNYGMOQOLX-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001265235792 1144674265 /nfs/dbraw/zinc/67/42/65/1144674265.db2.gz WDQQXTQQIWKBAW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001265235792 1144674268 /nfs/dbraw/zinc/67/42/68/1144674268.db2.gz WDQQXTQQIWKBAW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001265235792 1144674270 /nfs/dbraw/zinc/67/42/70/1144674270.db2.gz WDQQXTQQIWKBAW-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001265374499 1144699365 /nfs/dbraw/zinc/69/93/65/1144699365.db2.gz NTCLXELOLPTGJU-IAGOWNOFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265587143 1144715244 /nfs/dbraw/zinc/71/52/44/1144715244.db2.gz WWBRPQQEVMMZIA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265587143 1144715245 /nfs/dbraw/zinc/71/52/45/1144715245.db2.gz WWBRPQQEVMMZIA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265587143 1144715246 /nfs/dbraw/zinc/71/52/46/1144715246.db2.gz WWBRPQQEVMMZIA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265734908 1144735760 /nfs/dbraw/zinc/73/57/60/1144735760.db2.gz HTCFUPBJYCHJLO-RDHHWEPZSA-N 2 1 307.482 2.310 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266225312 1144816357 /nfs/dbraw/zinc/81/63/57/1144816357.db2.gz MKWPMFSQFGJLHX-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266225312 1144816358 /nfs/dbraw/zinc/81/63/58/1144816358.db2.gz MKWPMFSQFGJLHX-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001266225312 1144816359 /nfs/dbraw/zinc/81/63/59/1144816359.db2.gz MKWPMFSQFGJLHX-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001266225312 1144816360 /nfs/dbraw/zinc/81/63/60/1144816360.db2.gz MKWPMFSQFGJLHX-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576889 1144824938 /nfs/dbraw/zinc/82/49/38/1144824938.db2.gz QHRDCERTCGBMCU-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001279576889 1144824939 /nfs/dbraw/zinc/82/49/39/1144824939.db2.gz QHRDCERTCGBMCU-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001279587489 1144825355 /nfs/dbraw/zinc/82/53/55/1144825355.db2.gz MWPFWCQCCZUQOQ-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001279587489 1144825357 /nfs/dbraw/zinc/82/53/57/1144825357.db2.gz MWPFWCQCCZUQOQ-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001279587489 1144825358 /nfs/dbraw/zinc/82/53/58/1144825358.db2.gz MWPFWCQCCZUQOQ-KZNAEPCWSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001279618770 1144826008 /nfs/dbraw/zinc/82/60/08/1144826008.db2.gz NHCXHZWVAOMVET-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001279618770 1144826009 /nfs/dbraw/zinc/82/60/09/1144826009.db2.gz NHCXHZWVAOMVET-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001280051396 1144831428 /nfs/dbraw/zinc/83/14/28/1144831428.db2.gz JSGMRFYBWAVHAN-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228578 /nfs/dbraw/zinc/22/85/78/1145228578.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 2 1 321.509 2.321 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228583 /nfs/dbraw/zinc/22/85/83/1145228583.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 2 1 321.509 2.321 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001282993102 1145228592 /nfs/dbraw/zinc/22/85/92/1145228592.db2.gz SLUUTIQDXNLXTN-KDURUIRLSA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001283333716 1145366437 /nfs/dbraw/zinc/36/64/37/1145366437.db2.gz AFKKNYQSJXCJCL-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001284057614 1145778166 /nfs/dbraw/zinc/77/81/66/1145778166.db2.gz NHBZKSZNLOTZIQ-WMZOPIPTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284057614 1145778177 /nfs/dbraw/zinc/77/81/77/1145778177.db2.gz NHBZKSZNLOTZIQ-WMZOPIPTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001284057614 1145778189 /nfs/dbraw/zinc/77/81/89/1145778189.db2.gz NHBZKSZNLOTZIQ-WMZOPIPTSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001284700118 1145892396 /nfs/dbraw/zinc/89/23/96/1145892396.db2.gz PHZBXSMVOPFUQI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001284700120 1145892408 /nfs/dbraw/zinc/89/24/08/1145892408.db2.gz PHZBXSMVOPFUQI-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001316638894 1146118435 /nfs/dbraw/zinc/11/84/35/1146118435.db2.gz HRMDCXNOXUEAAF-DWRORGKVSA-N 2 1 319.493 2.311 20 30 DEEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001491947873 1147014219 /nfs/dbraw/zinc/01/42/19/1147014219.db2.gz YMFLMAQZWPKEAC-SJORKVTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001316923685 1147632287 /nfs/dbraw/zinc/63/22/87/1147632287.db2.gz VJPXMRPOTQAFFB-UHFFFAOYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001317325331 1147691064 /nfs/dbraw/zinc/69/10/64/1147691064.db2.gz GELSFDTYPUFPKE-OAHLLOKOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317376514 1147698989 /nfs/dbraw/zinc/69/89/89/1147698989.db2.gz PQFGQMGEKQDLBH-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376514 1147698991 /nfs/dbraw/zinc/69/89/91/1147698991.db2.gz PQFGQMGEKQDLBH-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376514 1147698993 /nfs/dbraw/zinc/69/89/93/1147698993.db2.gz PQFGQMGEKQDLBH-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317379098 1147699517 /nfs/dbraw/zinc/69/95/17/1147699517.db2.gz KVBYQWIFVNYGKZ-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CCCC ZINC001317424440 1147705549 /nfs/dbraw/zinc/70/55/49/1147705549.db2.gz QNWYACJKWZHQKQ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CCCC ZINC001317424440 1147705550 /nfs/dbraw/zinc/70/55/50/1147705550.db2.gz QNWYACJKWZHQKQ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC ZINC001317424440 1147705552 /nfs/dbraw/zinc/70/55/52/1147705552.db2.gz QNWYACJKWZHQKQ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC ZINC001317424440 1147705554 /nfs/dbraw/zinc/70/55/54/1147705554.db2.gz QNWYACJKWZHQKQ-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317714978 1147746558 /nfs/dbraw/zinc/74/65/58/1147746558.db2.gz KGWZAEZXBFRYDZ-SJORKVTESA-N 2 1 301.434 2.104 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317842538 1147756981 /nfs/dbraw/zinc/75/69/81/1147756981.db2.gz TYZONKQSJBGOLB-MRXNPFEDSA-N 2 1 324.428 2.060 20 30 DEEDMP CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317992220 1147764984 /nfs/dbraw/zinc/76/49/84/1147764984.db2.gz XTUYUZNCLHKMAI-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317992220 1147764986 /nfs/dbraw/zinc/76/49/86/1147764986.db2.gz XTUYUZNCLHKMAI-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317992220 1147764987 /nfs/dbraw/zinc/76/49/87/1147764987.db2.gz XTUYUZNCLHKMAI-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318214941 1147799583 /nfs/dbraw/zinc/79/95/83/1147799583.db2.gz CCPRFRSLUHFBSP-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324786792 1147844440 /nfs/dbraw/zinc/84/44/40/1147844440.db2.gz ALDWTOSGMNBVQC-GOSISDBHSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324943368 1147860470 /nfs/dbraw/zinc/86/04/70/1147860470.db2.gz GWVDSKOZPULWNP-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324943368 1147860471 /nfs/dbraw/zinc/86/04/71/1147860471.db2.gz GWVDSKOZPULWNP-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001325779298 1147999206 /nfs/dbraw/zinc/99/92/06/1147999206.db2.gz QKDKSMGTIIIFND-HDICACEKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001325942857 1148022329 /nfs/dbraw/zinc/02/23/29/1148022329.db2.gz PYUQLQUIZIRTOG-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001325942857 1148022334 /nfs/dbraw/zinc/02/23/34/1148022334.db2.gz PYUQLQUIZIRTOG-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001325942857 1148022337 /nfs/dbraw/zinc/02/23/37/1148022337.db2.gz PYUQLQUIZIRTOG-XMTFNYHQSA-N 2 1 319.493 2.216 20 30 DEEDMP C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633087 529844290 /nfs/dbraw/zinc/84/42/90/529844290.db2.gz USUDWSMCAHEKKX-QGZVFWFLSA-N 2 1 306.498 2.417 20 30 DEEDMP CN1CC[NH+]=C1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000262652629 530008433 /nfs/dbraw/zinc/00/84/33/530008433.db2.gz KTTLDFXPJJTTET-UHFFFAOYSA-N 2 1 312.417 2.303 20 30 DEEDMP CN1CC[NH+]=C1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000262652629 530008435 /nfs/dbraw/zinc/00/84/35/530008435.db2.gz KTTLDFXPJJTTET-UHFFFAOYSA-N 2 1 312.417 2.303 20 30 DEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1ccc(Cl)cc1 ZINC000073762066 354980000 /nfs/dbraw/zinc/98/00/00/354980000.db2.gz BEARFQYDQZPMCQ-CQSZACIVSA-N 2 1 308.857 2.299 20 30 DEEDMP CN(C)c1ncc(CNCc2ccc(C#N)c(Cl)c2)n1C ZINC000591415794 357718935 /nfs/dbraw/zinc/71/89/35/357718935.db2.gz YTRBRSAOKYYULH-UHFFFAOYSA-N 2 1 303.797 2.301 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718778 358325063 /nfs/dbraw/zinc/32/50/63/358325063.db2.gz TZVZMMNUVZEFLV-HXUWFJFHSA-N 2 1 323.440 2.183 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718778 358325067 /nfs/dbraw/zinc/32/50/67/358325067.db2.gz TZVZMMNUVZEFLV-HXUWFJFHSA-N 2 1 323.440 2.183 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180995456 199238501 /nfs/dbraw/zinc/23/85/01/199238501.db2.gz ULOHGFZTYIUNGU-INIZCTEOSA-N 2 1 311.385 2.008 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180995456 199238502 /nfs/dbraw/zinc/23/85/02/199238502.db2.gz ULOHGFZTYIUNGU-INIZCTEOSA-N 2 1 311.385 2.008 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC001088860271 781958664 /nfs/dbraw/zinc/95/86/64/781958664.db2.gz DDGYUMMXFHPGIN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860271 781958670 /nfs/dbraw/zinc/95/86/70/781958670.db2.gz DDGYUMMXFHPGIN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001088860271 781958679 /nfs/dbraw/zinc/95/86/79/781958679.db2.gz DDGYUMMXFHPGIN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000289507046 221026685 /nfs/dbraw/zinc/02/66/85/221026685.db2.gz UGBABXRPWIDXST-HNNXBMFYSA-N 2 1 320.506 2.468 20 30 DEEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000121149951 195299708 /nfs/dbraw/zinc/29/97/08/195299708.db2.gz GEMASCRZEKYWOJ-CYBMUJFWSA-N 2 1 307.463 2.144 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000121044555 402012021 /nfs/dbraw/zinc/01/20/21/402012021.db2.gz CAMPXXMLSSPWIO-AEFFLSMTSA-N 2 1 318.461 2.038 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000106245215 402212441 /nfs/dbraw/zinc/21/24/41/402212441.db2.gz POZBOUXBHCRDHE-UHFFFAOYSA-N 2 1 304.390 2.251 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000181316822 402641108 /nfs/dbraw/zinc/64/11/08/402641108.db2.gz ZUCOELMSZGDTFM-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181316822 402641110 /nfs/dbraw/zinc/64/11/10/402641110.db2.gz ZUCOELMSZGDTFM-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181316822 402641111 /nfs/dbraw/zinc/64/11/11/402641111.db2.gz ZUCOELMSZGDTFM-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000172264945 402647157 /nfs/dbraw/zinc/64/71/57/402647157.db2.gz LQYVPRNZPQKSMZ-QGZVFWFLSA-N 2 1 322.497 2.201 20 30 DEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266941490 403001606 /nfs/dbraw/zinc/00/16/06/403001606.db2.gz RKYOPCNBAGXERL-DZGCQCFKSA-N 2 1 323.400 2.488 20 30 DEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266941490 403001608 /nfs/dbraw/zinc/00/16/08/403001608.db2.gz RKYOPCNBAGXERL-DZGCQCFKSA-N 2 1 323.400 2.488 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000281770551 403089905 /nfs/dbraw/zinc/08/99/05/403089905.db2.gz MFXIXIBJTXYGAD-UHFFFAOYSA-N 2 1 317.481 2.056 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(CC#N)cc1 ZINC000342724052 403322907 /nfs/dbraw/zinc/32/29/07/403322907.db2.gz DFFUGWGLOJTWMF-GUDVDZBRSA-N 2 1 313.445 2.436 20 30 DEEDMP CN(CCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)CC[NH+](C)C ZINC000288797635 403771761 /nfs/dbraw/zinc/77/17/61/403771761.db2.gz CSNICXBEXJQISP-UHFFFAOYSA-N 2 1 306.429 2.013 20 30 DEEDMP C=CCN1CC[C@@H]([NH+]2CCC(C[N@H+](C)CCCC)CC2)C1=O ZINC000337129334 403967175 /nfs/dbraw/zinc/96/71/75/403967175.db2.gz IKRIIAYXKAZZHT-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290096990 404039216 /nfs/dbraw/zinc/03/92/16/404039216.db2.gz WISTXTWGMFPGEZ-QGZVFWFLSA-N 2 1 304.434 2.138 20 30 DEEDMP N#Cc1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000344555979 404224392 /nfs/dbraw/zinc/22/43/92/404224392.db2.gz YPRPTTNCANDKEQ-HXUWFJFHSA-N 2 1 321.424 2.285 20 30 DEEDMP CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329154629 404247186 /nfs/dbraw/zinc/24/71/86/404247186.db2.gz CAVBFUPYVUGGSU-MYSGWJLTSA-N 2 1 304.438 2.192 20 30 DEEDMP Cc1ncc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329784018 404450904 /nfs/dbraw/zinc/45/09/04/404450904.db2.gz OYWIJPJYANZTLU-KBPBESRZSA-N 2 1 302.422 2.195 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329784018 404450914 /nfs/dbraw/zinc/45/09/14/404450914.db2.gz OYWIJPJYANZTLU-KBPBESRZSA-N 2 1 302.422 2.195 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329784018 404450919 /nfs/dbraw/zinc/45/09/19/404450919.db2.gz OYWIJPJYANZTLU-KBPBESRZSA-N 2 1 302.422 2.195 20 30 DEEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330084544 404547589 /nfs/dbraw/zinc/54/75/89/404547589.db2.gz LBFLPORUAFJAKX-OAHLLOKOSA-N 2 1 319.453 2.220 20 30 DEEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330084544 404547593 /nfs/dbraw/zinc/54/75/93/404547593.db2.gz LBFLPORUAFJAKX-OAHLLOKOSA-N 2 1 319.453 2.220 20 30 DEEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000375908869 404769753 /nfs/dbraw/zinc/76/97/53/404769753.db2.gz ZJIARPVVUZVMKH-LJQANCHMSA-N 2 1 312.461 2.159 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000575377143 406808087 /nfs/dbraw/zinc/80/80/87/406808087.db2.gz FCPBYHLOOOPWAM-MRXNPFEDSA-N 2 1 324.490 2.256 20 30 DEEDMP C[C@@H]1C[C@@H](CCNC2=[NH+]CCN2C)C[N@H+]1Cc1ccccc1 ZINC000262681830 225281799 /nfs/dbraw/zinc/28/17/99/225281799.db2.gz WMVYVYVLCXJWOX-NVXWUHKLSA-N 2 1 300.450 2.178 20 30 DEEDMP C=CCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655020074 425486305 /nfs/dbraw/zinc/48/63/05/425486305.db2.gz IDZLDRIARPEJAI-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694700 425713578 /nfs/dbraw/zinc/71/35/78/425713578.db2.gz BGYOJQGKEYPIAY-QAPCUYQASA-N 2 1 307.482 2.311 20 30 DEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377715191 290220232 /nfs/dbraw/zinc/22/02/32/290220232.db2.gz BJJZZRLFCTXNRD-VQIMIIECSA-N 2 1 312.461 2.331 20 30 DEEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377715191 290220236 /nfs/dbraw/zinc/22/02/36/290220236.db2.gz BJJZZRLFCTXNRD-VQIMIIECSA-N 2 1 312.461 2.331 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970675 782091219 /nfs/dbraw/zinc/09/12/19/782091219.db2.gz KLDPCXKLTQPNPW-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970675 782091224 /nfs/dbraw/zinc/09/12/24/782091224.db2.gz KLDPCXKLTQPNPW-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970675 782091232 /nfs/dbraw/zinc/09/12/32/782091232.db2.gz KLDPCXKLTQPNPW-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970675 782091241 /nfs/dbraw/zinc/09/12/41/782091241.db2.gz KLDPCXKLTQPNPW-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001330296238 1149088124 /nfs/dbraw/zinc/08/81/24/1149088124.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001330296238 1149088129 /nfs/dbraw/zinc/08/81/29/1149088129.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001330296238 1149088138 /nfs/dbraw/zinc/08/81/38/1149088138.db2.gz KSIHNTPTNFZLMI-ZJPYXAASSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000294990183 526826506 /nfs/dbraw/zinc/82/65/06/526826506.db2.gz LIBIHWCEISHXEJ-UHFFFAOYSA-N 2 1 321.415 2.478 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000294990183 526826513 /nfs/dbraw/zinc/82/65/13/526826513.db2.gz LIBIHWCEISHXEJ-UHFFFAOYSA-N 2 1 321.415 2.478 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCC[N@@H+]2CCCOCC2)c1 ZINC000187855875 528173825 /nfs/dbraw/zinc/17/38/25/528173825.db2.gz CFWAXPBMDCVNPN-UHFFFAOYSA-N 2 1 304.438 2.259 20 30 DEEDMP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+]2CCCOCC2)c1 ZINC000187855875 528173831 /nfs/dbraw/zinc/17/38/31/528173831.db2.gz CFWAXPBMDCVNPN-UHFFFAOYSA-N 2 1 304.438 2.259 20 30 DEEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261950196 528805579 /nfs/dbraw/zinc/80/55/79/528805579.db2.gz HDWMPEXNLQTCFZ-XJKSGUPXSA-N 2 1 324.538 2.167 20 30 DEEDMP CCOCc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264127017 529035042 /nfs/dbraw/zinc/03/50/42/529035042.db2.gz WPZJRWCUIRMYLS-QGZVFWFLSA-N 2 1 318.465 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001330467972 1149150979 /nfs/dbraw/zinc/15/09/79/1149150979.db2.gz OBWBAKXVAQARRF-YESZJQIVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310602 625436826 /nfs/dbraw/zinc/43/68/26/625436826.db2.gz UOHGOJIOFDWBJM-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475853 625467755 /nfs/dbraw/zinc/46/77/55/625467755.db2.gz VLLXPIUPOXOYCR-WBVHZDCISA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114689 622567690 /nfs/dbraw/zinc/56/76/90/622567690.db2.gz KPCAWDUHFNVOSJ-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969832317 622942457 /nfs/dbraw/zinc/94/24/57/622942457.db2.gz GKIPBJXHQLXQDB-RHSMWYFYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596978 625619704 /nfs/dbraw/zinc/61/97/04/625619704.db2.gz KQQHXRYMJBTCGV-HUUCEWRRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596978 625619706 /nfs/dbraw/zinc/61/97/06/625619706.db2.gz KQQHXRYMJBTCGV-HUUCEWRRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001020906932 623184943 /nfs/dbraw/zinc/18/49/43/623184943.db2.gz MOJUZNTZDSJEHC-ULQDDVLXSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735420 624018087 /nfs/dbraw/zinc/01/80/87/624018087.db2.gz FDLDOTFXVVNMIA-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735420 624018089 /nfs/dbraw/zinc/01/80/89/624018089.db2.gz FDLDOTFXVVNMIA-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542152 624184947 /nfs/dbraw/zinc/18/49/47/624184947.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542152 624184948 /nfs/dbraw/zinc/18/49/48/624184948.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542152 624184949 /nfs/dbraw/zinc/18/49/49/624184949.db2.gz ZLOHOIQNEQZWBY-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000998889600 634437940 /nfs/dbraw/zinc/43/79/40/634437940.db2.gz WSNPZKBTWVFRJK-GTPINHCMSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696678 634446842 /nfs/dbraw/zinc/44/68/42/634446842.db2.gz QPRCPVJJTVRAFM-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696678 634446846 /nfs/dbraw/zinc/44/68/46/634446846.db2.gz QPRCPVJJTVRAFM-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142529 634492501 /nfs/dbraw/zinc/49/25/01/634492501.db2.gz AWXLNQUXOOCVBD-CABCVRRESA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650260 633207280 /nfs/dbraw/zinc/20/72/80/633207280.db2.gz IIDVWMLYYLKXBX-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650260 633207281 /nfs/dbraw/zinc/20/72/81/633207281.db2.gz IIDVWMLYYLKXBX-DLBZAZTESA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670144 633214615 /nfs/dbraw/zinc/21/46/15/633214615.db2.gz GVXZSWXDOSYMKX-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670144 633214619 /nfs/dbraw/zinc/21/46/19/633214619.db2.gz GVXZSWXDOSYMKX-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000997078455 633567120 /nfs/dbraw/zinc/56/71/20/633567120.db2.gz JGYVQMWWHWQCJM-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444019 633794861 /nfs/dbraw/zinc/79/48/61/633794861.db2.gz POQYJAQQKNCXSZ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444019 633794865 /nfs/dbraw/zinc/79/48/65/633794865.db2.gz POQYJAQQKNCXSZ-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C(C)(C)C1 ZINC000977452188 633992251 /nfs/dbraw/zinc/99/22/51/633992251.db2.gz QZNHZOJDYGRGRB-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C(C)(C)C1 ZINC000977452188 633992255 /nfs/dbraw/zinc/99/22/55/633992255.db2.gz QZNHZOJDYGRGRB-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452188 633992257 /nfs/dbraw/zinc/99/22/57/633992257.db2.gz QZNHZOJDYGRGRB-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C(C)(C)C1 ZINC000977452188 633992259 /nfs/dbraw/zinc/99/22/59/633992259.db2.gz QZNHZOJDYGRGRB-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC000977540063 634033499 /nfs/dbraw/zinc/03/34/99/634033499.db2.gz ZDAGJFQUTCNSSK-OAHLLOKOSA-N 2 1 304.438 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998007495 634108660 /nfs/dbraw/zinc/10/86/60/634108660.db2.gz OOEDOPCNJPLHKZ-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998007495 634108665 /nfs/dbraw/zinc/10/86/65/634108665.db2.gz OOEDOPCNJPLHKZ-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998015924 634112811 /nfs/dbraw/zinc/11/28/11/634112811.db2.gz GHKOBFGSAKQLFZ-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998015924 634112816 /nfs/dbraw/zinc/11/28/16/634112816.db2.gz GHKOBFGSAKQLFZ-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998015924 634112818 /nfs/dbraw/zinc/11/28/18/634112818.db2.gz GHKOBFGSAKQLFZ-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142896 /nfs/dbraw/zinc/14/28/96/634142896.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142898 /nfs/dbraw/zinc/14/28/98/634142898.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000998105234 634142900 /nfs/dbraw/zinc/14/29/00/634142900.db2.gz XSSORDJFLQQROG-OKZBNKHCSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175338 634161267 /nfs/dbraw/zinc/16/12/67/634161267.db2.gz BSBRWVRKFHWNPF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998187182 634163596 /nfs/dbraw/zinc/16/35/96/634163596.db2.gz DSCIQBBMSIRNRK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998187182 634163598 /nfs/dbraw/zinc/16/35/98/634163598.db2.gz DSCIQBBMSIRNRK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998187182 634163600 /nfs/dbraw/zinc/16/36/00/634163600.db2.gz DSCIQBBMSIRNRK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886012 634873458 /nfs/dbraw/zinc/87/34/58/634873458.db2.gz MQKDOWWEURKZMB-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886012 634873464 /nfs/dbraw/zinc/87/34/64/634873464.db2.gz MQKDOWWEURKZMB-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001000685221 635265276 /nfs/dbraw/zinc/26/52/76/635265276.db2.gz HITHWAYYHNMBCJ-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP CC#CCN1CC=C(CNC(=O)c2ccn3c(C)cnc3c2)CC1 ZINC001000685221 635265277 /nfs/dbraw/zinc/26/52/77/635265277.db2.gz HITHWAYYHNMBCJ-UHFFFAOYSA-N 2 1 322.412 2.028 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001251350 635441518 /nfs/dbraw/zinc/44/15/18/635441518.db2.gz DPIOUVGZZMOYRK-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001251350 635441522 /nfs/dbraw/zinc/44/15/22/635441522.db2.gz DPIOUVGZZMOYRK-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001251350 635441527 /nfs/dbraw/zinc/44/15/27/635441527.db2.gz DPIOUVGZZMOYRK-ROUUACIJSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981363617 635454429 /nfs/dbraw/zinc/45/44/29/635454429.db2.gz JJWTUUZXEISODX-HUUCEWRRSA-N 2 1 304.438 2.210 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981369153 635456644 /nfs/dbraw/zinc/45/66/44/635456644.db2.gz DEVZZOKDOSDOIM-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000981369153 635456648 /nfs/dbraw/zinc/45/66/48/635456648.db2.gz DEVZZOKDOSDOIM-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC000981369153 635456652 /nfs/dbraw/zinc/45/66/52/635456652.db2.gz DEVZZOKDOSDOIM-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001466456 635501994 /nfs/dbraw/zinc/50/19/94/635501994.db2.gz HSUQHSGNEPVQMR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001912725 635574581 /nfs/dbraw/zinc/57/45/81/635574581.db2.gz ZCXCOONGKLDDDT-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811968 635666511 /nfs/dbraw/zinc/66/65/11/635666511.db2.gz DAKPOSQRLZHTBH-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861101 635697219 /nfs/dbraw/zinc/69/72/19/635697219.db2.gz AYVNJHUNONADQA-UHFFFAOYSA-N 2 1 324.428 2.367 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981963962 635773183 /nfs/dbraw/zinc/77/31/83/635773183.db2.gz BZNBBOMAZBDJEY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981963962 635773186 /nfs/dbraw/zinc/77/31/86/635773186.db2.gz BZNBBOMAZBDJEY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981963962 635773189 /nfs/dbraw/zinc/77/31/89/635773189.db2.gz BZNBBOMAZBDJEY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)CC[C@@H]2C1 ZINC000946704066 636571632 /nfs/dbraw/zinc/57/16/32/636571632.db2.gz NKOGGJYQXCSKFH-CALCHBBNSA-N 2 1 316.449 2.020 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005414825 636735027 /nfs/dbraw/zinc/73/50/27/636735027.db2.gz IIBZTYPFHJFDHC-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870149 636802481 /nfs/dbraw/zinc/80/24/81/636802481.db2.gz LNIIFWBVOAEMND-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001005645810 636805301 /nfs/dbraw/zinc/80/53/01/636805301.db2.gz WNCRHHMQUVPCBV-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083640 637181597 /nfs/dbraw/zinc/18/15/97/637181597.db2.gz LGLPSGLZSUWQKQ-QGZVFWFLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117232 637214814 /nfs/dbraw/zinc/21/48/14/637214814.db2.gz UYIISXHYUZHAHM-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000985408009 639362021 /nfs/dbraw/zinc/36/20/21/639362021.db2.gz VIUJZAMZYWPOSQ-UHFFFAOYSA-N 2 1 310.829 2.018 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000985459068 639436722 /nfs/dbraw/zinc/43/67/22/639436722.db2.gz GYCIADQKVVKHTP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000985459068 639436723 /nfs/dbraw/zinc/43/67/23/639436723.db2.gz GYCIADQKVVKHTP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000985459068 639436726 /nfs/dbraw/zinc/43/67/26/639436726.db2.gz GYCIADQKVVKHTP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739776 641216838 /nfs/dbraw/zinc/21/68/38/641216838.db2.gz ZEODNURSYZOOAY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000989739776 641216839 /nfs/dbraw/zinc/21/68/39/641216839.db2.gz ZEODNURSYZOOAY-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743370 641217268 /nfs/dbraw/zinc/21/72/68/641217268.db2.gz MOLJGYKZKVPSCT-GOSISDBHSA-N 2 1 315.461 2.400 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743370 641217269 /nfs/dbraw/zinc/21/72/69/641217269.db2.gz MOLJGYKZKVPSCT-GOSISDBHSA-N 2 1 315.461 2.400 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC000990026093 641324347 /nfs/dbraw/zinc/32/43/47/641324347.db2.gz MBPDEMZNBDMTBW-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC000990026093 641324352 /nfs/dbraw/zinc/32/43/52/641324352.db2.gz MBPDEMZNBDMTBW-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026093 641324355 /nfs/dbraw/zinc/32/43/55/641324355.db2.gz MBPDEMZNBDMTBW-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC000990026093 641324360 /nfs/dbraw/zinc/32/43/60/641324360.db2.gz MBPDEMZNBDMTBW-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764182 641961609 /nfs/dbraw/zinc/96/16/09/641961609.db2.gz PNIFWPHIXQFNLR-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764182 641961614 /nfs/dbraw/zinc/96/16/14/641961614.db2.gz PNIFWPHIXQFNLR-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990764182 641961619 /nfs/dbraw/zinc/96/16/19/641961619.db2.gz PNIFWPHIXQFNLR-FAJBIJEISA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907282707 644497851 /nfs/dbraw/zinc/49/78/51/644497851.db2.gz PPOBMTBPFQPYSF-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@H]12 ZINC000991501131 646431873 /nfs/dbraw/zinc/43/18/73/646431873.db2.gz GYZKNJCGKJUFFR-PKOBYXMFSA-N 2 1 322.412 2.003 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857030 646670127 /nfs/dbraw/zinc/67/01/27/646670127.db2.gz CGSPJKCFLBCRIT-PKOBYXMFSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992192660 646896796 /nfs/dbraw/zinc/89/67/96/646896796.db2.gz TYKGATZMPZCKFA-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992192660 646896798 /nfs/dbraw/zinc/89/67/98/646896798.db2.gz TYKGATZMPZCKFA-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992192660 646896803 /nfs/dbraw/zinc/89/68/03/646896803.db2.gz TYKGATZMPZCKFA-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993534467 647691863 /nfs/dbraw/zinc/69/18/63/647691863.db2.gz YJANBJPHBWLIEM-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994078212 647785331 /nfs/dbraw/zinc/78/53/31/647785331.db2.gz HBBVKONIJSGSQZ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994268350 647888888 /nfs/dbraw/zinc/88/88/88/647888888.db2.gz MCNCSYCVAUDQEP-HOCLYGCPSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994268350 647888891 /nfs/dbraw/zinc/88/88/91/647888891.db2.gz MCNCSYCVAUDQEP-HOCLYGCPSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939246256 648608220 /nfs/dbraw/zinc/60/82/20/648608220.db2.gz GETTVUHYLTVXCW-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801216 648945072 /nfs/dbraw/zinc/94/50/72/648945072.db2.gz PWSORNXQCJGVPR-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801216 648945073 /nfs/dbraw/zinc/94/50/73/648945073.db2.gz PWSORNXQCJGVPR-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837428 648953878 /nfs/dbraw/zinc/95/38/78/648953878.db2.gz UEVKHFOLAJNANL-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842449 648954728 /nfs/dbraw/zinc/95/47/28/648954728.db2.gz GYKLSMAMNGWWRV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842449 648954731 /nfs/dbraw/zinc/95/47/31/648954731.db2.gz GYKLSMAMNGWWRV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842449 648954734 /nfs/dbraw/zinc/95/47/34/648954734.db2.gz GYKLSMAMNGWWRV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978321 /nfs/dbraw/zinc/97/83/21/648978321.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978324 /nfs/dbraw/zinc/97/83/24/648978324.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980854 648978328 /nfs/dbraw/zinc/97/83/28/648978328.db2.gz ZVLQGJXYGZKYMF-HRCADAONSA-N 2 1 307.482 2.119 20 30 DEEDMP C[NH+]=C(NCCCC[N@H+]1CCC[C@@H](C)C1)NCc1ccco1 ZINC000848989940 651573020 /nfs/dbraw/zinc/57/30/20/651573020.db2.gz MRZKLWRDGBPPIF-OAHLLOKOSA-N 2 1 306.454 2.457 20 30 DEEDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(C#N)cc2)s1 ZINC000850346094 651904919 /nfs/dbraw/zinc/90/49/19/651904919.db2.gz PXAHWFXRNSIQMZ-UHFFFAOYSA-N 2 1 300.431 2.409 20 30 DEEDMP C=CCOCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584203 651953748 /nfs/dbraw/zinc/95/37/48/651953748.db2.gz DYXBBEBRBMGDTQ-SFHVURJKSA-N 2 1 319.449 2.189 20 30 DEEDMP C=CCOCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584203 651953751 /nfs/dbraw/zinc/95/37/51/651953751.db2.gz DYXBBEBRBMGDTQ-SFHVURJKSA-N 2 1 319.449 2.189 20 30 DEEDMP C=CCOCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584203 651953755 /nfs/dbraw/zinc/95/37/55/651953755.db2.gz DYXBBEBRBMGDTQ-SFHVURJKSA-N 2 1 319.449 2.189 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750105 685258763 /nfs/dbraw/zinc/25/87/63/685258763.db2.gz IDWMBZIENFTLPO-DOTOQJQBSA-N 2 1 302.466 2.487 20 30 DEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291710 693916952 /nfs/dbraw/zinc/91/69/52/693916952.db2.gz CXHWVTHZDIJBLX-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291710 693916956 /nfs/dbraw/zinc/91/69/56/693916956.db2.gz CXHWVTHZDIJBLX-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291710 693916963 /nfs/dbraw/zinc/91/69/63/693916963.db2.gz CXHWVTHZDIJBLX-QGZVFWFLSA-N 2 1 313.445 2.146 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC(C)C)c1cccc(OC)c1 ZINC000303783665 685234412 /nfs/dbraw/zinc/23/44/12/685234412.db2.gz OLZGYOREIQPNEW-INIZCTEOSA-N 2 1 306.454 2.391 20 30 DEEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCCCC1 ZINC000303890877 685237460 /nfs/dbraw/zinc/23/74/60/685237460.db2.gz MULXKUNCZHGSDH-UHFFFAOYSA-N 2 1 300.450 2.235 20 30 DEEDMP CC[C@H](CNC(=[NH2+])NCC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000303900111 685238944 /nfs/dbraw/zinc/23/89/44/685238944.db2.gz RZHVVOFCMYPYKG-QGZVFWFLSA-N 2 1 302.466 2.384 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000303982546 685242081 /nfs/dbraw/zinc/24/20/81/685242081.db2.gz QHJYIZACXLJALC-INIZCTEOSA-N 2 1 314.477 2.415 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651468 687674529 /nfs/dbraw/zinc/67/45/29/687674529.db2.gz IGLZKKIWMXQFNJ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651473 687674958 /nfs/dbraw/zinc/67/49/58/687674958.db2.gz IGLZKKIWMXQFNJ-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016739091 687693835 /nfs/dbraw/zinc/69/38/35/687693835.db2.gz XHNDAELOOAWEMF-INIZCTEOSA-N 2 1 316.449 2.128 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001017552700 687910408 /nfs/dbraw/zinc/91/04/08/687910408.db2.gz HHMFKPBXHMRQBQ-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001017552700 687910413 /nfs/dbraw/zinc/91/04/13/687910413.db2.gz HHMFKPBXHMRQBQ-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017552700 687910417 /nfs/dbraw/zinc/91/04/17/687910417.db2.gz HHMFKPBXHMRQBQ-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017552700 687910420 /nfs/dbraw/zinc/91/04/20/687910420.db2.gz HHMFKPBXHMRQBQ-BBWFWOEESA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572149 687915570 /nfs/dbraw/zinc/91/55/70/687915570.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572149 687915576 /nfs/dbraw/zinc/91/55/76/687915576.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572149 687915579 /nfs/dbraw/zinc/91/55/79/687915579.db2.gz VOSIGISYWSDKLQ-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611460 687924805 /nfs/dbraw/zinc/92/48/05/687924805.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017611460 687924808 /nfs/dbraw/zinc/92/48/08/687924808.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611460 687924810 /nfs/dbraw/zinc/92/48/10/687924810.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611460 687924814 /nfs/dbraw/zinc/92/48/14/687924814.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611460 687924815 /nfs/dbraw/zinc/92/48/15/687924815.db2.gz RUNVTCCOPYDECZ-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018315415 688108075 /nfs/dbraw/zinc/10/80/75/688108075.db2.gz YZSOXSWOGZXGSA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018315415 688108077 /nfs/dbraw/zinc/10/80/77/688108077.db2.gz YZSOXSWOGZXGSA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018315415 688108081 /nfs/dbraw/zinc/10/80/81/688108081.db2.gz YZSOXSWOGZXGSA-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033320983 689461272 /nfs/dbraw/zinc/46/12/72/689461272.db2.gz YSJGIEPJDIJPDK-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033830429 689629837 /nfs/dbraw/zinc/62/98/37/689629837.db2.gz IEKJDOCQILSWLN-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258487 689785677 /nfs/dbraw/zinc/78/56/77/689785677.db2.gz XWUXIJHWZSJIKC-KRWDZBQOSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260307 689785734 /nfs/dbraw/zinc/78/57/34/689785734.db2.gz IDWWECPXOMWYLL-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034642759 689917302 /nfs/dbraw/zinc/91/73/02/689917302.db2.gz LAXLHUKFZOGTDN-BRWVUGGUSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876728712 689918318 /nfs/dbraw/zinc/91/83/18/689918318.db2.gz SYGSMSOGQVWUDY-JKSUJKDBSA-N 2 1 321.852 2.237 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001034660984 689921561 /nfs/dbraw/zinc/92/15/61/689921561.db2.gz IIYSSRBLNLTVCW-BZUAXINKSA-N 2 1 316.449 2.354 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198550 690057365 /nfs/dbraw/zinc/05/73/65/690057365.db2.gz MFFRZYTZYIOQCK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198550 690057369 /nfs/dbraw/zinc/05/73/69/690057369.db2.gz MFFRZYTZYIOQCK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198550 690057373 /nfs/dbraw/zinc/05/73/73/690057373.db2.gz MFFRZYTZYIOQCK-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229745 690066828 /nfs/dbraw/zinc/06/68/28/690066828.db2.gz ZBDBTQYESDLORD-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035716930 690159469 /nfs/dbraw/zinc/15/94/69/690159469.db2.gz BDDCKSGGYBMARI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814913 690183514 /nfs/dbraw/zinc/18/35/14/690183514.db2.gz VBOJIWDIBSJLCH-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716534 690443729 /nfs/dbraw/zinc/44/37/29/690443729.db2.gz HLEIMENLWLUHAZ-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793984 690476711 /nfs/dbraw/zinc/47/67/11/690476711.db2.gz NREZCJUGBRZRJC-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000931352257 694375840 /nfs/dbraw/zinc/37/58/40/694375840.db2.gz XTELUUBTDFAOBB-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001037874697 690629916 /nfs/dbraw/zinc/62/99/16/690629916.db2.gz HSCQMXQUYDWUGI-LSDHHAIUSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246091 690755753 /nfs/dbraw/zinc/75/57/53/690755753.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246091 690755757 /nfs/dbraw/zinc/75/57/57/690755757.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246091 690755760 /nfs/dbraw/zinc/75/57/60/690755760.db2.gz BOPGUIASWQRGFG-FUHWJXTLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355441 690793218 /nfs/dbraw/zinc/79/32/18/690793218.db2.gz ZWQZAAPMXNIRAN-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355441 690793222 /nfs/dbraw/zinc/79/32/22/690793222.db2.gz ZWQZAAPMXNIRAN-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038355441 690793227 /nfs/dbraw/zinc/79/32/27/690793227.db2.gz ZWQZAAPMXNIRAN-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231222 691062181 /nfs/dbraw/zinc/06/21/81/691062181.db2.gz UYATYCHVWFQMGL-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231222 691062184 /nfs/dbraw/zinc/06/21/84/691062184.db2.gz UYATYCHVWFQMGL-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242784 691066383 /nfs/dbraw/zinc/06/63/83/691066383.db2.gz RDDQMVANGMUJOK-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386236 691094602 /nfs/dbraw/zinc/09/46/02/691094602.db2.gz FGHNVRGXJKWYFZ-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242795 /nfs/dbraw/zinc/24/27/95/691242795.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242797 /nfs/dbraw/zinc/24/27/97/691242797.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395890 691242799 /nfs/dbraw/zinc/24/27/99/691242799.db2.gz RCFWFNRYSRUTHN-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849719 691292504 /nfs/dbraw/zinc/29/25/04/691292504.db2.gz UXBXJOJBKHRRPU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041297102 691357640 /nfs/dbraw/zinc/35/76/40/691357640.db2.gz MIRVWMPKQASABP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297102 691357644 /nfs/dbraw/zinc/35/76/44/691357644.db2.gz MIRVWMPKQASABP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297102 691357650 /nfs/dbraw/zinc/35/76/50/691357650.db2.gz MIRVWMPKQASABP-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377676 691368967 /nfs/dbraw/zinc/36/89/67/691368967.db2.gz CVDLGYCPAVOTEI-PKOBYXMFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845658 691444678 /nfs/dbraw/zinc/44/46/78/691444678.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845658 691444681 /nfs/dbraw/zinc/44/46/81/691444681.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845658 691444684 /nfs/dbraw/zinc/44/46/84/691444684.db2.gz MLFLDGZEEBGNCU-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095921 691507307 /nfs/dbraw/zinc/50/73/07/691507307.db2.gz RPDCRLDVUGKEIS-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095921 691507311 /nfs/dbraw/zinc/50/73/11/691507311.db2.gz RPDCRLDVUGKEIS-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095921 691507314 /nfs/dbraw/zinc/50/73/14/691507314.db2.gz RPDCRLDVUGKEIS-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001043072286 691672826 /nfs/dbraw/zinc/67/28/26/691672826.db2.gz FBQKJBOGSAGOJK-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043072286 691672829 /nfs/dbraw/zinc/67/28/29/691672829.db2.gz FBQKJBOGSAGOJK-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001044334651 691808463 /nfs/dbraw/zinc/80/84/63/691808463.db2.gz QXFBULLVYGHASB-UHFFFAOYSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044761415 691883162 /nfs/dbraw/zinc/88/31/62/691883162.db2.gz WPVGMAKDYUSBEI-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438273 691981235 /nfs/dbraw/zinc/98/12/35/691981235.db2.gz NFJASTJWJKQCOB-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046706755 692268499 /nfs/dbraw/zinc/26/84/99/692268499.db2.gz LBOYHUJBPDHRSD-GOSISDBHSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562926 692648339 /nfs/dbraw/zinc/64/83/39/692648339.db2.gz RXBHRDMINBKNBA-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562926 692648341 /nfs/dbraw/zinc/64/83/41/692648341.db2.gz RXBHRDMINBKNBA-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562926 692648344 /nfs/dbraw/zinc/64/83/44/692648344.db2.gz RXBHRDMINBKNBA-SFFUCWETSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048919493 692722916 /nfs/dbraw/zinc/72/29/16/692722916.db2.gz VVSSKRLREYRHDK-CALCHBBNSA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482253 692896862 /nfs/dbraw/zinc/89/68/62/692896862.db2.gz LMYPYNVWFDTQRV-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482253 692896866 /nfs/dbraw/zinc/89/68/66/692896866.db2.gz LMYPYNVWFDTQRV-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482253 692896868 /nfs/dbraw/zinc/89/68/68/692896868.db2.gz LMYPYNVWFDTQRV-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049515029 692907854 /nfs/dbraw/zinc/90/78/54/692907854.db2.gz LCQVNRAUIMOMGP-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515029 692907856 /nfs/dbraw/zinc/90/78/56/692907856.db2.gz LCQVNRAUIMOMGP-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515029 692907860 /nfs/dbraw/zinc/90/78/60/692907860.db2.gz LCQVNRAUIMOMGP-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568674 692924428 /nfs/dbraw/zinc/92/44/28/692924428.db2.gz VWTNHEVTNHERPA-IAGOWNOFSA-N 2 1 317.477 2.256 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049572574 692926232 /nfs/dbraw/zinc/92/62/32/692926232.db2.gz MFWGUEQOENTORA-QZTJIDSGSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727264 692977196 /nfs/dbraw/zinc/97/71/96/692977196.db2.gz ISXYBHLZRXFOFG-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550465 693205177 /nfs/dbraw/zinc/20/51/77/693205177.db2.gz LNMNUUPJQUIFGM-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001050564628 693207686 /nfs/dbraw/zinc/20/76/86/693207686.db2.gz SOIIVUALTAYDMK-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000925894255 693361178 /nfs/dbraw/zinc/36/11/78/693361178.db2.gz VPVVTJHYXNQNDC-MSOLQXFVSA-N 2 1 321.428 2.448 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C2 ZINC000926878158 693523633 /nfs/dbraw/zinc/52/36/33/693523633.db2.gz FDJHCPBGYOQAAD-MAPUTHEBSA-N 2 1 307.482 2.384 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766823 693615350 /nfs/dbraw/zinc/61/53/50/693615350.db2.gz OATMZIXAFPOGMR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001402646375 1162424793 /nfs/dbraw/zinc/42/47/93/1162424793.db2.gz VFSKOGNHFQNETE-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001402646375 1162424798 /nfs/dbraw/zinc/42/47/98/1162424798.db2.gz VFSKOGNHFQNETE-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001402646375 1162424800 /nfs/dbraw/zinc/42/48/00/1162424800.db2.gz VFSKOGNHFQNETE-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001402646375 1162424804 /nfs/dbraw/zinc/42/48/04/1162424804.db2.gz VFSKOGNHFQNETE-CQSZACIVSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001381480892 1153081529 /nfs/dbraw/zinc/08/15/29/1153081529.db2.gz YSKNEZHLFLMKFQ-UHFFFAOYSA-N 2 1 312.845 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001393660651 1157895850 /nfs/dbraw/zinc/89/58/50/1157895850.db2.gz UCBMEMQTLFIAPV-AWEZNQCLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001394830865 1158806302 /nfs/dbraw/zinc/80/63/02/1158806302.db2.gz DNAKZSBZHKYLJN-ZDUSSCGKSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001399224624 1161289382 /nfs/dbraw/zinc/28/93/82/1161289382.db2.gz LBTJESHYAFIDJJ-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424546370 1173826708 /nfs/dbraw/zinc/82/67/08/1173826708.db2.gz JYIHYOOXAAUYPA-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424546370 1173826709 /nfs/dbraw/zinc/82/67/09/1173826709.db2.gz JYIHYOOXAAUYPA-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424546381 1173826974 /nfs/dbraw/zinc/82/69/74/1173826974.db2.gz JYIHYOOXAAUYPA-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001424546381 1173826979 /nfs/dbraw/zinc/82/69/79/1173826979.db2.gz JYIHYOOXAAUYPA-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP N#Cc1cccc([C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001434477516 1178630379 /nfs/dbraw/zinc/63/03/79/1178630379.db2.gz CIXFMZOZFXIMGC-IBGZPJMESA-N 2 1 322.412 2.199 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001438527888 1180552898 /nfs/dbraw/zinc/55/28/98/1180552898.db2.gz ZUTYAYGADGUFBI-DZGCQCFKSA-N 2 1 315.889 2.203 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001438699132 1180772912 /nfs/dbraw/zinc/77/29/12/1180772912.db2.gz YDEULYXWMYXCHV-GJZGRUSLSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596305 1149816753 /nfs/dbraw/zinc/81/67/53/1149816753.db2.gz SXOOFMWEAYLCNH-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596305 1149816754 /nfs/dbraw/zinc/81/67/54/1149816754.db2.gz SXOOFMWEAYLCNH-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001407032627 1164934456 /nfs/dbraw/zinc/93/44/56/1164934456.db2.gz RSAUUESCVVPPQU-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001407032627 1164934458 /nfs/dbraw/zinc/93/44/58/1164934458.db2.gz RSAUUESCVVPPQU-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001407032627 1164934465 /nfs/dbraw/zinc/93/44/65/1164934465.db2.gz RSAUUESCVVPPQU-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001407032627 1164934483 /nfs/dbraw/zinc/93/44/83/1164934483.db2.gz RSAUUESCVVPPQU-MRXNPFEDSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001332409693 1149857827 /nfs/dbraw/zinc/85/78/27/1149857827.db2.gz OFIYTOSHLWNVCW-IAGOWNOFSA-N 2 1 319.424 2.195 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001332412458 1149857691 /nfs/dbraw/zinc/85/76/91/1149857691.db2.gz FAMOFYFJKMSXMO-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001332736104 1149886378 /nfs/dbraw/zinc/88/63/78/1149886378.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001332736104 1149886380 /nfs/dbraw/zinc/88/63/80/1149886380.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001332736104 1149886383 /nfs/dbraw/zinc/88/63/83/1149886383.db2.gz WCVRDHQBNOBKAK-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C\CC)C1 ZINC001333082406 1149991660 /nfs/dbraw/zinc/99/16/60/1149991660.db2.gz NPRVLRQJCAORAW-MJUMSYKNSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430191 783101245 /nfs/dbraw/zinc/10/12/45/783101245.db2.gz JKWDFGMARRGJGP-INIZCTEOSA-N 2 1 324.428 2.188 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497888 783154643 /nfs/dbraw/zinc/15/46/43/783154643.db2.gz MXZBWZBTSQPVKM-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265038 776860855 /nfs/dbraw/zinc/86/08/55/776860855.db2.gz QFWOEWJCTYUBLL-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1 ZINC001167677040 777594334 /nfs/dbraw/zinc/59/43/34/777594334.db2.gz GSFQYEVCUWBSER-SFHVURJKSA-N 2 1 323.444 2.442 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104777582 778173449 /nfs/dbraw/zinc/17/34/49/778173449.db2.gz QXDUGWWHKTZANX-ARFHVFGLSA-N 2 1 318.465 2.239 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1CC ZINC001087624697 779383790 /nfs/dbraw/zinc/38/37/90/779383790.db2.gz UVFCONTUZXXTLD-DOTOQJQBSA-N 2 1 310.401 2.169 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1CC ZINC001087625569 779384274 /nfs/dbraw/zinc/38/42/74/779384274.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1CC ZINC001087625569 779384278 /nfs/dbraw/zinc/38/42/78/779384278.db2.gz MMTTZSBDSLHCEU-ZNMIVQPWSA-N 2 1 313.873 2.192 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749523 779436615 /nfs/dbraw/zinc/43/66/15/779436615.db2.gz OUONDMOMIGCXIB-OKZBNKHCSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986285 779605976 /nfs/dbraw/zinc/60/59/76/779605976.db2.gz FCXPRIIUZVARCM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986285 779605980 /nfs/dbraw/zinc/60/59/80/779605980.db2.gz FCXPRIIUZVARCM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986285 779605983 /nfs/dbraw/zinc/60/59/83/779605983.db2.gz FCXPRIIUZVARCM-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704136 /nfs/dbraw/zinc/70/41/36/779704136.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704138 /nfs/dbraw/zinc/70/41/38/779704138.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106363 779704142 /nfs/dbraw/zinc/70/41/42/779704142.db2.gz XLWXDQOIZBWMBK-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001088390447 780062400 /nfs/dbraw/zinc/06/24/00/780062400.db2.gz NNYRCOZDVNJJKL-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588598 780462847 /nfs/dbraw/zinc/46/28/47/780462847.db2.gz UCDHCUWUYUDUOV-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168296918 780810443 /nfs/dbraw/zinc/81/04/43/780810443.db2.gz AKMPDIRPVQIJBY-IYBDPMFKSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001091057914 790872247 /nfs/dbraw/zinc/87/22/47/790872247.db2.gz GNZSADUMJSMAIX-NRXISQOPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621059 783533589 /nfs/dbraw/zinc/53/35/89/783533589.db2.gz LGUTZUOIPGVSHQ-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647177 783548565 /nfs/dbraw/zinc/54/85/65/783548565.db2.gz FHQIOKDGZNTWST-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855964 784150185 /nfs/dbraw/zinc/15/01/85/784150185.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855964 784150190 /nfs/dbraw/zinc/15/01/90/784150190.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855964 784150195 /nfs/dbraw/zinc/15/01/95/784150195.db2.gz NPUQJYAPALYDOE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855963 784150221 /nfs/dbraw/zinc/15/02/21/784150221.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855963 784150228 /nfs/dbraw/zinc/15/02/28/784150228.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085855963 784150233 /nfs/dbraw/zinc/15/02/33/784150233.db2.gz NPUQJYAPALYDOE-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553860 784462254 /nfs/dbraw/zinc/46/22/54/784462254.db2.gz QLQBHLUQPGNGMZ-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553860 784462264 /nfs/dbraw/zinc/46/22/64/784462264.db2.gz QLQBHLUQPGNGMZ-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086216816 784497743 /nfs/dbraw/zinc/49/77/43/784497743.db2.gz AMAPFDCZYVCXHP-IXDOHACOSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000968782665 784588053 /nfs/dbraw/zinc/58/80/53/784588053.db2.gz XWHNFBIALMQPLS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968782665 784588059 /nfs/dbraw/zinc/58/80/59/784588059.db2.gz XWHNFBIALMQPLS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000968782665 784588065 /nfs/dbraw/zinc/58/80/65/784588065.db2.gz XWHNFBIALMQPLS-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856076 784621392 /nfs/dbraw/zinc/62/13/92/784621392.db2.gz DDURTYFXVPGIKO-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723853 786724130 /nfs/dbraw/zinc/72/41/30/786724130.db2.gz RQYVKUMNDNCYHT-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014723853 786724133 /nfs/dbraw/zinc/72/41/33/786724133.db2.gz RQYVKUMNDNCYHT-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014723853 786724136 /nfs/dbraw/zinc/72/41/36/786724136.db2.gz RQYVKUMNDNCYHT-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026811 787347221 /nfs/dbraw/zinc/34/72/21/787347221.db2.gz HPLDETPMEMOQCZ-HZPDHXFCSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026811 787347232 /nfs/dbraw/zinc/34/72/32/787347232.db2.gz HPLDETPMEMOQCZ-HZPDHXFCSA-N 2 1 323.481 2.225 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096607727 787756384 /nfs/dbraw/zinc/75/63/84/787756384.db2.gz JBGYTIGUSIIYII-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096607727 787756389 /nfs/dbraw/zinc/75/63/89/787756389.db2.gz JBGYTIGUSIIYII-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096607727 787756395 /nfs/dbraw/zinc/75/63/95/787756395.db2.gz JBGYTIGUSIIYII-LTIDMASMSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096611135 787760092 /nfs/dbraw/zinc/76/00/92/787760092.db2.gz JGBKWNXGDBLIEH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096611135 787760103 /nfs/dbraw/zinc/76/01/03/787760103.db2.gz JGBKWNXGDBLIEH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096611135 787760111 /nfs/dbraw/zinc/76/01/11/787760111.db2.gz JGBKWNXGDBLIEH-QZWWFDLISA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266339 787997439 /nfs/dbraw/zinc/99/74/39/787997439.db2.gz WXMXTCTUXNIYQJ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132424278 788063830 /nfs/dbraw/zinc/06/38/30/788063830.db2.gz DQMJEENEEDXUKZ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493962 788104186 /nfs/dbraw/zinc/10/41/86/788104186.db2.gz OIMKDCOQLPPVBE-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166305 788304649 /nfs/dbraw/zinc/30/46/49/788304649.db2.gz SIZJFLHPYMMNFY-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097975815 788305468 /nfs/dbraw/zinc/30/54/68/788305468.db2.gz FJYAAOUYFCIKDT-ZACQAIPSSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345364 788375668 /nfs/dbraw/zinc/37/56/68/788375668.db2.gz BDLKUNZLCHVDLB-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133873095 788652995 /nfs/dbraw/zinc/65/29/95/788652995.db2.gz NGHXREUJSGIMNB-INIZCTEOSA-N 2 1 318.465 2.206 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608681 789004345 /nfs/dbraw/zinc/00/43/45/789004345.db2.gz YZJVZLQLCMQWBL-QWHCGFSZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805271 789095551 /nfs/dbraw/zinc/09/55/51/789095551.db2.gz QYYBTMGSCKRFLK-ZIAGYGMSSA-N 2 1 322.453 2.189 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682145 789862568 /nfs/dbraw/zinc/86/25/68/789862568.db2.gz HRWFKLRMLDANOB-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735994 789897967 /nfs/dbraw/zinc/89/79/67/789897967.db2.gz WAVMXOAWYDJHHH-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001074659059 791260315 /nfs/dbraw/zinc/26/03/15/791260315.db2.gz WNJQMQGRQXYODW-ILXRZTDVSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147211954 791477371 /nfs/dbraw/zinc/47/73/71/791477371.db2.gz KFKXQDYDOCXZKS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147211954 791477376 /nfs/dbraw/zinc/47/73/76/791477376.db2.gz KFKXQDYDOCXZKS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147211954 791477383 /nfs/dbraw/zinc/47/73/83/791477383.db2.gz KFKXQDYDOCXZKS-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147348927 791512062 /nfs/dbraw/zinc/51/20/62/791512062.db2.gz JZHXKASHOAAHAG-CQSZACIVSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147743131 791615050 /nfs/dbraw/zinc/61/50/50/791615050.db2.gz ZRUPCDWLOHDHBF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147743131 791615055 /nfs/dbraw/zinc/61/50/55/791615055.db2.gz ZRUPCDWLOHDHBF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147743131 791615058 /nfs/dbraw/zinc/61/50/58/791615058.db2.gz ZRUPCDWLOHDHBF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001147889556 791638854 /nfs/dbraw/zinc/63/88/54/791638854.db2.gz FBESASCIJIGWOA-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171327784 791721982 /nfs/dbraw/zinc/72/19/82/791721982.db2.gz DPVRHFRPTMBTRT-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839946 791809236 /nfs/dbraw/zinc/80/92/36/791809236.db2.gz VQZWNLNJETVMAR-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924029 791853321 /nfs/dbraw/zinc/85/33/21/791853321.db2.gz IFKUKYQEZSGXKQ-BRWVUGGUSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823671 791892200 /nfs/dbraw/zinc/89/22/00/791892200.db2.gz GYLYIWHEVIMMMU-APWZRJJASA-N 2 1 324.428 2.304 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC001092607380 792084135 /nfs/dbraw/zinc/08/41/35/792084135.db2.gz VKFDDEBWWJLSQB-CZUORRHYSA-N 2 1 312.417 2.126 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618168 792097871 /nfs/dbraw/zinc/09/78/71/792097871.db2.gz BAJNRNKCJZFNES-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618168 792097879 /nfs/dbraw/zinc/09/78/79/792097879.db2.gz BAJNRNKCJZFNES-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618168 792097891 /nfs/dbraw/zinc/09/78/91/792097891.db2.gz BAJNRNKCJZFNES-ZJPYXAASSA-N 2 1 321.509 2.367 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115869 792102187 /nfs/dbraw/zinc/10/21/87/792102187.db2.gz KWEYCTJJBMBXFW-IRXDYDNUSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544850 792236343 /nfs/dbraw/zinc/23/63/43/792236343.db2.gz WMXJZJBSOZAIMJ-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544850 792236352 /nfs/dbraw/zinc/23/63/52/792236352.db2.gz WMXJZJBSOZAIMJ-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544850 792236359 /nfs/dbraw/zinc/23/63/59/792236359.db2.gz WMXJZJBSOZAIMJ-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472024 793625567 /nfs/dbraw/zinc/62/55/67/793625567.db2.gz DFZAQHLDFBRLPY-ZACQAIPSSA-N 2 1 309.498 2.223 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882990 794083066 /nfs/dbraw/zinc/08/30/66/794083066.db2.gz ZYRSNVOTIOIRMJ-QZTJIDSGSA-N 2 1 321.509 2.396 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426746 794087717 /nfs/dbraw/zinc/08/77/17/794087717.db2.gz LDRPYXWOZUNGBV-KZNAEPCWSA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550434 794141553 /nfs/dbraw/zinc/14/15/53/794141553.db2.gz QEXDNLTUFBMLLW-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103664844 794181150 /nfs/dbraw/zinc/18/11/50/794181150.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664844 794181157 /nfs/dbraw/zinc/18/11/57/794181157.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664844 794181162 /nfs/dbraw/zinc/18/11/62/794181162.db2.gz ZCVIAYLMKUCACN-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175555453 794241245 /nfs/dbraw/zinc/24/12/45/794241245.db2.gz HAPIVNDWKGWYJS-INIZCTEOSA-N 2 1 318.465 2.294 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175747887 794277543 /nfs/dbraw/zinc/27/75/43/794277543.db2.gz VXEWYTLTIDEZHT-QGZVFWFLSA-N 2 1 309.498 2.396 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760439 794498831 /nfs/dbraw/zinc/49/88/31/794498831.db2.gz WOPYXHUQJHLLSD-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111937972 794530404 /nfs/dbraw/zinc/53/04/04/794530404.db2.gz FEVBEEPOPBEYNE-LPHOPBHVSA-N 2 1 317.477 2.019 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285169 794588020 /nfs/dbraw/zinc/58/80/20/794588020.db2.gz OKMBATWBZATFCP-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112380464 794617696 /nfs/dbraw/zinc/61/76/96/794617696.db2.gz JEJCBWMYYOPWIH-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115118651 794682795 /nfs/dbraw/zinc/68/27/95/794682795.db2.gz JMGNYQGNBROVIR-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118651 794682798 /nfs/dbraw/zinc/68/27/98/794682798.db2.gz JMGNYQGNBROVIR-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115118651 794682801 /nfs/dbraw/zinc/68/28/01/794682801.db2.gz JMGNYQGNBROVIR-IMBTUZDBSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297599 794726381 /nfs/dbraw/zinc/72/63/81/794726381.db2.gz ICGQTFIFXMMQCN-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730497 794899665 /nfs/dbraw/zinc/89/96/65/794899665.db2.gz LHCOOVXBPJPQDM-UHFFFAOYSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178816084 795013927 /nfs/dbraw/zinc/01/39/27/795013927.db2.gz TVPBUBYEJZYJPD-IRXDYDNUSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440146 795459840 /nfs/dbraw/zinc/45/98/40/795459840.db2.gz MAOZPJGZXGMMCK-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440146 795459843 /nfs/dbraw/zinc/45/98/43/795459843.db2.gz MAOZPJGZXGMMCK-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440146 795459849 /nfs/dbraw/zinc/45/98/49/795459849.db2.gz MAOZPJGZXGMMCK-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121318461 795616638 /nfs/dbraw/zinc/61/66/38/795616638.db2.gz IOJOQOCLRJSUON-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055358 795722079 /nfs/dbraw/zinc/72/20/79/795722079.db2.gz BHKYZWGASBNCBB-FIXVGMIGSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185445147 796258721 /nfs/dbraw/zinc/25/87/21/796258721.db2.gz FCDRTALXIGBFRQ-DZGCQCFKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151228 796633208 /nfs/dbraw/zinc/63/32/08/796633208.db2.gz RSDDJWPKUFHIIS-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189018446 796757282 /nfs/dbraw/zinc/75/72/82/796757282.db2.gz QHIVSMXPDDQLQH-BPQIPLTHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153382267 797332158 /nfs/dbraw/zinc/33/21/58/797332158.db2.gz ZGCLZIMIRRHRNL-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192846269 797461293 /nfs/dbraw/zinc/46/12/93/797461293.db2.gz LCRVWPJNDYNRBI-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856878 797463976 /nfs/dbraw/zinc/46/39/76/797463976.db2.gz FRODNJVCGMDSCB-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192856878 797463981 /nfs/dbraw/zinc/46/39/81/797463981.db2.gz FRODNJVCGMDSCB-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193027221 797492355 /nfs/dbraw/zinc/49/23/55/797492355.db2.gz NUNYONWAUXKCSK-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028983 797492664 /nfs/dbraw/zinc/49/26/64/797492664.db2.gz WVIKVLBTJXQMLU-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424835 797564964 /nfs/dbraw/zinc/56/49/64/797564964.db2.gz PYOUYOPZIWXHSO-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424835 797564969 /nfs/dbraw/zinc/56/49/69/797564969.db2.gz PYOUYOPZIWXHSO-ROUUACIJSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274398 797697596 /nfs/dbraw/zinc/69/75/96/797697596.db2.gz HISMTPFREGYZMK-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274398 797697600 /nfs/dbraw/zinc/69/76/00/797697600.db2.gz HISMTPFREGYZMK-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194246274 797699395 /nfs/dbraw/zinc/69/93/95/797699395.db2.gz KGBKETPBZRCCTR-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001155612515 797805831 /nfs/dbraw/zinc/80/58/31/797805831.db2.gz XDKUMNPFSRLYBC-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155621838 797808295 /nfs/dbraw/zinc/80/82/95/797808295.db2.gz PPJPOMNKQYFVJH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155621838 797808303 /nfs/dbraw/zinc/80/83/03/797808303.db2.gz PPJPOMNKQYFVJH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155621838 797808314 /nfs/dbraw/zinc/80/83/14/797808314.db2.gz PPJPOMNKQYFVJH-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318682 797972876 /nfs/dbraw/zinc/97/28/76/797972876.db2.gz FLBJRMNQFBQCNO-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318682 797972881 /nfs/dbraw/zinc/97/28/81/797972881.db2.gz FLBJRMNQFBQCNO-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318682 797972885 /nfs/dbraw/zinc/97/28/85/797972885.db2.gz FLBJRMNQFBQCNO-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158109 798156568 /nfs/dbraw/zinc/15/65/68/798156568.db2.gz HLYMJQVYNJTZDQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158109 798156570 /nfs/dbraw/zinc/15/65/70/798156570.db2.gz HLYMJQVYNJTZDQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158109 798156573 /nfs/dbraw/zinc/15/65/73/798156573.db2.gz HLYMJQVYNJTZDQ-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158611268 798437157 /nfs/dbraw/zinc/43/71/57/798437157.db2.gz DJNQUVXUMVYDMJ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158611268 798437162 /nfs/dbraw/zinc/43/71/62/798437162.db2.gz DJNQUVXUMVYDMJ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787620 798538629 /nfs/dbraw/zinc/53/86/29/798538629.db2.gz CBPOSYLRSXAELK-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856977 798751243 /nfs/dbraw/zinc/75/12/43/798751243.db2.gz SYBDWOVIOPWRJJ-UHFFFAOYSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161214060 798811220 /nfs/dbraw/zinc/81/12/20/798811220.db2.gz RIEFFNFIGRABOM-GOSISDBHSA-N 2 1 319.493 2.269 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716306 798921242 /nfs/dbraw/zinc/92/12/42/798921242.db2.gz LXEMGWGSKMZOGL-UHFFFAOYSA-N 2 1 317.477 2.187 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924452 798968936 /nfs/dbraw/zinc/96/89/36/798968936.db2.gz CYPUAZLYNFOKDI-IRXDYDNUSA-N 2 1 317.477 2.021 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000103338305 799470331 /nfs/dbraw/zinc/47/03/31/799470331.db2.gz XRICVUGMJMEPRD-CQSZACIVSA-N 2 1 306.454 2.455 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847189 799500046 /nfs/dbraw/zinc/50/00/46/799500046.db2.gz JWPJYXLWUZBALQ-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C[NH+](C)C1(CNc2ccc3c(C#N)c[nH]c3c2)CC[NH+](C)CC1 ZINC001164212900 799540301 /nfs/dbraw/zinc/54/03/01/799540301.db2.gz JTCVAWXFYMEYEW-UHFFFAOYSA-N 2 1 311.433 2.477 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668706 799689073 /nfs/dbraw/zinc/68/90/73/799689073.db2.gz UFWWTLOMHPSUJM-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668706 799689075 /nfs/dbraw/zinc/68/90/75/799689075.db2.gz UFWWTLOMHPSUJM-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668706 799689081 /nfs/dbraw/zinc/68/90/81/799689081.db2.gz UFWWTLOMHPSUJM-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994273 799816273 /nfs/dbraw/zinc/81/62/73/799816273.db2.gz WAJXZUMHMMONHK-WCXIOVBPSA-N 2 1 307.482 2.260 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203493350 800061294 /nfs/dbraw/zinc/06/12/94/800061294.db2.gz UDDGJNQOXZYXKG-HOTGVXAUSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651172 800100027 /nfs/dbraw/zinc/10/00/27/800100027.db2.gz LWQVCIVBHDTMDB-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792094 800123936 /nfs/dbraw/zinc/12/39/36/800123936.db2.gz NGVYTOMOQOPEDM-ZIAGYGMSSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284933 800337110 /nfs/dbraw/zinc/33/71/10/800337110.db2.gz UGJMJKLIDJKYLX-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(F)c1C#N ZINC001205579619 800379970 /nfs/dbraw/zinc/37/99/70/800379970.db2.gz OQMGVWPDXUWDLA-QGZVFWFLSA-N 2 1 322.403 2.416 20 30 DEEDMP CSc1nc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206003825 800456233 /nfs/dbraw/zinc/45/62/33/800456233.db2.gz MWWXTVGBENIMJF-STQMWFEESA-N 2 1 304.463 2.482 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206275711 800501561 /nfs/dbraw/zinc/50/15/61/800501561.db2.gz ZGMLMYJZCFHSAD-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206621908 800566645 /nfs/dbraw/zinc/56/66/45/800566645.db2.gz KOTNPXKPUVZPDD-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206969633 800643145 /nfs/dbraw/zinc/64/31/45/800643145.db2.gz FOCKJWGMCJSONQ-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206969633 800643150 /nfs/dbraw/zinc/64/31/50/800643150.db2.gz FOCKJWGMCJSONQ-UHFFFAOYSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281835 800722525 /nfs/dbraw/zinc/72/25/25/800722525.db2.gz HSQCCYUSLXCLDZ-FUHWJXTLSA-N 2 1 310.482 2.400 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161674 800854673 /nfs/dbraw/zinc/85/46/73/800854673.db2.gz WRLWGTIHJMRABG-NCOADZHNSA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111234014 800885753 /nfs/dbraw/zinc/88/57/53/800885753.db2.gz ZOQNGUCFLIUIAS-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111234014 800885758 /nfs/dbraw/zinc/88/57/58/800885758.db2.gz ZOQNGUCFLIUIAS-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111234014 800885764 /nfs/dbraw/zinc/88/57/64/800885764.db2.gz ZOQNGUCFLIUIAS-VQHPVUNQSA-N 2 1 307.482 2.404 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208074149 800906886 /nfs/dbraw/zinc/90/68/86/800906886.db2.gz STPMOVMEKHDXII-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001208073961 800907213 /nfs/dbraw/zinc/90/72/13/800907213.db2.gz QYYLQAKLOVPXFJ-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114746 800915611 /nfs/dbraw/zinc/91/56/11/800915611.db2.gz UDVGQMQDEHFWTI-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001208355676 800964860 /nfs/dbraw/zinc/96/48/60/800964860.db2.gz GDPPBLGMMLHANE-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001208355676 800964862 /nfs/dbraw/zinc/96/48/62/800964862.db2.gz GDPPBLGMMLHANE-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208358781 800965900 /nfs/dbraw/zinc/96/59/00/800965900.db2.gz NFZHCQQOFNOJBD-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422627 800980363 /nfs/dbraw/zinc/98/03/63/800980363.db2.gz SWILLMUFLHRZRZ-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422627 800980367 /nfs/dbraw/zinc/98/03/67/800980367.db2.gz SWILLMUFLHRZRZ-GDBMZVCRSA-N 2 1 319.449 2.358 20 30 DEEDMP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001209267907 801163391 /nfs/dbraw/zinc/16/33/91/801163391.db2.gz XXURBNNZUXSSSD-QYZOEREBSA-N 2 1 314.477 2.470 20 30 DEEDMP C#CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209267907 801163394 /nfs/dbraw/zinc/16/33/94/801163394.db2.gz XXURBNNZUXSSSD-QYZOEREBSA-N 2 1 314.477 2.470 20 30 DEEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209267907 801163397 /nfs/dbraw/zinc/16/33/97/801163397.db2.gz XXURBNNZUXSSSD-QYZOEREBSA-N 2 1 314.477 2.470 20 30 DEEDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233387958 802104481 /nfs/dbraw/zinc/10/44/81/802104481.db2.gz GDKSRLKWIGRPGO-UHFFFAOYSA-N 2 1 308.385 2.290 20 30 DEEDMP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001221063110 802525738 /nfs/dbraw/zinc/52/57/38/802525738.db2.gz MOWCQTFEQDKETH-HKUYNNGSSA-N 2 1 313.445 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811632 802618102 /nfs/dbraw/zinc/61/81/02/802618102.db2.gz CUZXOGZSRKKNIY-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223495457 802795120 /nfs/dbraw/zinc/79/51/20/802795120.db2.gz PUSOOGKCTNZILK-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767293 803155268 /nfs/dbraw/zinc/15/52/68/803155268.db2.gz VGSBRKPTSWQKFG-KZNAEPCWSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227158325 803209273 /nfs/dbraw/zinc/20/92/73/803209273.db2.gz FRTMBNRXDUZDGU-ZIAGYGMSSA-N 2 1 315.889 2.486 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443423 803241573 /nfs/dbraw/zinc/24/15/73/803241573.db2.gz KCFSGAIABYUGJO-BFYDXBDKSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001330915976 1149333355 /nfs/dbraw/zinc/33/33/55/1149333355.db2.gz LTCANWVPTQENTM-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC001335441010 1150417513 /nfs/dbraw/zinc/41/75/13/1150417513.db2.gz OIMCJUUITMJIJM-UHFFFAOYSA-N 2 1 317.408 2.232 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001419810728 1168855954 /nfs/dbraw/zinc/85/59/54/1168855954.db2.gz ZLZXPSPSIGGNMI-LSDHHAIUSA-N 2 1 315.889 2.201 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328588622 1148813808 /nfs/dbraw/zinc/81/38/08/1148813808.db2.gz HUCBDQKHWKJILJ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001500124436 1058509623 /nfs/dbraw/zinc/50/96/23/1058509623.db2.gz AARQSAXMPUWAHB-KRWDZBQOSA-N 2 1 318.465 2.422 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001500495401 1058855494 /nfs/dbraw/zinc/85/54/94/1058855494.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500495401 1058855522 /nfs/dbraw/zinc/85/55/22/1058855522.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001500495401 1058855542 /nfs/dbraw/zinc/85/55/42/1058855542.db2.gz DKUMMLQNWNMXON-IEBWSBKVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001501140320 1059321793 /nfs/dbraw/zinc/32/17/93/1059321793.db2.gz SXHRUFWIBPCWDB-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501404628 1059491451 /nfs/dbraw/zinc/49/14/51/1059491451.db2.gz SKTQUBSHYSYOLG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404628 1059491461 /nfs/dbraw/zinc/49/14/61/1059491461.db2.gz SKTQUBSHYSYOLG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404628 1059491470 /nfs/dbraw/zinc/49/14/70/1059491470.db2.gz SKTQUBSHYSYOLG-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001501698611 1059649986 /nfs/dbraw/zinc/64/99/86/1059649986.db2.gz PJGTUPVYXWZYOZ-WKILWMFISA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001502375136 1060082971 /nfs/dbraw/zinc/08/29/71/1060082971.db2.gz FJDOZVGZDRDTOL-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001502375136 1060082992 /nfs/dbraw/zinc/08/29/92/1060082992.db2.gz FJDOZVGZDRDTOL-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001505436638 1060592430 /nfs/dbraw/zinc/59/24/30/1060592430.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436638 1060592448 /nfs/dbraw/zinc/59/24/48/1060592448.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001505436638 1060592463 /nfs/dbraw/zinc/59/24/63/1060592463.db2.gz BBLVZQDLWXXQOQ-DLBZAZTESA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474552453 1060893001 /nfs/dbraw/zinc/89/30/01/1060893001.db2.gz KJSVZKDSAIEVPG-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474552453 1060893018 /nfs/dbraw/zinc/89/30/18/1060893018.db2.gz KJSVZKDSAIEVPG-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552453 1060893023 /nfs/dbraw/zinc/89/30/23/1060893023.db2.gz KJSVZKDSAIEVPG-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552453 1060893037 /nfs/dbraw/zinc/89/30/37/1060893037.db2.gz KJSVZKDSAIEVPG-AZUAARDMSA-N 2 1 313.489 2.442 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505845545 1061028114 /nfs/dbraw/zinc/02/81/14/1061028114.db2.gz RLRICQDUKMVELI-CQSZACIVSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001479251397 1061328029 /nfs/dbraw/zinc/32/80/29/1061328029.db2.gz FZXVTWIPHIDVHC-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001479557706 1061502496 /nfs/dbraw/zinc/50/24/96/1061502496.db2.gz RFUIVKLBZNXSHV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001479721444 1061642127 /nfs/dbraw/zinc/64/21/27/1061642127.db2.gz HLCGQFQDJADFQL-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001479721444 1061642146 /nfs/dbraw/zinc/64/21/46/1061642146.db2.gz HLCGQFQDJADFQL-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001479721444 1061642161 /nfs/dbraw/zinc/64/21/61/1061642161.db2.gz HLCGQFQDJADFQL-SJORKVTESA-N 2 1 307.482 2.101 20 30 DEEDMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479958129 1062107657 /nfs/dbraw/zinc/10/76/57/1062107657.db2.gz TWEBSXXBBRGOMX-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001479958129 1062107666 /nfs/dbraw/zinc/10/76/66/1062107666.db2.gz TWEBSXXBBRGOMX-MRXNPFEDSA-N 2 1 306.454 2.352 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001506559020 1062128559 /nfs/dbraw/zinc/12/85/59/1062128559.db2.gz NRSOXYJKDDWILZ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001506559020 1062128571 /nfs/dbraw/zinc/12/85/71/1062128571.db2.gz NRSOXYJKDDWILZ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001506559020 1062128577 /nfs/dbraw/zinc/12/85/77/1062128577.db2.gz NRSOXYJKDDWILZ-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753045 1062364796 /nfs/dbraw/zinc/36/47/96/1062364796.db2.gz MCLCOSDKBKMYAK-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001480386378 1062769179 /nfs/dbraw/zinc/76/91/79/1062769179.db2.gz JHKZJTZMUKZOCW-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1 ZINC001480479666 1062915489 /nfs/dbraw/zinc/91/54/89/1062915489.db2.gz KOYWJJCJHAQYJA-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1 ZINC001480479666 1062915504 /nfs/dbraw/zinc/91/55/04/1062915504.db2.gz KOYWJJCJHAQYJA-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001493260815 1063677209 /nfs/dbraw/zinc/67/72/09/1063677209.db2.gz UQGGPRFSTSQTQF-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493260815 1063677213 /nfs/dbraw/zinc/67/72/13/1063677213.db2.gz UQGGPRFSTSQTQF-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001493260815 1063677217 /nfs/dbraw/zinc/67/72/17/1063677217.db2.gz UQGGPRFSTSQTQF-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494047050 1064101567 /nfs/dbraw/zinc/10/15/67/1064101567.db2.gz GQXGGHRIZJMGNF-LSDHHAIUSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494178397 1064160156 /nfs/dbraw/zinc/16/01/56/1064160156.db2.gz IYFVQPOYDXJICZ-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494299866 1064205164 /nfs/dbraw/zinc/20/51/64/1064205164.db2.gz WOCHWKGUDDECOU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494299866 1064205178 /nfs/dbraw/zinc/20/51/78/1064205178.db2.gz WOCHWKGUDDECOU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494299866 1064205182 /nfs/dbraw/zinc/20/51/82/1064205182.db2.gz WOCHWKGUDDECOU-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567738655 1064390057 /nfs/dbraw/zinc/39/00/57/1064390057.db2.gz RFSVFNCHYTTZFC-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001494875556 1064536825 /nfs/dbraw/zinc/53/68/25/1064536825.db2.gz KLDGXRRCXPIWNX-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC001568120807 1064657114 /nfs/dbraw/zinc/65/71/14/1064657114.db2.gz CHFNLHGOWQMGOH-HNNXBMFYSA-N 2 1 324.428 2.018 20 30 DEEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001568437989 1064872644 /nfs/dbraw/zinc/87/26/44/1064872644.db2.gz PBXIHADFRLXFQH-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001568437989 1064872655 /nfs/dbraw/zinc/87/26/55/1064872655.db2.gz PBXIHADFRLXFQH-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001568437989 1064872662 /nfs/dbraw/zinc/87/26/62/1064872662.db2.gz PBXIHADFRLXFQH-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001495949007 1065190674 /nfs/dbraw/zinc/19/06/74/1065190674.db2.gz MTYCIODJTHZLPH-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001496311545 1065400290 /nfs/dbraw/zinc/40/02/90/1065400290.db2.gz JSBNYNQETOWJKN-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001569481203 1065534347 /nfs/dbraw/zinc/53/43/47/1065534347.db2.gz QJQCTEDBRPPDDO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569481203 1065534360 /nfs/dbraw/zinc/53/43/60/1065534360.db2.gz QJQCTEDBRPPDDO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001569481203 1065534373 /nfs/dbraw/zinc/53/43/73/1065534373.db2.gz QJQCTEDBRPPDDO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569668933 1065660441 /nfs/dbraw/zinc/66/04/41/1065660441.db2.gz DFOFDUFOVLBAAH-FUHWJXTLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001569880056 1065790729 /nfs/dbraw/zinc/79/07/29/1065790729.db2.gz LJPMGEJNWKHSRY-NCOADZHNSA-N 2 1 307.482 2.072 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001570045863 1065901699 /nfs/dbraw/zinc/90/16/99/1065901699.db2.gz UMMHMXTUEYPORB-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001570255153 1065992923 /nfs/dbraw/zinc/99/29/23/1065992923.db2.gz RYSJZYHRRRSZAB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001570448647 1066077604 /nfs/dbraw/zinc/07/76/04/1066077604.db2.gz GKLGKIZKEWZJGZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001498458170 1066720794 /nfs/dbraw/zinc/72/07/94/1066720794.db2.gz RQEPJFMBVIHJQN-HNNXBMFYSA-N 2 1 303.450 2.374 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001498897381 1066945414 /nfs/dbraw/zinc/94/54/14/1066945414.db2.gz CXNDJTYSVIYFOM-HOTGVXAUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001499130751 1067110957 /nfs/dbraw/zinc/11/09/57/1067110957.db2.gz BXYOWLBVCFWTFC-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001483438076 1078531388 /nfs/dbraw/zinc/53/13/88/1078531388.db2.gz JWFDNBMZUMCVDM-SJORKVTESA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483486960 1078564192 /nfs/dbraw/zinc/56/41/92/1078564192.db2.gz QFPFWALDOMPKRQ-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001267108359 1078586192 /nfs/dbraw/zinc/58/61/92/1078586192.db2.gz NIQZZGVPLSLXFR-MRXNPFEDSA-N 2 1 318.465 2.242 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570689357 1068069757 /nfs/dbraw/zinc/06/97/57/1068069757.db2.gz WGNAVYXTPXSESY-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267182130 1078645891 /nfs/dbraw/zinc/64/58/91/1078645891.db2.gz VEOPRXAHCSALPA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267182130 1078645895 /nfs/dbraw/zinc/64/58/95/1078645895.db2.gz VEOPRXAHCSALPA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267182130 1078645899 /nfs/dbraw/zinc/64/58/99/1078645899.db2.gz VEOPRXAHCSALPA-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001267191807 1078653822 /nfs/dbraw/zinc/65/38/22/1078653822.db2.gz YZOJGULYHRSKRL-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001570823090 1068128876 /nfs/dbraw/zinc/12/88/76/1068128876.db2.gz QSQOARXIYKJMAH-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001571022039 1068174649 /nfs/dbraw/zinc/17/46/49/1068174649.db2.gz LEEGZUUBKPJDNM-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228096 /nfs/dbraw/zinc/22/80/96/1068228096.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228103 /nfs/dbraw/zinc/22/81/03/1068228103.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001571334237 1068228106 /nfs/dbraw/zinc/22/81/06/1068228106.db2.gz QWXUBMNLOZQJOH-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001644522292 1078848788 /nfs/dbraw/zinc/84/87/88/1078848788.db2.gz DLKVADPEHKRVGJ-UHFFFAOYSA-N 2 1 315.461 2.011 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2ccnc2C)C1 ZINC001267496039 1078921931 /nfs/dbraw/zinc/92/19/31/1078921931.db2.gz KTPKWXQHOLPONP-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267496039 1078921942 /nfs/dbraw/zinc/92/19/42/1078921942.db2.gz KTPKWXQHOLPONP-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267496039 1078921946 /nfs/dbraw/zinc/92/19/46/1078921946.db2.gz KTPKWXQHOLPONP-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001483817271 1079131378 /nfs/dbraw/zinc/13/13/78/1079131378.db2.gz FSQBISIPJFVUKS-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267603127 1079154410 /nfs/dbraw/zinc/15/44/10/1079154410.db2.gz MAMDAXZQRJDMJW-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481125062 1079222425 /nfs/dbraw/zinc/22/24/25/1079222425.db2.gz AOWOTAWILOFOMO-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001481136370 1079243772 /nfs/dbraw/zinc/24/37/72/1079243772.db2.gz BGNHKZQGUWMQAQ-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163060 1079337938 /nfs/dbraw/zinc/33/79/38/1079337938.db2.gz GQYIJGOZJNWZCQ-SFHVURJKSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001566076317 1075225325 /nfs/dbraw/zinc/22/53/25/1075225325.db2.gz VTHARJOSYWAHIE-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001566790788 1075345557 /nfs/dbraw/zinc/34/55/57/1075345557.db2.gz YCHCOJBQUREPRH-VQHPVUNQSA-N 2 1 307.482 2.451 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001566804366 1075349695 /nfs/dbraw/zinc/34/96/95/1075349695.db2.gz ZJZUWTSZBDUQSO-CKEIUWERSA-N 2 1 311.445 2.012 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703648 1079392365 /nfs/dbraw/zinc/39/23/65/1079392365.db2.gz SOGNSBDRJHNOBP-IAGOWNOFSA-N 2 1 309.498 2.319 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001566972905 1075405688 /nfs/dbraw/zinc/40/56/88/1075405688.db2.gz WADFBHTXBUSADV-HTBDUDNFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001566972905 1075405692 /nfs/dbraw/zinc/40/56/92/1075405692.db2.gz WADFBHTXBUSADV-HTBDUDNFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001566972905 1075405694 /nfs/dbraw/zinc/40/56/94/1075405694.db2.gz WADFBHTXBUSADV-HTBDUDNFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001567126647 1075438088 /nfs/dbraw/zinc/43/80/88/1075438088.db2.gz AZUAUAPTLVMDOR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001567195526 1075460662 /nfs/dbraw/zinc/46/06/62/1075460662.db2.gz QWKKAQXCCIGXKO-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267758019 1079460321 /nfs/dbraw/zinc/46/03/21/1079460321.db2.gz HUHPTMFJEURPNS-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267769185 1079474453 /nfs/dbraw/zinc/47/44/53/1079474453.db2.gz AUOIDIKXXGAINT-JKSUJKDBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001484555485 1079661592 /nfs/dbraw/zinc/66/15/92/1079661592.db2.gz OEBPKSUCDOELRY-QGZVFWFLSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001484555485 1079661596 /nfs/dbraw/zinc/66/15/96/1079661596.db2.gz OEBPKSUCDOELRY-QGZVFWFLSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001484555485 1079661601 /nfs/dbraw/zinc/66/16/01/1079661601.db2.gz OEBPKSUCDOELRY-QGZVFWFLSA-N 2 1 301.434 2.015 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001484567970 1079665281 /nfs/dbraw/zinc/66/52/81/1079665281.db2.gz BKWJYDUXJPOOSL-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001484899907 1079844188 /nfs/dbraw/zinc/84/41/88/1079844188.db2.gz PXIFWAZBVNTNTR-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC=C)CC1 ZINC001484918958 1079860912 /nfs/dbraw/zinc/86/09/12/1079860912.db2.gz ZWQJLGOQCRTZBW-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC=C)CC1 ZINC001484918958 1079860914 /nfs/dbraw/zinc/86/09/14/1079860914.db2.gz ZWQJLGOQCRTZBW-KRWDZBQOSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001485043195 1079927617 /nfs/dbraw/zinc/92/76/17/1079927617.db2.gz LGCPJGLGZUDACJ-IEBWSBKVSA-N 2 1 324.428 2.139 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001268045086 1079930544 /nfs/dbraw/zinc/93/05/44/1079930544.db2.gz QCTLAJMOAKBNPU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001481487527 1079944875 /nfs/dbraw/zinc/94/48/75/1079944875.db2.gz DQQQLEUQGGGOJE-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001481487527 1079944880 /nfs/dbraw/zinc/94/48/80/1079944880.db2.gz DQQQLEUQGGGOJE-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001481487527 1079944886 /nfs/dbraw/zinc/94/48/86/1079944886.db2.gz DQQQLEUQGGGOJE-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268081980 1080034829 /nfs/dbraw/zinc/03/48/29/1080034829.db2.gz YRUDUBFSZNYRQX-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485255573 1080103169 /nfs/dbraw/zinc/10/31/69/1080103169.db2.gz LYGLSFYRRMKPLW-QGZVFWFLSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001656839906 1080128932 /nfs/dbraw/zinc/12/89/32/1080128932.db2.gz NGDXPIFAWUTANM-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001656839906 1080128934 /nfs/dbraw/zinc/12/89/34/1080128934.db2.gz NGDXPIFAWUTANM-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001656839906 1080128937 /nfs/dbraw/zinc/12/89/37/1080128937.db2.gz NGDXPIFAWUTANM-KURKYZTESA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485467435 1080222866 /nfs/dbraw/zinc/22/28/66/1080222866.db2.gz CMNUICXTMPXGPD-ULQDDVLXSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001660475381 1080336564 /nfs/dbraw/zinc/33/65/64/1080336564.db2.gz MMSLNRRLWQUTES-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268366612 1080377463 /nfs/dbraw/zinc/37/74/63/1080377463.db2.gz NZMTXSHTICKTPA-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481729498 1080397452 /nfs/dbraw/zinc/39/74/52/1080397452.db2.gz WDSUEACAXKQUOO-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001662790313 1080655701 /nfs/dbraw/zinc/65/57/01/1080655701.db2.gz GKWOWYIXEOZUOK-HOTGVXAUSA-N 2 1 304.438 2.175 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001482018257 1080690599 /nfs/dbraw/zinc/69/05/99/1080690599.db2.gz NHVHGKFRNMCKMH-XLAORIBOSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664726246 1080949812 /nfs/dbraw/zinc/94/98/12/1080949812.db2.gz GUQRUIUJDZVJFV-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726246 1080949818 /nfs/dbraw/zinc/94/98/18/1080949818.db2.gz GUQRUIUJDZVJFV-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726246 1080949825 /nfs/dbraw/zinc/94/98/25/1080949825.db2.gz GUQRUIUJDZVJFV-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001664739651 1080952506 /nfs/dbraw/zinc/95/25/06/1080952506.db2.gz CBKINIWEDLQZJE-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268762402 1080972446 /nfs/dbraw/zinc/97/24/46/1080972446.db2.gz HWHLQPOSWDQJLM-HOTGVXAUSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001665157380 1080994268 /nfs/dbraw/zinc/99/42/68/1080994268.db2.gz SGSOSAZOTDBUEQ-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001665157380 1080994278 /nfs/dbraw/zinc/99/42/78/1080994278.db2.gz SGSOSAZOTDBUEQ-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001665617397 1081046819 /nfs/dbraw/zinc/04/68/19/1081046819.db2.gz QGUJINRYICBSIY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001665617397 1081046827 /nfs/dbraw/zinc/04/68/27/1081046827.db2.gz QGUJINRYICBSIY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001665617397 1081046836 /nfs/dbraw/zinc/04/68/36/1081046836.db2.gz QGUJINRYICBSIY-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665632491 1081052485 /nfs/dbraw/zinc/05/24/85/1081052485.db2.gz WAYQGTQLWWIFTO-LSDHHAIUSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001665632491 1081052489 /nfs/dbraw/zinc/05/24/89/1081052489.db2.gz WAYQGTQLWWIFTO-LSDHHAIUSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737136 1081072400 /nfs/dbraw/zinc/07/24/00/1081072400.db2.gz GZQFQDGFVSAFIC-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001665737138 1081073421 /nfs/dbraw/zinc/07/34/21/1081073421.db2.gz GZQFQDGFVSAFIC-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001666767476 1081179961 /nfs/dbraw/zinc/17/99/61/1081179961.db2.gz HFNRMSLKBJEVFJ-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269239984 1081180232 /nfs/dbraw/zinc/18/02/32/1081180232.db2.gz GFKPLMDCSMDPGX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269239984 1081180234 /nfs/dbraw/zinc/18/02/34/1081180234.db2.gz GFKPLMDCSMDPGX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269239984 1081180237 /nfs/dbraw/zinc/18/02/37/1081180237.db2.gz GFKPLMDCSMDPGX-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001269416297 1081245080 /nfs/dbraw/zinc/24/50/80/1081245080.db2.gz ROYQCXTWRKRQGP-HNNXBMFYSA-N 2 1 305.466 2.065 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001667472493 1081255173 /nfs/dbraw/zinc/25/51/73/1081255173.db2.gz ARJBLZSBEWPUGN-SJORKVTESA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001667489346 1081257859 /nfs/dbraw/zinc/25/78/59/1081257859.db2.gz UOJPVRIGMUSWHT-DOTOQJQBSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001269558142 1081290750 /nfs/dbraw/zinc/29/07/50/1081290750.db2.gz WXDWYVVJLXDQKD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558142 1081290756 /nfs/dbraw/zinc/29/07/56/1081290756.db2.gz WXDWYVVJLXDQKD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001269558142 1081290762 /nfs/dbraw/zinc/29/07/62/1081290762.db2.gz WXDWYVVJLXDQKD-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001669001054 1081417763 /nfs/dbraw/zinc/41/77/63/1081417763.db2.gz KCNZOPAZKAPBKP-IGSWWEIZSA-N 2 1 307.482 2.333 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671887336 1081546387 /nfs/dbraw/zinc/54/63/87/1081546387.db2.gz NAZYJOCEKUDKET-PKOBYXMFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001672419530 1081595627 /nfs/dbraw/zinc/59/56/27/1081595627.db2.gz LJPMGEJNWKHSRY-MWDXBVQZSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001672538026 1081610678 /nfs/dbraw/zinc/61/06/78/1081610678.db2.gz MMCKEDWMMSUOIC-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001270749126 1081624293 /nfs/dbraw/zinc/62/42/93/1081624293.db2.gz LFBUFYQXLNRHIC-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672911151 1081720578 /nfs/dbraw/zinc/72/05/78/1081720578.db2.gz QLDMAQOCLSGJFO-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001673241949 1081748936 /nfs/dbraw/zinc/74/89/36/1081748936.db2.gz JGVOAPZXBUWEPQ-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001673385974 1081762815 /nfs/dbraw/zinc/76/28/15/1081762815.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001673385974 1081762823 /nfs/dbraw/zinc/76/28/23/1081762823.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001673385974 1081762832 /nfs/dbraw/zinc/76/28/32/1081762832.db2.gz HSLSCXKARRDRIL-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673934095 1081816605 /nfs/dbraw/zinc/81/66/05/1081816605.db2.gz SVAVPVZTCHPFEP-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673934095 1081816616 /nfs/dbraw/zinc/81/66/16/1081816616.db2.gz SVAVPVZTCHPFEP-FUHWJXTLSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001674354147 1081863351 /nfs/dbraw/zinc/86/33/51/1081863351.db2.gz XFBPJCQMKZDXSR-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001674354147 1081863356 /nfs/dbraw/zinc/86/33/56/1081863356.db2.gz XFBPJCQMKZDXSR-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001674354147 1081863362 /nfs/dbraw/zinc/86/33/62/1081863362.db2.gz XFBPJCQMKZDXSR-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674500134 1081884254 /nfs/dbraw/zinc/88/42/54/1081884254.db2.gz WTDLEHVQMULOCQ-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001674500134 1081884260 /nfs/dbraw/zinc/88/42/60/1081884260.db2.gz WTDLEHVQMULOCQ-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266472667 1082059862 /nfs/dbraw/zinc/05/98/62/1082059862.db2.gz OPOGWUHZDSATTJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266472667 1082059871 /nfs/dbraw/zinc/05/98/71/1082059871.db2.gz OPOGWUHZDSATTJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266472667 1082059881 /nfs/dbraw/zinc/05/98/81/1082059881.db2.gz OPOGWUHZDSATTJ-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024565 1082291878 /nfs/dbraw/zinc/29/18/78/1082291878.db2.gz QBFOZODDWXTGHR-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001272024565 1082291880 /nfs/dbraw/zinc/29/18/80/1082291880.db2.gz QBFOZODDWXTGHR-IAGOWNOFSA-N 2 1 316.449 2.223 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001266872684 1082421495 /nfs/dbraw/zinc/42/14/95/1082421495.db2.gz NEZTUBVQLRJARV-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001276602546 1083508993 /nfs/dbraw/zinc/50/89/93/1083508993.db2.gz AKFQKQRJGZNLFD-MSOLQXFVSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001277434718 1083967191 /nfs/dbraw/zinc/96/71/91/1083967191.db2.gz FXLWHVRUTAVEJW-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001277434718 1083967194 /nfs/dbraw/zinc/96/71/94/1083967194.db2.gz FXLWHVRUTAVEJW-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001490957856 1083972766 /nfs/dbraw/zinc/97/27/66/1083972766.db2.gz FYSREUHGODSWJT-BRWVUGGUSA-N 2 1 301.434 2.102 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001491122403 1084088242 /nfs/dbraw/zinc/08/82/42/1084088242.db2.gz IYNRXUHMPAEQMD-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001491561423 1084156277 /nfs/dbraw/zinc/15/62/77/1084156277.db2.gz VUUUIGQAYRDKQP-NVXWUHKLSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001491284287 1084209359 /nfs/dbraw/zinc/20/93/59/1084209359.db2.gz RPDUUUDTNQPKIX-ZWKOTPCHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298495 1084221217 /nfs/dbraw/zinc/22/12/17/1084221217.db2.gz CFFFVYLZPDUJDS-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491298495 1084221221 /nfs/dbraw/zinc/22/12/21/1084221221.db2.gz CFFFVYLZPDUJDS-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCN(CC[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C(=O)OCC ZINC001235153429 1084329031 /nfs/dbraw/zinc/32/90/31/1084329031.db2.gz SDWUHYWWAHVYFB-KRWDZBQOSA-N 2 1 323.481 2.485 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739032 1084853392 /nfs/dbraw/zinc/85/33/92/1084853392.db2.gz KQSWQMGFPNQTBB-HUUCEWRRSA-N 2 1 316.449 2.210 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001486175675 1085105975 /nfs/dbraw/zinc/10/59/75/1085105975.db2.gz GDRDXKXDAYCQJG-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001486175675 1085105978 /nfs/dbraw/zinc/10/59/78/1085105978.db2.gz GDRDXKXDAYCQJG-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001486175675 1085105980 /nfs/dbraw/zinc/10/59/80/1085105980.db2.gz GDRDXKXDAYCQJG-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965345656 1085593742 /nfs/dbraw/zinc/59/37/42/1085593742.db2.gz CDKPDZVZENJRCR-RFSHTEQGSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961570873 1085791439 /nfs/dbraw/zinc/79/14/39/1085791439.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961570873 1085791446 /nfs/dbraw/zinc/79/14/46/1085791446.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961570873 1085791453 /nfs/dbraw/zinc/79/14/53/1085791453.db2.gz ZUJJKHLYYDZXCB-XWTMOSNGSA-N 2 1 317.477 2.016 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=C)C)CC1 ZINC000963471644 1086467631 /nfs/dbraw/zinc/46/76/31/1086467631.db2.gz NBMJXAUOLGNSRZ-ABHNRTSZSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(=C)C)CC1 ZINC000963471644 1086467636 /nfs/dbraw/zinc/46/76/36/1086467636.db2.gz NBMJXAUOLGNSRZ-ABHNRTSZSA-N 2 1 317.477 2.019 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848537 1088472013 /nfs/dbraw/zinc/47/20/13/1088472013.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848537 1088472020 /nfs/dbraw/zinc/47/20/20/1088472020.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848537 1088472026 /nfs/dbraw/zinc/47/20/26/1088472026.db2.gz ATRXTQRQUVIKFG-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902967 1089093286 /nfs/dbraw/zinc/09/32/86/1089093286.db2.gz VVTXBKYAGCUDJZ-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902967 1089093303 /nfs/dbraw/zinc/09/33/03/1089093303.db2.gz VVTXBKYAGCUDJZ-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902967 1089093321 /nfs/dbraw/zinc/09/33/21/1089093321.db2.gz VVTXBKYAGCUDJZ-NCOADZHNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521598 1089999389 /nfs/dbraw/zinc/99/93/89/1089999389.db2.gz OUKQGFFGCIGFFV-RBSFLKMASA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471709 1090299161 /nfs/dbraw/zinc/29/91/61/1090299161.db2.gz IMABVDSVMCGVKS-CRAIPNDOSA-N 2 1 324.428 2.365 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120128944 1090650449 /nfs/dbraw/zinc/65/04/49/1090650449.db2.gz BLXYECWYJZSZNF-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001273419534 1091324650 /nfs/dbraw/zinc/32/46/50/1091324650.db2.gz WOGVISATFWDONA-HZPDHXFCSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276042056 1091472438 /nfs/dbraw/zinc/47/24/38/1091472438.db2.gz VJDUGGRVXIFRRP-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001490461163 1093394521 /nfs/dbraw/zinc/39/45/21/1093394521.db2.gz OXUNKEKDYMHCKI-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001490461163 1093394531 /nfs/dbraw/zinc/39/45/31/1093394531.db2.gz OXUNKEKDYMHCKI-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490461163 1093394539 /nfs/dbraw/zinc/39/45/39/1093394539.db2.gz OXUNKEKDYMHCKI-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001490461163 1093394551 /nfs/dbraw/zinc/39/45/51/1093394551.db2.gz OXUNKEKDYMHCKI-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490772717 1093522228 /nfs/dbraw/zinc/52/22/28/1093522228.db2.gz QTCCXLCBLLZVMH-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001274124938 1093809412 /nfs/dbraw/zinc/80/94/12/1093809412.db2.gz LIZRWVXJCRUKOM-UIZHIOIMSA-N 2 1 305.466 2.232 20 30 DEEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001318652963 1140379103 /nfs/dbraw/zinc/37/91/03/1140379103.db2.gz MOWKCEMFVORRCY-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319891302 1140800653 /nfs/dbraw/zinc/80/06/53/1140800653.db2.gz TVERKRHUTRYZJB-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319891302 1140800654 /nfs/dbraw/zinc/80/06/54/1140800654.db2.gz TVERKRHUTRYZJB-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319891302 1140800657 /nfs/dbraw/zinc/80/06/57/1140800657.db2.gz TVERKRHUTRYZJB-CALCHBBNSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(CC#N)CC1 ZINC001246304216 1140882994 /nfs/dbraw/zinc/88/29/94/1140882994.db2.gz LLYPNFMYYJQOEQ-GPANFISMSA-N 2 1 307.438 2.275 20 30 DEEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246769756 1141054493 /nfs/dbraw/zinc/05/44/93/1141054493.db2.gz RLBUMXWUBWZYQS-CIQAELJKSA-N 2 1 306.450 2.096 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001323287747 1141837606 /nfs/dbraw/zinc/83/76/06/1141837606.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001323287747 1141837608 /nfs/dbraw/zinc/83/76/08/1141837608.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001323287747 1141837609 /nfs/dbraw/zinc/83/76/09/1141837609.db2.gz UHIDDWFEUBTWHA-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640253 1141873070 /nfs/dbraw/zinc/87/30/70/1141873070.db2.gz CQITWIQAXYCBBR-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001323704986 1141878676 /nfs/dbraw/zinc/87/86/76/1141878676.db2.gz MLMAGJNJTKRFMV-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894058 /nfs/dbraw/zinc/89/40/58/1141894058.db2.gz UNNDZHWOWJOUIK-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894060 /nfs/dbraw/zinc/89/40/60/1141894060.db2.gz UNNDZHWOWJOUIK-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001323860713 1141894061 /nfs/dbraw/zinc/89/40/61/1141894061.db2.gz UNNDZHWOWJOUIK-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001324555586 1142099219 /nfs/dbraw/zinc/09/92/19/1142099219.db2.gz ACIRWPVQAMODAS-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001324555587 1142099578 /nfs/dbraw/zinc/09/95/78/1142099578.db2.gz ACIRWPVQAMODAS-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278571269 1142211679 /nfs/dbraw/zinc/21/16/79/1142211679.db2.gz DISGIIOWCAXXPW-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205771 1143835695 /nfs/dbraw/zinc/83/56/95/1143835695.db2.gz YUVNXHJTDJKIDP-QZTJIDSGSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205771 1143835697 /nfs/dbraw/zinc/83/56/97/1143835697.db2.gz YUVNXHJTDJKIDP-QZTJIDSGSA-N 2 1 308.466 2.154 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001262567702 1144320020 /nfs/dbraw/zinc/32/00/20/1144320020.db2.gz ASJPUBBPMQLSDX-KRWDZBQOSA-N 2 1 308.372 2.076 20 30 DEEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001263243899 1144363223 /nfs/dbraw/zinc/36/32/23/1144363223.db2.gz KQGKLSAAKZLOIR-CQSZACIVSA-N 2 1 301.394 2.032 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001264183343 1144500479 /nfs/dbraw/zinc/50/04/79/1144500479.db2.gz OMOOUPHVQXXBLF-KRWDZBQOSA-N 2 1 324.428 2.202 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001264185815 1144501443 /nfs/dbraw/zinc/50/14/43/1144501443.db2.gz KRWDJRFNAQLSRL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264185815 1144501448 /nfs/dbraw/zinc/50/14/48/1144501448.db2.gz KRWDJRFNAQLSRL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264185815 1144501453 /nfs/dbraw/zinc/50/14/53/1144501453.db2.gz KRWDJRFNAQLSRL-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279104650 1144561080 /nfs/dbraw/zinc/56/10/80/1144561080.db2.gz LBGDOJDCTQXULB-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001264751904 1144607310 /nfs/dbraw/zinc/60/73/10/1144607310.db2.gz QVORBOSKHOUHFI-INIZCTEOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265131282 1144650942 /nfs/dbraw/zinc/65/09/42/1144650942.db2.gz UFAHIFSCGHWTSC-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265131282 1144650945 /nfs/dbraw/zinc/65/09/45/1144650945.db2.gz UFAHIFSCGHWTSC-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001265193705 1144664094 /nfs/dbraw/zinc/66/40/94/1144664094.db2.gz REPCBNSPZMITHF-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001265394951 1144701818 /nfs/dbraw/zinc/70/18/18/1144701818.db2.gz MANJTAVCEZCZKB-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001265394951 1144701820 /nfs/dbraw/zinc/70/18/20/1144701820.db2.gz MANJTAVCEZCZKB-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001265394951 1144701821 /nfs/dbraw/zinc/70/18/21/1144701821.db2.gz MANJTAVCEZCZKB-BZSNNMDCSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001265644844 1144721709 /nfs/dbraw/zinc/72/17/09/1144721709.db2.gz CMFMFRMOXUFHGD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001265644844 1144721712 /nfs/dbraw/zinc/72/17/12/1144721712.db2.gz CMFMFRMOXUFHGD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001265644844 1144721713 /nfs/dbraw/zinc/72/17/13/1144721713.db2.gz CMFMFRMOXUFHGD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265880702 1144750558 /nfs/dbraw/zinc/75/05/58/1144750558.db2.gz QKQYAEAQUIWSMI-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654745 1144826880 /nfs/dbraw/zinc/82/68/80/1144826880.db2.gz YBROQBVVHNTOOX-INIZCTEOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281004214 1144868033 /nfs/dbraw/zinc/86/80/33/1144868033.db2.gz KDYXNHQDHGHMPY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001281969956 1144925318 /nfs/dbraw/zinc/92/53/18/1144925318.db2.gz XTLJMCKHYWWGRS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001281969956 1144925319 /nfs/dbraw/zinc/92/53/19/1144925319.db2.gz XTLJMCKHYWWGRS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001281969956 1144925320 /nfs/dbraw/zinc/92/53/20/1144925320.db2.gz XTLJMCKHYWWGRS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC001282996258 1145229224 /nfs/dbraw/zinc/22/92/24/1145229224.db2.gz LUJONXOCZOXDBN-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282996258 1145229229 /nfs/dbraw/zinc/22/92/29/1145229229.db2.gz LUJONXOCZOXDBN-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC001282996258 1145229233 /nfs/dbraw/zinc/22/92/33/1145229233.db2.gz LUJONXOCZOXDBN-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001283310661 1145355535 /nfs/dbraw/zinc/35/55/35/1145355535.db2.gz NUXJDWDOSKHXEF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001283324813 1145362920 /nfs/dbraw/zinc/36/29/20/1145362920.db2.gz FYUMFHYZZMSIBD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001283324813 1145362928 /nfs/dbraw/zinc/36/29/28/1145362928.db2.gz FYUMFHYZZMSIBD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001283324813 1145362932 /nfs/dbraw/zinc/36/29/32/1145362932.db2.gz FYUMFHYZZMSIBD-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001283913597 1145706373 /nfs/dbraw/zinc/70/63/73/1145706373.db2.gz OORXGGIMSRVADU-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001316641020 1146315039 /nfs/dbraw/zinc/31/50/39/1146315039.db2.gz GUIMMRFSJGXEKY-DSPLQEQRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491884229 1146951718 /nfs/dbraw/zinc/95/17/18/1146951718.db2.gz QOBTWPIVVIOXNK-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234747 1147145296 /nfs/dbraw/zinc/14/52/96/1147145296.db2.gz XTKKNNFQFBPWGC-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001316787635 1147599767 /nfs/dbraw/zinc/59/97/67/1147599767.db2.gz NUNHNEYTKMSJRP-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H]1C ZINC001316787635 1147599770 /nfs/dbraw/zinc/59/97/70/1147599770.db2.gz NUNHNEYTKMSJRP-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H]1C ZINC001316787635 1147599773 /nfs/dbraw/zinc/59/97/73/1147599773.db2.gz NUNHNEYTKMSJRP-WBVHZDCISA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001316933149 1147634330 /nfs/dbraw/zinc/63/43/30/1147634330.db2.gz IYZLLBADXQAGTL-HNNXBMFYSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316991549 1147645500 /nfs/dbraw/zinc/64/55/00/1147645500.db2.gz YJVHNZQTFZOIBJ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316991549 1147645501 /nfs/dbraw/zinc/64/55/01/1147645501.db2.gz YJVHNZQTFZOIBJ-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317037884 1147651471 /nfs/dbraw/zinc/65/14/71/1147651471.db2.gz BWXQDAWEMQSBJX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317037884 1147651473 /nfs/dbraw/zinc/65/14/73/1147651473.db2.gz BWXQDAWEMQSBJX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317037884 1147651476 /nfs/dbraw/zinc/65/14/76/1147651476.db2.gz BWXQDAWEMQSBJX-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317502953 1147716597 /nfs/dbraw/zinc/71/65/97/1147716597.db2.gz VJXHBAIVCLRUFD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502953 1147716598 /nfs/dbraw/zinc/71/65/98/1147716598.db2.gz VJXHBAIVCLRUFD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317502953 1147716599 /nfs/dbraw/zinc/71/65/99/1147716599.db2.gz VJXHBAIVCLRUFD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317622016 1147734049 /nfs/dbraw/zinc/73/40/49/1147734049.db2.gz CJKOHAPAUMHROZ-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001318129364 1147779674 /nfs/dbraw/zinc/77/96/74/1147779674.db2.gz OJKJMZKCDCVOMF-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001318347005 1147814008 /nfs/dbraw/zinc/81/40/08/1147814008.db2.gz NNPREAWRDHSXTP-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC)CC1 ZINC001325656890 1147977238 /nfs/dbraw/zinc/97/72/38/1147977238.db2.gz YSBUITQTFUOJIR-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC)CC1 ZINC001325656890 1147977243 /nfs/dbraw/zinc/97/72/43/1147977243.db2.gz YSBUITQTFUOJIR-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP CCc1ccc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)s1 ZINC000261754291 529638084 /nfs/dbraw/zinc/63/80/84/529638084.db2.gz MFQKARMQEANYRO-MLGOLLRUSA-N 2 1 320.506 2.458 20 30 DEEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000264068326 529792358 /nfs/dbraw/zinc/79/23/58/529792358.db2.gz CEEWSRMYLWZQQJ-JTQLQIEISA-N 2 1 316.327 2.264 20 30 DEEDMP CCNC(NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)=[NH+]CC ZINC000066242516 354705785 /nfs/dbraw/zinc/70/57/85/354705785.db2.gz DFGGDVOHGNCSPN-QGZVFWFLSA-N 2 1 318.465 2.407 20 30 DEEDMP CC(C)[N@@H+](C)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181653865 356089563 /nfs/dbraw/zinc/08/95/63/356089563.db2.gz RYCSXUWLBHTAHP-UHFFFAOYSA-N 2 1 314.477 2.452 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598724293 359306115 /nfs/dbraw/zinc/30/61/15/359306115.db2.gz NTXDSYJMGBDXAA-MSOLQXFVSA-N 2 1 315.461 2.399 20 30 DEEDMP CC(C)[NH+]1CCC(N2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602799606 360560799 /nfs/dbraw/zinc/56/07/99/360560799.db2.gz ZXOPKDOKEMKBMA-UHFFFAOYSA-N 2 1 304.482 2.171 20 30 DEEDMP C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186687614 402455315 /nfs/dbraw/zinc/45/53/15/402455315.db2.gz BEHRQUXHXZLWQE-CADBVGFASA-N 2 1 300.446 2.424 20 30 DEEDMP C#CCNC(=[NH+]C)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000261968753 402720566 /nfs/dbraw/zinc/72/05/66/402720566.db2.gz MDBJGAOUWMQIBF-RBUKOAKNSA-N 2 1 324.472 2.182 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000264748244 402892456 /nfs/dbraw/zinc/89/24/56/402892456.db2.gz ALGIRNWCRQZUCM-OAHLLOKOSA-N 2 1 314.433 2.465 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264748244 402892457 /nfs/dbraw/zinc/89/24/57/402892457.db2.gz ALGIRNWCRQZUCM-OAHLLOKOSA-N 2 1 314.433 2.465 20 30 DEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266941498 403001494 /nfs/dbraw/zinc/00/14/94/403001494.db2.gz RKYOPCNBAGXERL-UKRRQHHQSA-N 2 1 323.400 2.488 20 30 DEEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266941498 403001496 /nfs/dbraw/zinc/00/14/96/403001496.db2.gz RKYOPCNBAGXERL-UKRRQHHQSA-N 2 1 323.400 2.488 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645543 403102514 /nfs/dbraw/zinc/10/25/14/403102514.db2.gz FKPIMCWYOVHUOO-PKOBYXMFSA-N 2 1 313.445 2.399 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000268645543 403102516 /nfs/dbraw/zinc/10/25/16/403102516.db2.gz FKPIMCWYOVHUOO-PKOBYXMFSA-N 2 1 313.445 2.399 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000285221388 403279694 /nfs/dbraw/zinc/27/96/94/403279694.db2.gz XIYMZNQLVNBJAQ-IRXDYDNUSA-N 2 1 318.465 2.105 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000285221388 403279697 /nfs/dbraw/zinc/27/96/97/403279697.db2.gz XIYMZNQLVNBJAQ-IRXDYDNUSA-N 2 1 318.465 2.105 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000295052278 403744440 /nfs/dbraw/zinc/74/44/40/403744440.db2.gz QJKQURLLKDUBQE-CYBMUJFWSA-N 2 1 309.479 2.246 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000295052278 403744444 /nfs/dbraw/zinc/74/44/44/403744444.db2.gz QJKQURLLKDUBQE-CYBMUJFWSA-N 2 1 309.479 2.246 20 30 DEEDMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C2CC2)CC1 ZINC000328773013 404148586 /nfs/dbraw/zinc/14/85/86/404148586.db2.gz RQSWSJDDIRPSED-CYBMUJFWSA-N 2 1 302.422 2.276 20 30 DEEDMP C[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000370112858 404339438 /nfs/dbraw/zinc/33/94/38/404339438.db2.gz PXANTCZGVJMROF-INIZCTEOSA-N 2 1 316.424 2.350 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000357751202 404742605 /nfs/dbraw/zinc/74/26/05/404742605.db2.gz UCWAKIOLFUODCH-INIZCTEOSA-N 2 1 324.513 2.447 20 30 DEEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424150211 405023752 /nfs/dbraw/zinc/02/37/52/405023752.db2.gz YKJUALFHNREFGE-HUUCEWRRSA-N 2 1 308.470 2.024 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000565592968 406074287 /nfs/dbraw/zinc/07/42/87/406074287.db2.gz AWLHQPQBFCYPLK-LJQANCHMSA-N 2 1 318.461 2.194 20 30 DEEDMP COC(=O)c1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1C#N ZINC000533775947 406162071 /nfs/dbraw/zinc/16/20/71/406162071.db2.gz NPGLVRLTWAZRHV-UHFFFAOYSA-N 2 1 315.417 2.118 20 30 DEEDMP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000535207356 406215823 /nfs/dbraw/zinc/21/58/23/406215823.db2.gz RMIUZPYJYUSGSU-AWEZNQCLSA-N 2 1 324.384 2.448 20 30 DEEDMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C#N ZINC000535207356 406215828 /nfs/dbraw/zinc/21/58/28/406215828.db2.gz RMIUZPYJYUSGSU-AWEZNQCLSA-N 2 1 324.384 2.448 20 30 DEEDMP N#CCCOCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200904 226181736 /nfs/dbraw/zinc/18/17/36/226181736.db2.gz KSCPEYMBCJZCOX-RBUKOAKNSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200904 226181741 /nfs/dbraw/zinc/18/17/41/226181741.db2.gz KSCPEYMBCJZCOX-RBUKOAKNSA-N 2 1 313.445 2.371 20 30 DEEDMP N#CCCOCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000339200904 226181743 /nfs/dbraw/zinc/18/17/43/226181743.db2.gz KSCPEYMBCJZCOX-RBUKOAKNSA-N 2 1 313.445 2.371 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328260205 1148756795 /nfs/dbraw/zinc/75/67/95/1148756795.db2.gz RUKIPJARYYJYBU-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422973491 230301419 /nfs/dbraw/zinc/30/14/19/230301419.db2.gz BYOOIJRFPAANGL-LXZKKBNFSA-N 2 1 316.424 2.396 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000664015355 425289740 /nfs/dbraw/zinc/28/97/40/425289740.db2.gz GXNFFBQPIPCJLP-UHFFFAOYSA-N 2 1 324.513 2.447 20 30 DEEDMP C=CCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000665763693 425641428 /nfs/dbraw/zinc/64/14/28/425641428.db2.gz JDTDXARUFHLKPS-INIZCTEOSA-N 2 1 324.513 2.447 20 30 DEEDMP C=CCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000665763693 425641431 /nfs/dbraw/zinc/64/14/31/425641431.db2.gz JDTDXARUFHLKPS-INIZCTEOSA-N 2 1 324.513 2.447 20 30 DEEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000582660200 337117207 /nfs/dbraw/zinc/11/72/07/337117207.db2.gz OUXYTJZNFPSKBZ-LYAPFXNSSA-N 2 1 314.433 2.231 20 30 DEEDMP N#CCC[C@H](C#N)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959530 340378629 /nfs/dbraw/zinc/37/86/29/340378629.db2.gz ZDTJJXGXMGTYQL-MRXNPFEDSA-N 2 1 304.438 2.007 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001378444503 1152331522 /nfs/dbraw/zinc/33/15/22/1152331522.db2.gz NADRFJMXKVTGLE-LSDHHAIUSA-N 2 1 315.889 2.488 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1OC ZINC000267388664 533989623 /nfs/dbraw/zinc/98/96/23/533989623.db2.gz CHKPQGJHYCAYHA-UHFFFAOYSA-N 2 1 320.437 2.305 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)N1CCCC1 ZINC000262150088 526369538 /nfs/dbraw/zinc/36/95/38/526369538.db2.gz RAXSXMCTYMHNSO-HNNXBMFYSA-N 2 1 304.438 2.396 20 30 DEEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NCC(C)(C)c1cccs1 ZINC000262547584 526377342 /nfs/dbraw/zinc/37/73/42/526377342.db2.gz SKMOWWBTSNFKRN-CYBMUJFWSA-N 2 1 308.495 2.285 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000294893918 526827495 /nfs/dbraw/zinc/82/74/95/526827495.db2.gz FCQOXWRKSIPUMH-QGZVFWFLSA-N 2 1 315.461 2.129 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000294893918 526827498 /nfs/dbraw/zinc/82/74/98/526827498.db2.gz FCQOXWRKSIPUMH-QGZVFWFLSA-N 2 1 315.461 2.129 20 30 DEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000422838610 527651507 /nfs/dbraw/zinc/65/15/07/527651507.db2.gz XTICXQKQKKIBNF-BRSBDYLESA-N 2 1 309.498 2.027 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001025459485 625453154 /nfs/dbraw/zinc/45/31/54/625453154.db2.gz OKHPGJCAMPFEPY-CABCVRRESA-N 2 1 324.428 2.417 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704503 625482947 /nfs/dbraw/zinc/48/29/47/625482947.db2.gz QTNVHDJAKMKTJK-PKOBYXMFSA-N 2 1 315.461 2.182 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025523272 625499485 /nfs/dbraw/zinc/49/94/85/625499485.db2.gz LCIMEGUMFNENEU-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001026561046 625523483 /nfs/dbraw/zinc/52/34/83/625523483.db2.gz MBLIJQPQWKFUJM-WLYUNCDWSA-N 2 1 313.873 2.240 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156188 622595042 /nfs/dbraw/zinc/59/50/42/622595042.db2.gz LVLDEYGKHCJVHB-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156188 622595046 /nfs/dbraw/zinc/59/50/46/622595046.db2.gz LVLDEYGKHCJVHB-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969708497 622890910 /nfs/dbraw/zinc/89/09/10/622890910.db2.gz ZVXDHLSGGSJCJA-BHYGNILZSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316460 623395834 /nfs/dbraw/zinc/39/58/34/623395834.db2.gz DCLIUJFIXVFPJE-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641041 624467311 /nfs/dbraw/zinc/46/73/11/624467311.db2.gz KSVSYLXCBUZQJH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000971641041 624467312 /nfs/dbraw/zinc/46/73/12/624467312.db2.gz KSVSYLXCBUZQJH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000971641041 624467314 /nfs/dbraw/zinc/46/73/14/624467314.db2.gz KSVSYLXCBUZQJH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000971641041 624467315 /nfs/dbraw/zinc/46/73/15/624467315.db2.gz KSVSYLXCBUZQJH-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651851 634385965 /nfs/dbraw/zinc/38/59/65/634385965.db2.gz OMZRDTXXGUWKCJ-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027651851 634385968 /nfs/dbraw/zinc/38/59/68/634385968.db2.gz OMZRDTXXGUWKCJ-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027651851 634385976 /nfs/dbraw/zinc/38/59/76/634385976.db2.gz OMZRDTXXGUWKCJ-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027651851 634385978 /nfs/dbraw/zinc/38/59/78/634385978.db2.gz OMZRDTXXGUWKCJ-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007498365 625274492 /nfs/dbraw/zinc/27/44/92/625274492.db2.gz KGDFKOJMBNBKSF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498365 625274495 /nfs/dbraw/zinc/27/44/95/625274495.db2.gz KGDFKOJMBNBKSF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007498365 625274499 /nfs/dbraw/zinc/27/44/99/625274499.db2.gz KGDFKOJMBNBKSF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001027693968 634448796 /nfs/dbraw/zinc/44/87/96/634448796.db2.gz OCIXUIWVLZICFM-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818561 625785274 /nfs/dbraw/zinc/78/52/74/625785274.db2.gz ORZYARZXYADDEM-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818561 625785277 /nfs/dbraw/zinc/78/52/77/625785277.db2.gz ORZYARZXYADDEM-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818561 625785287 /nfs/dbraw/zinc/78/52/87/625785287.db2.gz ORZYARZXYADDEM-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479813 625809428 /nfs/dbraw/zinc/80/94/28/625809428.db2.gz QFISHKVRTBDIMG-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479813 625809430 /nfs/dbraw/zinc/80/94/30/625809430.db2.gz QFISHKVRTBDIMG-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557486 625875945 /nfs/dbraw/zinc/87/59/45/625875945.db2.gz VFRCVAGLVGVHAS-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999373493 634570036 /nfs/dbraw/zinc/57/00/36/634570036.db2.gz QJCJHHOVDPCBHA-KBPBESRZSA-N 2 1 322.840 2.094 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974679115 633231483 /nfs/dbraw/zinc/23/14/83/633231483.db2.gz GMGZTNQAZILJIH-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679115 633231504 /nfs/dbraw/zinc/23/15/04/633231504.db2.gz GMGZTNQAZILJIH-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974679115 633231507 /nfs/dbraw/zinc/23/15/07/633231507.db2.gz GMGZTNQAZILJIH-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434349 633757074 /nfs/dbraw/zinc/75/70/74/633757074.db2.gz LXMQCGWEMXGVKG-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001027519848 633973355 /nfs/dbraw/zinc/97/33/55/633973355.db2.gz XUPBHIQNONRRPO-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000977456808 633994714 /nfs/dbraw/zinc/99/47/14/633994714.db2.gz VOJXJXZCRFWJQL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456808 633994718 /nfs/dbraw/zinc/99/47/18/633994718.db2.gz VOJXJXZCRFWJQL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977456808 633994721 /nfs/dbraw/zinc/99/47/21/633994721.db2.gz VOJXJXZCRFWJQL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602073 634255744 /nfs/dbraw/zinc/25/57/44/634255744.db2.gz KRCCBLYJKWBQCF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027603084 634266218 /nfs/dbraw/zinc/26/62/18/634266218.db2.gz DIBGYCSFJCDDBK-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491724 635022754 /nfs/dbraw/zinc/02/27/54/635022754.db2.gz WHPBPMILCRIIEK-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491724 635022756 /nfs/dbraw/zinc/02/27/56/635022756.db2.gz WHPBPMILCRIIEK-QZTJIDSGSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985570 635168598 /nfs/dbraw/zinc/16/85/98/635168598.db2.gz LDGQVPJTZAUAEP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027985570 635168600 /nfs/dbraw/zinc/16/86/00/635168600.db2.gz LDGQVPJTZAUAEP-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029799 635309894 /nfs/dbraw/zinc/30/98/94/635309894.db2.gz MDJCRPKQWYRKNX-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000981161976 635342493 /nfs/dbraw/zinc/34/24/93/635342493.db2.gz KUQZFQQGLJDJLC-UHFFFAOYSA-N 2 1 312.417 2.367 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001001003496 635375898 /nfs/dbraw/zinc/37/58/98/635375898.db2.gz AOBBCHRFRHKZIW-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1sccc1C#N ZINC000931835061 635446525 /nfs/dbraw/zinc/44/65/25/635446525.db2.gz LDBCQVBYXZANAT-LBPRGKRZSA-N 2 1 323.466 2.013 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001392476 635475921 /nfs/dbraw/zinc/47/59/21/635475921.db2.gz KSAUKNSPSAJEQH-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372267 635479978 /nfs/dbraw/zinc/47/99/78/635479978.db2.gz SFVHENNCHVLNOS-QZTJIDSGSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001370148 635480143 /nfs/dbraw/zinc/48/01/43/635480143.db2.gz HLRDZZXZFNDAOK-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438052 635483012 /nfs/dbraw/zinc/48/30/12/635483012.db2.gz JELNZJSOWYGHIK-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438052 635483014 /nfs/dbraw/zinc/48/30/14/635483014.db2.gz JELNZJSOWYGHIK-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438052 635483015 /nfs/dbraw/zinc/48/30/15/635483015.db2.gz JELNZJSOWYGHIK-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001925336 635579094 /nfs/dbraw/zinc/57/90/94/635579094.db2.gz PFUGGQDLDLUEDO-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981800496 635655705 /nfs/dbraw/zinc/65/57/05/635655705.db2.gz GUMPSXRRNBWZOL-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981800496 635655708 /nfs/dbraw/zinc/65/57/08/635655708.db2.gz GUMPSXRRNBWZOL-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981800496 635655710 /nfs/dbraw/zinc/65/57/10/635655710.db2.gz GUMPSXRRNBWZOL-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811967 635666476 /nfs/dbraw/zinc/66/64/76/635666476.db2.gz DAKPOSQRLZHTBH-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981967786 635777401 /nfs/dbraw/zinc/77/74/01/635777401.db2.gz JLJBJNBGUQMXKJ-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981967786 635777406 /nfs/dbraw/zinc/77/74/06/635777406.db2.gz JLJBJNBGUQMXKJ-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013284 635811567 /nfs/dbraw/zinc/81/15/67/635811567.db2.gz PPMHSZOZQIQLFZ-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013284 635811571 /nfs/dbraw/zinc/81/15/71/635811571.db2.gz PPMHSZOZQIQLFZ-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013284 635811574 /nfs/dbraw/zinc/81/15/74/635811574.db2.gz PPMHSZOZQIQLFZ-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074867 635861028 /nfs/dbraw/zinc/86/10/28/635861028.db2.gz FRVIQAJGUNDFOP-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074867 635861031 /nfs/dbraw/zinc/86/10/31/635861031.db2.gz FRVIQAJGUNDFOP-UHFFFAOYSA-N 2 1 304.438 2.117 20 30 DEEDMP CC#CCN1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC001028239707 635946059 /nfs/dbraw/zinc/94/60/59/635946059.db2.gz VCRPUEUQPVVZKY-SFHVURJKSA-N 2 1 322.412 2.090 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004460730 636460507 /nfs/dbraw/zinc/46/05/07/636460507.db2.gz WEOUVSAKOZEXMF-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004472310 636464106 /nfs/dbraw/zinc/46/41/06/636464106.db2.gz GGMQXBLNJLEUIO-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623959 636477429 /nfs/dbraw/zinc/47/74/29/636477429.db2.gz WHBBLGJDIIPSFM-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004539999 636485681 /nfs/dbraw/zinc/48/56/81/636485681.db2.gz AOOFCWYCGFSWDD-FUHWJXTLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005388701 636729567 /nfs/dbraw/zinc/72/95/67/636729567.db2.gz AXDWKZOUZLDJAB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005491243 636750524 /nfs/dbraw/zinc/75/05/24/636750524.db2.gz FOHYDGJNJBDJQI-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921101 636854320 /nfs/dbraw/zinc/85/43/20/636854320.db2.gz MFONFTATICZKBH-KRWDZBQOSA-N 2 1 319.493 2.123 20 30 DEEDMP CC(C)CNC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056290 636907569 /nfs/dbraw/zinc/90/75/69/636907569.db2.gz QZUGYKFTZKCSHW-KRWDZBQOSA-N 2 1 302.466 2.457 20 30 DEEDMP CN(C)C(=[NH+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000187056215 636907592 /nfs/dbraw/zinc/90/75/92/636907592.db2.gz KGZVKNWOSOPIAH-QGZVFWFLSA-N 2 1 302.466 2.376 20 30 DEEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005871156 636920956 /nfs/dbraw/zinc/92/09/56/636920956.db2.gz LIZUTZINIOCHMN-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923347816 637126124 /nfs/dbraw/zinc/12/61/24/637126124.db2.gz XQGDHBJSLOZIDR-LSDHHAIUSA-N 2 1 321.490 2.414 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923347816 637126131 /nfs/dbraw/zinc/12/61/31/637126131.db2.gz XQGDHBJSLOZIDR-LSDHHAIUSA-N 2 1 321.490 2.414 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006292839 637332421 /nfs/dbraw/zinc/33/24/21/637332421.db2.gz UYXDKWQMHAHVCG-UHFFFAOYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC000985696332 639589673 /nfs/dbraw/zinc/58/96/73/639589673.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000985696332 639589674 /nfs/dbraw/zinc/58/96/74/639589674.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000985696332 639589675 /nfs/dbraw/zinc/58/96/75/639589675.db2.gz JBLGGLPOEBUVJW-CQSZACIVSA-N 2 1 304.438 2.087 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000985801224 639642643 /nfs/dbraw/zinc/64/26/43/639642643.db2.gz BDDFVNJWCBVYBP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000985801224 639642645 /nfs/dbraw/zinc/64/26/45/639642645.db2.gz BDDFVNJWCBVYBP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000985801224 639642648 /nfs/dbraw/zinc/64/26/48/639642648.db2.gz BDDFVNJWCBVYBP-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990694024 641607293 /nfs/dbraw/zinc/60/72/93/641607293.db2.gz ZOWYOPIPQNHAFZ-ZHALLVOQSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900335714 642324779 /nfs/dbraw/zinc/32/47/79/642324779.db2.gz KCLQNHQXUSSJFG-GASCZTMLSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000908182506 644774760 /nfs/dbraw/zinc/77/47/60/644774760.db2.gz KMDQXXCWGFYJMM-UHFFFAOYSA-N 2 1 307.438 2.068 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501317 646549750 /nfs/dbraw/zinc/54/97/50/646549750.db2.gz YEFAWMLKZWTLBF-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991858802 646671590 /nfs/dbraw/zinc/67/15/90/646671590.db2.gz HLCXMXOVENSFOW-SJLPKXTDSA-N 2 1 310.401 2.247 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991992958 646822904 /nfs/dbraw/zinc/82/29/04/646822904.db2.gz HCIUNWVMHPVABZ-ZHALLVOQSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136594 646867726 /nfs/dbraw/zinc/86/77/26/646867726.db2.gz KNWUSUUZGMDAEX-OVWQWFNUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136594 646867730 /nfs/dbraw/zinc/86/77/30/646867730.db2.gz KNWUSUUZGMDAEX-OVWQWFNUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992136594 646867734 /nfs/dbraw/zinc/86/77/34/646867734.db2.gz KNWUSUUZGMDAEX-OVWQWFNUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992821432 647281568 /nfs/dbraw/zinc/28/15/68/647281568.db2.gz VJLQGDWTRGUZIM-BRWVUGGUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535337 647691927 /nfs/dbraw/zinc/69/19/27/647691927.db2.gz JDAVXNCCZUPCPD-YOEHRIQHSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994057660 647782930 /nfs/dbraw/zinc/78/29/30/647782930.db2.gz RFMSKCPTQNKJNQ-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865438 648958056 /nfs/dbraw/zinc/95/80/56/648958056.db2.gz ZBFKYVLKRQYNTL-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944171669 649490977 /nfs/dbraw/zinc/49/09/77/649490977.db2.gz ZTGYWFNEGAKBKE-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944171669 649490979 /nfs/dbraw/zinc/49/09/79/649490979.db2.gz ZTGYWFNEGAKBKE-HOCLYGCPSA-N 2 1 316.449 2.164 20 30 DEEDMP C#CCCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847566868 651403080 /nfs/dbraw/zinc/40/30/80/651403080.db2.gz FFDLIRCIJZHPDA-UHFFFAOYSA-N 2 1 319.493 2.102 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000304763020 685261098 /nfs/dbraw/zinc/26/10/98/685261098.db2.gz WJCRIYLDXZKZRX-BZUAXINKSA-N 2 1 324.513 2.216 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000304813455 685262239 /nfs/dbraw/zinc/26/22/39/685262239.db2.gz YZGUCZHSEAIORY-HZPDHXFCSA-N 2 1 318.465 2.151 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145864 693861889 /nfs/dbraw/zinc/86/18/89/693861889.db2.gz YZSFRZIVUYHLAM-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145864 693861892 /nfs/dbraw/zinc/86/18/92/693861892.db2.gz YZSFRZIVUYHLAM-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145864 693861895 /nfs/dbraw/zinc/86/18/95/693861895.db2.gz YZSFRZIVUYHLAM-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177652 693871936 /nfs/dbraw/zinc/87/19/36/693871936.db2.gz PLSVTOPQHQNHPF-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cnc1C)C2 ZINC001054234078 693894055 /nfs/dbraw/zinc/89/40/55/693894055.db2.gz WUNXBAAWLXOGFY-SFHVURJKSA-N 2 1 316.449 2.151 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054826559 694054982 /nfs/dbraw/zinc/05/49/82/694054982.db2.gz MPPFFESWVYUMRU-HOCLYGCPSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001018177470 688071241 /nfs/dbraw/zinc/07/12/41/688071241.db2.gz DHBIYAKTKWTGMF-GASCZTMLSA-N 2 1 314.433 2.013 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH+]ccc1N(C)C ZINC001018177470 688071246 /nfs/dbraw/zinc/07/12/46/688071246.db2.gz DHBIYAKTKWTGMF-GASCZTMLSA-N 2 1 314.433 2.013 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001018301413 688104807 /nfs/dbraw/zinc/10/48/07/688104807.db2.gz RAYCRXUXYFATDP-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001018301413 688104812 /nfs/dbraw/zinc/10/48/12/688104812.db2.gz RAYCRXUXYFATDP-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001018301413 688104813 /nfs/dbraw/zinc/10/48/13/688104813.db2.gz RAYCRXUXYFATDP-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001018301413 688104816 /nfs/dbraw/zinc/10/48/16/688104816.db2.gz RAYCRXUXYFATDP-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001018966538 688262950 /nfs/dbraw/zinc/26/29/50/688262950.db2.gz LVWLIZUAMONQPK-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001020340685 688505990 /nfs/dbraw/zinc/50/59/90/688505990.db2.gz VRXNNJLBZZRGKB-RBSFLKMASA-N 2 1 313.873 2.096 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845557 688544821 /nfs/dbraw/zinc/54/48/21/688544821.db2.gz MLWJBYZXWGQRSP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845557 688544822 /nfs/dbraw/zinc/54/48/22/688544822.db2.gz MLWJBYZXWGQRSP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845557 688544824 /nfs/dbraw/zinc/54/48/24/688544824.db2.gz MLWJBYZXWGQRSP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001031437966 688918126 /nfs/dbraw/zinc/91/81/26/688918126.db2.gz OVLYOXVAXYUMGK-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1=O ZINC000872157756 688941516 /nfs/dbraw/zinc/94/15/16/688941516.db2.gz QUMDZWRPPYEUBC-JQHSSLGASA-N 2 1 319.493 2.393 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076742 689378833 /nfs/dbraw/zinc/37/88/33/689378833.db2.gz OBMGFSSYRJZMCV-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001033125431 689398123 /nfs/dbraw/zinc/39/81/23/689398123.db2.gz DSBPMUADQVQTRN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125431 689398127 /nfs/dbraw/zinc/39/81/27/689398127.db2.gz DSBPMUADQVQTRN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001033125431 689398129 /nfs/dbraw/zinc/39/81/29/689398129.db2.gz DSBPMUADQVQTRN-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033145891 689403986 /nfs/dbraw/zinc/40/39/86/689403986.db2.gz LNGBDFHFEILXEN-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033145891 689403988 /nfs/dbraw/zinc/40/39/88/689403988.db2.gz LNGBDFHFEILXEN-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033145891 689403989 /nfs/dbraw/zinc/40/39/89/689403989.db2.gz LNGBDFHFEILXEN-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548404 689537674 /nfs/dbraw/zinc/53/76/74/689537674.db2.gz QLVZBIIBSCTMER-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825585 689628253 /nfs/dbraw/zinc/62/82/53/689628253.db2.gz FPPNHQBFHDUGDJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825585 689628254 /nfs/dbraw/zinc/62/82/54/689628254.db2.gz FPPNHQBFHDUGDJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825585 689628256 /nfs/dbraw/zinc/62/82/56/689628256.db2.gz FPPNHQBFHDUGDJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437050 689851288 /nfs/dbraw/zinc/85/12/88/689851288.db2.gz CZQCMXRSUMIMEP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437050 689851293 /nfs/dbraw/zinc/85/12/93/689851293.db2.gz CZQCMXRSUMIMEP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034437050 689851298 /nfs/dbraw/zinc/85/12/98/689851298.db2.gz CZQCMXRSUMIMEP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034660515 689920980 /nfs/dbraw/zinc/92/09/80/689920980.db2.gz BYHBJJUWNSXKAY-ULQDDVLXSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000876737507 689921940 /nfs/dbraw/zinc/92/19/40/689921940.db2.gz RWKNWMPZWBJGAM-YPMHNXCESA-N 2 1 301.862 2.083 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000876765014 689930411 /nfs/dbraw/zinc/93/04/11/689930411.db2.gz YHVAAXMSWMOHTR-KBPBESRZSA-N 2 1 315.889 2.473 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001034775409 689945494 /nfs/dbraw/zinc/94/54/94/689945494.db2.gz OEEFCYCMWXUUAJ-BZSNNMDCSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876989097 689992103 /nfs/dbraw/zinc/99/21/03/689992103.db2.gz OKZNZOUYVVJXBS-GDBMZVCRSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000876989097 689992107 /nfs/dbraw/zinc/99/21/07/689992107.db2.gz OKZNZOUYVVJXBS-GDBMZVCRSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198549 690057390 /nfs/dbraw/zinc/05/73/90/690057390.db2.gz MFFRZYTZYIOQCK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198549 690057393 /nfs/dbraw/zinc/05/73/93/690057393.db2.gz MFFRZYTZYIOQCK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198549 690057398 /nfs/dbraw/zinc/05/73/98/690057398.db2.gz MFFRZYTZYIOQCK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254472 690074967 /nfs/dbraw/zinc/07/49/67/690074967.db2.gz IKWUSEFSRCUZST-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254472 690074970 /nfs/dbraw/zinc/07/49/70/690074970.db2.gz IKWUSEFSRCUZST-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001036184562 690284603 /nfs/dbraw/zinc/28/46/03/690284603.db2.gz YSRUXKMKKKUWHX-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036206462 690291110 /nfs/dbraw/zinc/29/11/10/690291110.db2.gz JXAVYEQCJWCJFY-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859458 690501488 /nfs/dbraw/zinc/50/14/88/690501488.db2.gz QBDKWHJPKYZSSJ-ZWKOTPCHSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904370 690522498 /nfs/dbraw/zinc/52/24/98/690522498.db2.gz QXBBLXQHBNTIFL-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038343264 690788538 /nfs/dbraw/zinc/78/85/38/690788538.db2.gz YOIYEDDKBLVAGI-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038343264 690788542 /nfs/dbraw/zinc/78/85/42/690788542.db2.gz YOIYEDDKBLVAGI-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038343264 690788546 /nfs/dbraw/zinc/78/85/46/690788546.db2.gz YOIYEDDKBLVAGI-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001038779841 690924516 /nfs/dbraw/zinc/92/45/16/690924516.db2.gz KQJWRAIXBLWIOC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038779841 690924518 /nfs/dbraw/zinc/92/45/18/690924518.db2.gz KQJWRAIXBLWIOC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001038779841 690924521 /nfs/dbraw/zinc/92/45/21/690924521.db2.gz KQJWRAIXBLWIOC-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000931481610 694408975 /nfs/dbraw/zinc/40/89/75/694408975.db2.gz VBCMHJXLVVEKCH-UHFFFAOYSA-N 2 1 307.825 2.100 20 30 DEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173210 691038952 /nfs/dbraw/zinc/03/89/52/691038952.db2.gz QFAFLNGYAJLQOL-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173210 691038955 /nfs/dbraw/zinc/03/89/55/691038955.db2.gz QFAFLNGYAJLQOL-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173210 691038959 /nfs/dbraw/zinc/03/89/59/691038959.db2.gz QFAFLNGYAJLQOL-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173211 691039106 /nfs/dbraw/zinc/03/91/06/691039106.db2.gz QFAFLNGYAJLQOL-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173211 691039108 /nfs/dbraw/zinc/03/91/08/691039108.db2.gz QFAFLNGYAJLQOL-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173211 691039109 /nfs/dbraw/zinc/03/91/09/691039109.db2.gz QFAFLNGYAJLQOL-ZWKOTPCHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039224707 691060025 /nfs/dbraw/zinc/06/00/25/691060025.db2.gz IPSZMDOUKPUTCH-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224223 691060360 /nfs/dbraw/zinc/06/03/60/691060360.db2.gz DPODJPWFCBHANA-DLBZAZTESA-N 2 1 316.449 2.162 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231212 691062509 /nfs/dbraw/zinc/06/25/09/691062509.db2.gz UYATYCHVWFQMGL-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231212 691062512 /nfs/dbraw/zinc/06/25/12/691062512.db2.gz UYATYCHVWFQMGL-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231208 691062727 /nfs/dbraw/zinc/06/27/27/691062727.db2.gz UYATYCHVWFQMGL-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039231208 691062729 /nfs/dbraw/zinc/06/27/29/691062729.db2.gz UYATYCHVWFQMGL-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474365 691115210 /nfs/dbraw/zinc/11/52/10/691115210.db2.gz DEYJNDVAZVJHLZ-SQNIBIBYSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201688 691212868 /nfs/dbraw/zinc/21/28/68/691212868.db2.gz NGLFISZTVDZIBQ-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201688 691212869 /nfs/dbraw/zinc/21/28/69/691212869.db2.gz NGLFISZTVDZIBQ-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201688 691212870 /nfs/dbraw/zinc/21/28/70/691212870.db2.gz NGLFISZTVDZIBQ-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209250 691213656 /nfs/dbraw/zinc/21/36/56/691213656.db2.gz HQZVKESTRSTAGI-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209250 691213659 /nfs/dbraw/zinc/21/36/59/691213659.db2.gz HQZVKESTRSTAGI-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209250 691213663 /nfs/dbraw/zinc/21/36/63/691213663.db2.gz HQZVKESTRSTAGI-LMMKCTJWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264031 691222651 /nfs/dbraw/zinc/22/26/51/691222651.db2.gz KVVLBMXRUCTLJT-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264031 691222652 /nfs/dbraw/zinc/22/26/52/691222652.db2.gz KVVLBMXRUCTLJT-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264031 691222653 /nfs/dbraw/zinc/22/26/53/691222653.db2.gz KVVLBMXRUCTLJT-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040938462 691299853 /nfs/dbraw/zinc/29/98/53/691299853.db2.gz FDAYXMNHFZKNQT-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041356859 691367457 /nfs/dbraw/zinc/36/74/57/691367457.db2.gz CJWCFOMVKMEZBU-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356859 691367461 /nfs/dbraw/zinc/36/74/61/691367461.db2.gz CJWCFOMVKMEZBU-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041356859 691367466 /nfs/dbraw/zinc/36/74/66/691367466.db2.gz CJWCFOMVKMEZBU-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cnc(-c2ccncc2)s1 ZINC000883131025 691436182 /nfs/dbraw/zinc/43/61/82/691436182.db2.gz CDDSOPXBSFDHPT-UHFFFAOYSA-N 2 1 300.431 2.250 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000883131025 691436184 /nfs/dbraw/zinc/43/61/84/691436184.db2.gz CDDSOPXBSFDHPT-UHFFFAOYSA-N 2 1 300.431 2.250 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000883131025 691436185 /nfs/dbraw/zinc/43/61/85/691436185.db2.gz CDDSOPXBSFDHPT-UHFFFAOYSA-N 2 1 300.431 2.250 20 30 DEEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000883216578 691458854 /nfs/dbraw/zinc/45/88/54/691458854.db2.gz SHNZUTHVXCXLPX-AEFFLSMTSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000883216578 691458856 /nfs/dbraw/zinc/45/88/56/691458856.db2.gz SHNZUTHVXCXLPX-AEFFLSMTSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCCO1 ZINC000883220959 691460106 /nfs/dbraw/zinc/46/01/06/691460106.db2.gz RSAVYCIMIVXXSH-IAGOWNOFSA-N 2 1 309.498 2.116 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063534 691495972 /nfs/dbraw/zinc/49/59/72/691495972.db2.gz YNYFLAYSTTUAMC-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042353892 691580136 /nfs/dbraw/zinc/58/01/36/691580136.db2.gz BNJRJCTZYFPGDN-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042353892 691580140 /nfs/dbraw/zinc/58/01/40/691580140.db2.gz BNJRJCTZYFPGDN-SJORKVTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044002405 691757265 /nfs/dbraw/zinc/75/72/65/691757265.db2.gz BPUSHZIAYXWQKQ-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045949047 692060611 /nfs/dbraw/zinc/06/06/11/692060611.db2.gz XRFMPTZWGCPTHO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949047 692060613 /nfs/dbraw/zinc/06/06/13/692060613.db2.gz XRFMPTZWGCPTHO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045949047 692060615 /nfs/dbraw/zinc/06/06/15/692060615.db2.gz XRFMPTZWGCPTHO-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1ccnc1C)C2 ZINC001045984445 692068950 /nfs/dbraw/zinc/06/89/50/692068950.db2.gz APGJLUCIOAAHGP-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984445 692068953 /nfs/dbraw/zinc/06/89/53/692068953.db2.gz APGJLUCIOAAHGP-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984445 692068956 /nfs/dbraw/zinc/06/89/56/692068956.db2.gz APGJLUCIOAAHGP-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886719868 692172489 /nfs/dbraw/zinc/17/24/89/692172489.db2.gz KASGNNWBTHCYRG-INIZCTEOSA-N 2 1 305.466 2.382 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001046569159 692227129 /nfs/dbraw/zinc/22/71/29/692227129.db2.gz HDWOKIOEHFYGPD-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569159 692227133 /nfs/dbraw/zinc/22/71/33/692227133.db2.gz HDWOKIOEHFYGPD-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001046569159 692227137 /nfs/dbraw/zinc/22/71/37/692227137.db2.gz HDWOKIOEHFYGPD-XYJFISCASA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048527817 692640397 /nfs/dbraw/zinc/64/03/97/692640397.db2.gz WEWSXIBDLLZJSF-XMTFNYHQSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527817 692640401 /nfs/dbraw/zinc/64/04/01/692640401.db2.gz WEWSXIBDLLZJSF-XMTFNYHQSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048527817 692640405 /nfs/dbraw/zinc/64/04/05/692640405.db2.gz WEWSXIBDLLZJSF-XMTFNYHQSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556408 692646458 /nfs/dbraw/zinc/64/64/58/692646458.db2.gz GCTHEDFQXZWQOM-TXTZMMAHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556408 692646461 /nfs/dbraw/zinc/64/64/61/692646461.db2.gz GCTHEDFQXZWQOM-TXTZMMAHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556408 692646464 /nfs/dbraw/zinc/64/64/64/692646464.db2.gz GCTHEDFQXZWQOM-TXTZMMAHSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480513 692895680 /nfs/dbraw/zinc/89/56/80/692895680.db2.gz FOZLJWSDBTXADM-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480513 692895684 /nfs/dbraw/zinc/89/56/84/692895684.db2.gz FOZLJWSDBTXADM-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480513 692895687 /nfs/dbraw/zinc/89/56/87/692895687.db2.gz FOZLJWSDBTXADM-MHORFTMASA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049486542 692897709 /nfs/dbraw/zinc/89/77/09/692897709.db2.gz REGMSCFHYKQKQV-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486542 692897714 /nfs/dbraw/zinc/89/77/14/692897714.db2.gz REGMSCFHYKQKQV-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486542 692897716 /nfs/dbraw/zinc/89/77/16/692897716.db2.gz REGMSCFHYKQKQV-BRSBDYLESA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049525444 692912019 /nfs/dbraw/zinc/91/20/19/692912019.db2.gz QOMJHTMNRNHCIP-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549765 692918439 /nfs/dbraw/zinc/91/84/39/692918439.db2.gz ISXYBHLZRXFOFG-IKGGRYGDSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566934 692923817 /nfs/dbraw/zinc/92/38/17/692923817.db2.gz HFBNGPJGLFLYLH-SJORKVTESA-N 2 1 317.477 2.256 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049592761 692934877 /nfs/dbraw/zinc/93/48/77/692934877.db2.gz JRUMNLUIYBBCOG-DLBZAZTESA-N 2 1 310.401 2.199 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049805367 693006230 /nfs/dbraw/zinc/00/62/30/693006230.db2.gz JNUSHDWLULJUBH-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208159 693138697 /nfs/dbraw/zinc/13/86/97/693138697.db2.gz DNKDSXMULOPYLX-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766614 693247135 /nfs/dbraw/zinc/24/71/35/693247135.db2.gz TZRGTEZBARUXSV-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052378174 693519192 /nfs/dbraw/zinc/51/91/92/693519192.db2.gz SQYQBBMPUGKPMP-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)CC1 ZINC001052456308 693538952 /nfs/dbraw/zinc/53/89/52/693538952.db2.gz DFLNRTSPFQAZNO-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001052456308 693538956 /nfs/dbraw/zinc/53/89/56/693538956.db2.gz DFLNRTSPFQAZNO-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC001052456308 693538960 /nfs/dbraw/zinc/53/89/60/693538960.db2.gz DFLNRTSPFQAZNO-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC(=C)C)CC1 ZINC001052456308 693538964 /nfs/dbraw/zinc/53/89/64/693538964.db2.gz DFLNRTSPFQAZNO-MSOLQXFVSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591627 693574211 /nfs/dbraw/zinc/57/42/11/693574211.db2.gz PUBYGDNAEXUPMJ-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000932464406 694620838 /nfs/dbraw/zinc/62/08/38/694620838.db2.gz ZAISKLFWSSNCLT-KRWDZBQOSA-N 2 1 315.461 2.139 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC/C=C\CC)C1 ZINC001333082406 1149991632 /nfs/dbraw/zinc/99/16/32/1149991632.db2.gz NPRVLRQJCAORAW-MJUMSYKNSA-N 2 1 317.477 2.019 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001373024414 1156836934 /nfs/dbraw/zinc/83/69/34/1156836934.db2.gz BDYULFCYXRJVES-CQSZACIVSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001392796368 1157422097 /nfs/dbraw/zinc/42/20/97/1157422097.db2.gz LLAKVQCXNHNGNU-AWEZNQCLSA-N 2 1 324.856 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001394205931 1158367727 /nfs/dbraw/zinc/36/77/27/1158367727.db2.gz PSHIEWDBKGMHIN-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001398449347 1160894134 /nfs/dbraw/zinc/89/41/34/1160894134.db2.gz AMXFHMGJKUIPCY-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001398449347 1160894135 /nfs/dbraw/zinc/89/41/35/1160894135.db2.gz AMXFHMGJKUIPCY-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001398449347 1160894140 /nfs/dbraw/zinc/89/41/40/1160894140.db2.gz AMXFHMGJKUIPCY-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001403772724 1163164492 /nfs/dbraw/zinc/16/44/92/1163164492.db2.gz QEFXLUJRXCHUNV-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001399389228 1161374760 /nfs/dbraw/zinc/37/47/60/1161374760.db2.gz MNDXXEMVUJQPHQ-HUUCEWRRSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001401239677 1161901676 /nfs/dbraw/zinc/90/16/76/1161901676.db2.gz NNNTXSMHWZNMBK-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001401340132 1161938311 /nfs/dbraw/zinc/93/83/11/1161938311.db2.gz TYUGMEHIRYOUTI-KKUMJFAQSA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001402088964 1162242817 /nfs/dbraw/zinc/24/28/17/1162242817.db2.gz LERFTCPHNZTJEQ-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001402088964 1162242819 /nfs/dbraw/zinc/24/28/19/1162242819.db2.gz LERFTCPHNZTJEQ-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001417898244 1167291147 /nfs/dbraw/zinc/29/11/47/1167291147.db2.gz HWRRHAFUKZWEDG-LSDHHAIUSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420589654 1169815495 /nfs/dbraw/zinc/81/54/95/1169815495.db2.gz HAQQKRKBGXRHPC-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420589654 1169815498 /nfs/dbraw/zinc/81/54/98/1169815498.db2.gz HAQQKRKBGXRHPC-UHFFFAOYSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001420811676 1171191535 /nfs/dbraw/zinc/19/15/35/1171191535.db2.gz ZOIUUZWNUHJHHL-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001421638391 1171877865 /nfs/dbraw/zinc/87/78/65/1171877865.db2.gz OPEOUBDEUMNOSI-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001421638391 1171877867 /nfs/dbraw/zinc/87/78/67/1171877867.db2.gz OPEOUBDEUMNOSI-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638391 1171877868 /nfs/dbraw/zinc/87/78/68/1171877868.db2.gz OPEOUBDEUMNOSI-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638391 1171877871 /nfs/dbraw/zinc/87/78/71/1171877871.db2.gz OPEOUBDEUMNOSI-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001421886283 1172089318 /nfs/dbraw/zinc/08/93/18/1172089318.db2.gz GNGIUPBKACQMEA-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439858269 1181277321 /nfs/dbraw/zinc/27/73/21/1181277321.db2.gz MNZSCSXHJYZXAK-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001439858269 1181277326 /nfs/dbraw/zinc/27/73/26/1181277326.db2.gz MNZSCSXHJYZXAK-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439858269 1181277331 /nfs/dbraw/zinc/27/73/31/1181277331.db2.gz MNZSCSXHJYZXAK-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439858269 1181277336 /nfs/dbraw/zinc/27/73/36/1181277336.db2.gz MNZSCSXHJYZXAK-GDBMZVCRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182752 1181374163 /nfs/dbraw/zinc/37/41/63/1181374163.db2.gz CDHIOGJGWIGGRP-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001440182752 1181374168 /nfs/dbraw/zinc/37/41/68/1181374168.db2.gz CDHIOGJGWIGGRP-CABCVRRESA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001440493815 1181559717 /nfs/dbraw/zinc/55/97/17/1181559717.db2.gz GYCCWFBACGHMBE-KFWWJZLASA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001440493815 1181559722 /nfs/dbraw/zinc/55/97/22/1181559722.db2.gz GYCCWFBACGHMBE-KFWWJZLASA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001440493815 1181559732 /nfs/dbraw/zinc/55/97/32/1181559732.db2.gz GYCCWFBACGHMBE-KFWWJZLASA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001440493815 1181559747 /nfs/dbraw/zinc/55/97/47/1181559747.db2.gz GYCCWFBACGHMBE-KFWWJZLASA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001441350573 1181952937 /nfs/dbraw/zinc/95/29/37/1181952937.db2.gz HNBLIOSEFHJZBE-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001442220536 1182375383 /nfs/dbraw/zinc/37/53/83/1182375383.db2.gz OTKRUXLCEIMFBI-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001442220536 1182375390 /nfs/dbraw/zinc/37/53/90/1182375390.db2.gz OTKRUXLCEIMFBI-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001442220536 1182375394 /nfs/dbraw/zinc/37/53/94/1182375394.db2.gz OTKRUXLCEIMFBI-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001442220536 1182375399 /nfs/dbraw/zinc/37/53/99/1182375399.db2.gz OTKRUXLCEIMFBI-HNNXBMFYSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001442335364 1182424681 /nfs/dbraw/zinc/42/46/81/1182424681.db2.gz GNUIYKUCSMOLST-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC001443512338 1183010351 /nfs/dbraw/zinc/01/03/51/1183010351.db2.gz CTYDPXOYRPBZJD-UHFFFAOYSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001444373611 1183362524 /nfs/dbraw/zinc/36/25/24/1183362524.db2.gz ICYPXRCEUVCDBB-ZFWWWQNUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239786 782810978 /nfs/dbraw/zinc/81/09/78/782810978.db2.gz JXMNEJHLYGQNNL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239786 782810983 /nfs/dbraw/zinc/81/09/83/782810983.db2.gz JXMNEJHLYGQNNL-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471407 783146723 /nfs/dbraw/zinc/14/67/23/783146723.db2.gz BTTDIYCMBBJVQT-HOCLYGCPSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552995 783170385 /nfs/dbraw/zinc/17/03/85/783170385.db2.gz YSTAZHOARAUJEO-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089558525 783205037 /nfs/dbraw/zinc/20/50/37/783205037.db2.gz IEZNOMZQSSTIOY-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089558525 783205042 /nfs/dbraw/zinc/20/50/42/783205042.db2.gz IEZNOMZQSSTIOY-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033731 790407110 /nfs/dbraw/zinc/40/71/10/790407110.db2.gz SULUYXCMXYFZKK-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033731 790407117 /nfs/dbraw/zinc/40/71/17/790407117.db2.gz SULUYXCMXYFZKK-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033731 790407124 /nfs/dbraw/zinc/40/71/24/790407124.db2.gz SULUYXCMXYFZKK-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125970 790472121 /nfs/dbraw/zinc/47/21/21/790472121.db2.gz QTLUXXRHDUNMEK-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]cc2cc[nH]c21 ZINC001171069926 790551278 /nfs/dbraw/zinc/55/12/78/790551278.db2.gz SELKJBSQRBEJKW-ZDUSSCGKSA-N 2 1 302.378 2.202 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435040 778003409 /nfs/dbraw/zinc/00/34/09/778003409.db2.gz DWDVFTHQNRXUFZ-SFHVURJKSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593750 779370528 /nfs/dbraw/zinc/37/05/28/779370528.db2.gz UVAKMBHTJZHXAI-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593750 779370533 /nfs/dbraw/zinc/37/05/33/779370533.db2.gz UVAKMBHTJZHXAI-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593750 779370538 /nfs/dbraw/zinc/37/05/38/779370538.db2.gz UVAKMBHTJZHXAI-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636518 779388939 /nfs/dbraw/zinc/38/89/39/779388939.db2.gz VMNUOLMMXDKLPW-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636518 779388942 /nfs/dbraw/zinc/38/89/42/779388942.db2.gz VMNUOLMMXDKLPW-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636518 779388946 /nfs/dbraw/zinc/38/89/46/779388946.db2.gz VMNUOLMMXDKLPW-KSZLIROESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704955 779416033 /nfs/dbraw/zinc/41/60/33/779416033.db2.gz OPMJVGWYUQVPND-JKSUJKDBSA-N 2 1 319.449 2.500 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704955 779416039 /nfs/dbraw/zinc/41/60/39/779416039.db2.gz OPMJVGWYUQVPND-JKSUJKDBSA-N 2 1 319.449 2.500 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792274 779453647 /nfs/dbraw/zinc/45/36/47/779453647.db2.gz WJSDYBVGGGRQIG-RCCFBDPRSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792274 779453650 /nfs/dbraw/zinc/45/36/50/779453650.db2.gz WJSDYBVGGGRQIG-RCCFBDPRSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792274 779453653 /nfs/dbraw/zinc/45/36/53/779453653.db2.gz WJSDYBVGGGRQIG-RCCFBDPRSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001088427474 780110970 /nfs/dbraw/zinc/11/09/70/780110970.db2.gz WJYQEONLVCKOHW-OAHLLOKOSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168162351 780305844 /nfs/dbraw/zinc/30/58/44/780305844.db2.gz JGHCIDGITFRUEI-UHFFFAOYSA-N 2 1 304.438 2.034 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088656964 780695548 /nfs/dbraw/zinc/69/55/48/780695548.db2.gz MKNMAEFRTSGIBP-CABCVRRESA-N 2 1 304.438 2.082 20 30 DEEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616797 783280148 /nfs/dbraw/zinc/28/01/48/783280148.db2.gz NYUFCRYWSYPFBB-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616523 783281949 /nfs/dbraw/zinc/28/19/49/783281949.db2.gz JHZSJWDVAVTKHV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616523 783281953 /nfs/dbraw/zinc/28/19/53/783281953.db2.gz JHZSJWDVAVTKHV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616523 783281962 /nfs/dbraw/zinc/28/19/62/783281962.db2.gz JHZSJWDVAVTKHV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948369230 783441810 /nfs/dbraw/zinc/44/18/10/783441810.db2.gz XRHNPQRMSBPJMQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948369230 783441813 /nfs/dbraw/zinc/44/18/13/783441813.db2.gz XRHNPQRMSBPJMQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000948369230 783441817 /nfs/dbraw/zinc/44/18/17/783441817.db2.gz XRHNPQRMSBPJMQ-MSOLQXFVSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966102523 783562994 /nfs/dbraw/zinc/56/29/94/783562994.db2.gz JBJFREMEILSXFN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001085217645 783588532 /nfs/dbraw/zinc/58/85/32/783588532.db2.gz KQGHJBLGXRHUDG-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374417 783968810 /nfs/dbraw/zinc/96/88/10/783968810.db2.gz BPMPOCJYWKMMKO-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918420 784212372 /nfs/dbraw/zinc/21/23/72/784212372.db2.gz CMINIVPTMDUKAN-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918420 784212378 /nfs/dbraw/zinc/21/23/78/784212378.db2.gz CMINIVPTMDUKAN-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918420 784212388 /nfs/dbraw/zinc/21/23/88/784212388.db2.gz CMINIVPTMDUKAN-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330508 784293328 /nfs/dbraw/zinc/29/33/28/784293328.db2.gz AAYWSXCKCKOBDZ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461042 784400006 /nfs/dbraw/zinc/40/00/06/784400006.db2.gz ZIQCFONVNWJTER-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849696 784616709 /nfs/dbraw/zinc/61/67/09/784616709.db2.gz DDGBFYWHFWMCBE-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968849696 784616714 /nfs/dbraw/zinc/61/67/14/784616714.db2.gz DDGBFYWHFWMCBE-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968849696 784616720 /nfs/dbraw/zinc/61/67/20/784616720.db2.gz DDGBFYWHFWMCBE-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387194 784640376 /nfs/dbraw/zinc/64/03/76/784640376.db2.gz VBYMGKVYFTTXSV-BFYDXBDKSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001007457372 784925806 /nfs/dbraw/zinc/92/58/06/784925806.db2.gz MGHPJWQBSCKWPM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115303690 785374367 /nfs/dbraw/zinc/37/43/67/785374367.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303690 785374374 /nfs/dbraw/zinc/37/43/74/785374374.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303690 785374383 /nfs/dbraw/zinc/37/43/83/785374383.db2.gz IGPDKIQQIRAWST-VQFNDLOPSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821205 785561201 /nfs/dbraw/zinc/56/12/01/785561201.db2.gz DUCWSLYQBHBGRC-BBWFWOEESA-N 2 1 316.449 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649975 785974372 /nfs/dbraw/zinc/97/43/72/785974372.db2.gz MKOSLTROAPCIJC-NCOADZHNSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857903 786087400 /nfs/dbraw/zinc/08/74/00/786087400.db2.gz JCQRVFMNRMGLEF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857903 786087406 /nfs/dbraw/zinc/08/74/06/786087406.db2.gz JCQRVFMNRMGLEF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857903 786087413 /nfs/dbraw/zinc/08/74/13/786087413.db2.gz JCQRVFMNRMGLEF-IKGGRYGDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865428 786089498 /nfs/dbraw/zinc/08/94/98/786089498.db2.gz PEUWXLJDIJICPB-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112966297 786333254 /nfs/dbraw/zinc/33/32/54/786333254.db2.gz WKVOAHNCZLBLQH-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001113008494 786358037 /nfs/dbraw/zinc/35/80/37/786358037.db2.gz RUZLVYOIOIKPGH-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115014111 786405266 /nfs/dbraw/zinc/40/52/66/786405266.db2.gz ZLZGMOJUZAWKEJ-VXNCWWDNSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022265 787454906 /nfs/dbraw/zinc/45/49/06/787454906.db2.gz IHNUCKUOZNEVSE-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096022265 787454912 /nfs/dbraw/zinc/45/49/12/787454912.db2.gz IHNUCKUOZNEVSE-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207819 787966433 /nfs/dbraw/zinc/96/64/33/787966433.db2.gz XJTRXHFJYLETTO-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207819 787966442 /nfs/dbraw/zinc/96/64/42/787966442.db2.gz XJTRXHFJYLETTO-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132207819 787966448 /nfs/dbraw/zinc/96/64/48/787966448.db2.gz XJTRXHFJYLETTO-DLBZAZTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219128 788025668 /nfs/dbraw/zinc/02/56/68/788025668.db2.gz UOWLYXSFCFKZEV-BDXSIMOUSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219128 788025676 /nfs/dbraw/zinc/02/56/76/788025676.db2.gz UOWLYXSFCFKZEV-BDXSIMOUSA-N 2 1 317.477 2.301 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219128 788025690 /nfs/dbraw/zinc/02/56/90/788025690.db2.gz UOWLYXSFCFKZEV-BDXSIMOUSA-N 2 1 317.477 2.301 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493993 788104787 /nfs/dbraw/zinc/10/47/87/788104787.db2.gz OYCUOGZDJDAMAD-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086700654 788283982 /nfs/dbraw/zinc/28/39/82/788283982.db2.gz DWKPIGNKCMPMAT-VVLHAWIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133225069 788322142 /nfs/dbraw/zinc/32/21/42/788322142.db2.gz GCUBHZZXWYBKMQ-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133850957 788632542 /nfs/dbraw/zinc/63/25/42/788632542.db2.gz SHQOBLKFSASSKG-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467473 789355808 /nfs/dbraw/zinc/35/58/08/789355808.db2.gz GKKPIKUXURTJGQ-KGLIPLIRSA-N 2 1 315.889 2.344 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398054522 790242542 /nfs/dbraw/zinc/24/25/42/790242542.db2.gz ZBXLVBVBKGEHTF-LZLYRXPVSA-N 2 1 301.434 2.415 20 30 DEEDMP C[C@H](C#N)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398054522 790242545 /nfs/dbraw/zinc/24/25/45/790242545.db2.gz ZBXLVBVBKGEHTF-LZLYRXPVSA-N 2 1 301.434 2.415 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001147851951 791630021 /nfs/dbraw/zinc/63/00/21/791630021.db2.gz OMTHTTRRDASUOU-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477589 791752977 /nfs/dbraw/zinc/75/29/77/791752977.db2.gz YULNXONQERIEJO-QGZVFWFLSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091909945 791898481 /nfs/dbraw/zinc/89/84/81/791898481.db2.gz FRSVQOXZGDLNSK-APWZRJJASA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463336 792003025 /nfs/dbraw/zinc/00/30/25/792003025.db2.gz KKNZUGYUZJGODM-BDXSIMOUSA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098959621 792004127 /nfs/dbraw/zinc/00/41/27/792004127.db2.gz JPGWUYLEULLWJS-LNLFQRSKSA-N 2 1 317.477 2.018 20 30 DEEDMP C#CCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536242 792709976 /nfs/dbraw/zinc/70/99/76/792709976.db2.gz QOZGFCNQMQILDD-UHFFFAOYSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100988977 792956548 /nfs/dbraw/zinc/95/65/48/792956548.db2.gz BBRXGSBGFZZPBK-UHFFFAOYSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337742 793274219 /nfs/dbraw/zinc/27/42/19/793274219.db2.gz SBSXVWYVJRZFAN-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102524995 793640301 /nfs/dbraw/zinc/64/03/01/793640301.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524995 793640307 /nfs/dbraw/zinc/64/03/07/793640307.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524995 793640315 /nfs/dbraw/zinc/64/03/15/793640315.db2.gz HFJIEVGSFBJDJN-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426745 794088305 /nfs/dbraw/zinc/08/83/05/794088305.db2.gz LDRPYXWOZUNGBV-KURKYZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534118 794137062 /nfs/dbraw/zinc/13/70/62/794137062.db2.gz SWTRYTIKCOVBGV-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534118 794137066 /nfs/dbraw/zinc/13/70/66/794137066.db2.gz SWTRYTIKCOVBGV-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647074 794176198 /nfs/dbraw/zinc/17/61/98/794176198.db2.gz SYVVCPAQVSRRQT-IAGOWNOFSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703751 794278133 /nfs/dbraw/zinc/27/81/33/794278133.db2.gz KVTCCQHHKQJNSV-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210937 794427071 /nfs/dbraw/zinc/42/70/71/794427071.db2.gz JTCIXVKFXVKGGT-BRSBDYLESA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861134 794504102 /nfs/dbraw/zinc/50/41/02/794504102.db2.gz WGVMMRZBOLNCIB-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)CN1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111950886 794532711 /nfs/dbraw/zinc/53/27/11/794532711.db2.gz GVNKDQHFKAJHJQ-HOCLYGCPSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952321 794533132 /nfs/dbraw/zinc/53/31/32/794533132.db2.gz CBSVJGKSMBOOEX-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267574 794629318 /nfs/dbraw/zinc/62/93/18/794629318.db2.gz SOHJHFIXZRQQEQ-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456097 794669346 /nfs/dbraw/zinc/66/93/46/794669346.db2.gz PGWSSYZHBBWLAM-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCCC1 ZINC001115535451 794812464 /nfs/dbraw/zinc/81/24/64/794812464.db2.gz WPDFGHGBFLJQSG-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179586436 795137803 /nfs/dbraw/zinc/13/78/03/795137803.db2.gz OQAWXXYEYJQFRU-IRXDYDNUSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CCO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001118051076 795146159 /nfs/dbraw/zinc/14/61/59/795146159.db2.gz VIBYTKOHTCXJOV-LJQANCHMSA-N 2 1 316.445 2.296 20 30 DEEDMP C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001118051076 795146162 /nfs/dbraw/zinc/14/61/62/795146162.db2.gz VIBYTKOHTCXJOV-LJQANCHMSA-N 2 1 316.445 2.296 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450043 795463569 /nfs/dbraw/zinc/46/35/69/795463569.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450043 795463574 /nfs/dbraw/zinc/46/35/74/795463574.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450043 795463578 /nfs/dbraw/zinc/46/35/78/795463578.db2.gz RSZDQAXPTZRWED-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120458660 795464476 /nfs/dbraw/zinc/46/44/76/795464476.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458660 795464485 /nfs/dbraw/zinc/46/44/85/795464485.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458660 795464490 /nfs/dbraw/zinc/46/44/90/795464490.db2.gz IEDCFQHHCLUECR-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469196 795466809 /nfs/dbraw/zinc/46/68/09/795466809.db2.gz IFLIOGZNAHNGAW-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469196 795466812 /nfs/dbraw/zinc/46/68/12/795466812.db2.gz IFLIOGZNAHNGAW-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671484 795518073 /nfs/dbraw/zinc/51/80/73/795518073.db2.gz OLZYLQAOHMJXLH-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001183228317 795828629 /nfs/dbraw/zinc/82/86/29/795828629.db2.gz GSRLVGNKDUQVPW-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168700 796200847 /nfs/dbraw/zinc/20/08/47/796200847.db2.gz IUYQPJYXAZSJHG-SJORKVTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185445150 796258290 /nfs/dbraw/zinc/25/82/90/796258290.db2.gz FCDRTALXIGBFRQ-ZFWWWQNUSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185693287 796306225 /nfs/dbraw/zinc/30/62/25/796306225.db2.gz YYEFRJWXBLQQCR-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP CC[N@H+]1CCO[C@@H]2CN(Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140114693 796479026 /nfs/dbraw/zinc/47/90/26/796479026.db2.gz ZYORECKWZMRYBG-QFBILLFUSA-N 2 1 324.428 2.192 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203026688 796511465 /nfs/dbraw/zinc/51/14/65/796511465.db2.gz AMBXPDVIJJNXQT-JKSUJKDBSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432547 796828395 /nfs/dbraw/zinc/82/83/95/796828395.db2.gz DSZKSDLUESTLEW-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432547 796828396 /nfs/dbraw/zinc/82/83/96/796828396.db2.gz DSZKSDLUESTLEW-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986780 797293802 /nfs/dbraw/zinc/29/38/02/797293802.db2.gz BJTBRFRANXMECT-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378054 797376689 /nfs/dbraw/zinc/37/66/89/797376689.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378054 797376697 /nfs/dbraw/zinc/37/66/97/797376697.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378054 797376704 /nfs/dbraw/zinc/37/67/04/797376704.db2.gz RHPWOZOLBKGKIK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153823872 797404679 /nfs/dbraw/zinc/40/46/79/797404679.db2.gz BSIIVAHPJDWMJZ-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153823872 797404685 /nfs/dbraw/zinc/40/46/85/797404685.db2.gz BSIIVAHPJDWMJZ-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001154083281 797458175 /nfs/dbraw/zinc/45/81/75/797458175.db2.gz PBFUCRCSXPRGCN-CVEARBPZSA-N 2 1 318.465 2.238 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099666 797463280 /nfs/dbraw/zinc/46/32/80/797463280.db2.gz NNVAUVDURDJJRC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099666 797463282 /nfs/dbraw/zinc/46/32/82/797463282.db2.gz NNVAUVDURDJJRC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099666 797463284 /nfs/dbraw/zinc/46/32/84/797463284.db2.gz NNVAUVDURDJJRC-MRXNPFEDSA-N 2 1 321.509 2.489 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641751 798082096 /nfs/dbraw/zinc/08/20/96/798082096.db2.gz OTTZXEMJHXBFOJ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641751 798082100 /nfs/dbraw/zinc/08/21/00/798082100.db2.gz OTTZXEMJHXBFOJ-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109054 798145271 /nfs/dbraw/zinc/14/52/71/798145271.db2.gz HYNCZIQHGDNSRL-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109054 798145272 /nfs/dbraw/zinc/14/52/72/798145272.db2.gz HYNCZIQHGDNSRL-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109054 798145274 /nfs/dbraw/zinc/14/52/74/798145274.db2.gz HYNCZIQHGDNSRL-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109054 798145275 /nfs/dbraw/zinc/14/52/75/798145275.db2.gz HYNCZIQHGDNSRL-HUUCEWRRSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287499 798177379 /nfs/dbraw/zinc/17/73/79/798177379.db2.gz ZGKXXXBUSSYECY-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287499 798177382 /nfs/dbraw/zinc/17/73/82/798177382.db2.gz ZGKXXXBUSSYECY-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287499 798177384 /nfs/dbraw/zinc/17/73/84/798177384.db2.gz ZGKXXXBUSSYECY-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287499 798177386 /nfs/dbraw/zinc/17/73/86/798177386.db2.gz ZGKXXXBUSSYECY-MRXNPFEDSA-N 2 1 303.450 2.131 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480444 798413559 /nfs/dbraw/zinc/41/35/59/798413559.db2.gz MHAAAZXLLGFEAW-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480444 798413564 /nfs/dbraw/zinc/41/35/64/798413564.db2.gz MHAAAZXLLGFEAW-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480444 798413571 /nfs/dbraw/zinc/41/35/71/798413571.db2.gz MHAAAZXLLGFEAW-QGZVFWFLSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866622 798481832 /nfs/dbraw/zinc/48/18/32/798481832.db2.gz TYNJTWKNHAMAME-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158866622 798481834 /nfs/dbraw/zinc/48/18/34/798481834.db2.gz TYNJTWKNHAMAME-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158866622 798481835 /nfs/dbraw/zinc/48/18/35/798481835.db2.gz TYNJTWKNHAMAME-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160500120 798696766 /nfs/dbraw/zinc/69/67/66/798696766.db2.gz LKOLKTFPELFMFS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500120 798696767 /nfs/dbraw/zinc/69/67/67/798696767.db2.gz LKOLKTFPELFMFS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160500120 798696768 /nfs/dbraw/zinc/69/67/68/798696768.db2.gz LKOLKTFPELFMFS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161207246 798809251 /nfs/dbraw/zinc/80/92/51/798809251.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161207246 798809257 /nfs/dbraw/zinc/80/92/57/798809257.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161207246 798809263 /nfs/dbraw/zinc/80/92/63/798809263.db2.gz RFUGWFVLZFFFPF-QGZVFWFLSA-N 2 1 319.493 2.433 20 30 DEEDMP C[Si](C)(C)C#Cc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001161872495 798954546 /nfs/dbraw/zinc/95/45/46/798954546.db2.gz FRXZNXCIAIHCAH-UHFFFAOYSA-N 2 1 316.525 2.146 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413520 799094865 /nfs/dbraw/zinc/09/48/65/799094865.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413520 799094870 /nfs/dbraw/zinc/09/48/70/799094870.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 2 1 321.509 2.488 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413520 799094880 /nfs/dbraw/zinc/09/48/80/799094880.db2.gz BCLIHYQUKDIGFD-DZFIZOCASA-N 2 1 321.509 2.488 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202526646 799105204 /nfs/dbraw/zinc/10/52/04/799105204.db2.gz NCHZEGYNWCNNAJ-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508889 799612764 /nfs/dbraw/zinc/61/27/64/799612764.db2.gz NXMFDVITSMCPFQ-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531184 799617773 /nfs/dbraw/zinc/61/77/73/799617773.db2.gz AQRBSZKSNQBYDQ-SJORKVTESA-N 2 1 319.493 2.313 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165331812 799706408 /nfs/dbraw/zinc/70/64/08/799706408.db2.gz DFXBTNLAPYPMRH-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735468 799766855 /nfs/dbraw/zinc/76/68/55/799766855.db2.gz AHHDGZDVMANXDR-SJORKVTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110979047 799807031 /nfs/dbraw/zinc/80/70/31/799807031.db2.gz OREICERMTKIVHY-DDBAPUKQSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284185 800337227 /nfs/dbraw/zinc/33/72/27/800337227.db2.gz KAWWESATAZHOFN-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481254 800540783 /nfs/dbraw/zinc/54/07/83/800540783.db2.gz FCKCOBFPZHDHFD-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952218 800640169 /nfs/dbraw/zinc/64/01/69/800640169.db2.gz DSQNWKYSSICFRR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C[NH+](C)CC(C)(C)C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001207283182 800722232 /nfs/dbraw/zinc/72/22/32/800722232.db2.gz VKPWLOUAFDUJHJ-UHFFFAOYSA-N 2 1 315.465 2.053 20 30 DEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001207283182 800722234 /nfs/dbraw/zinc/72/22/34/800722234.db2.gz VKPWLOUAFDUJHJ-UHFFFAOYSA-N 2 1 315.465 2.053 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001207393533 800742444 /nfs/dbraw/zinc/74/24/44/800742444.db2.gz BRQMQTIFBHDDBO-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435035 800751251 /nfs/dbraw/zinc/75/12/51/800751251.db2.gz DRWNPNFITZXXAR-ROUUACIJSA-N 2 1 308.466 2.060 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014127 800892512 /nfs/dbraw/zinc/89/25/12/800892512.db2.gz MNHRWSXDEURJPM-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001208074148 800906684 /nfs/dbraw/zinc/90/66/84/800906684.db2.gz STPMOVMEKHDXII-HOTGVXAUSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209267938 801163503 /nfs/dbraw/zinc/16/35/03/801163503.db2.gz YOHAKRLSHKVYFK-RTBURBONSA-N 2 1 313.445 2.018 20 30 DEEDMP C#CCCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209267938 801163506 /nfs/dbraw/zinc/16/35/06/801163506.db2.gz YOHAKRLSHKVYFK-RTBURBONSA-N 2 1 313.445 2.018 20 30 DEEDMP C#CCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209267938 801163509 /nfs/dbraw/zinc/16/35/09/801163509.db2.gz YOHAKRLSHKVYFK-RTBURBONSA-N 2 1 313.445 2.018 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001230575828 801425251 /nfs/dbraw/zinc/42/52/51/801425251.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575828 801425254 /nfs/dbraw/zinc/42/52/54/801425254.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001230575828 801425258 /nfs/dbraw/zinc/42/52/58/801425258.db2.gz QVYYCJOBSRTXDM-KRWDZBQOSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214335602 801704252 /nfs/dbraw/zinc/70/42/52/801704252.db2.gz CVWVVAXZVPDPOK-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544633 802590618 /nfs/dbraw/zinc/59/06/18/802590618.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544633 802590623 /nfs/dbraw/zinc/59/06/23/802590623.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544633 802590630 /nfs/dbraw/zinc/59/06/30/802590630.db2.gz ZOSDKFWXYIBNOG-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657462 802601657 /nfs/dbraw/zinc/60/16/57/802601657.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657462 802601658 /nfs/dbraw/zinc/60/16/58/802601658.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657462 802601661 /nfs/dbraw/zinc/60/16/61/802601661.db2.gz XLYRDIRUWBFTQB-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818205 802618390 /nfs/dbraw/zinc/61/83/90/802618390.db2.gz KCPGFLCAQUWABI-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818205 802618394 /nfs/dbraw/zinc/61/83/94/802618394.db2.gz KCPGFLCAQUWABI-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818205 802618397 /nfs/dbraw/zinc/61/83/97/802618397.db2.gz KCPGFLCAQUWABI-HZPDHXFCSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224559034 802881860 /nfs/dbraw/zinc/88/18/60/802881860.db2.gz LUNSRHBXDGSWRA-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225426743 802964004 /nfs/dbraw/zinc/96/40/04/802964004.db2.gz GDHZYLPCKJPFLS-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227083288 803196746 /nfs/dbraw/zinc/19/67/46/803196746.db2.gz REMRGUPWVAPZRI-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001330668315 1149244759 /nfs/dbraw/zinc/24/47/59/1149244759.db2.gz UDJLVVOXPFUKPU-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001331016763 1149360363 /nfs/dbraw/zinc/36/03/63/1149360363.db2.gz SHNWVCVZXBSZBF-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001331016763 1149360369 /nfs/dbraw/zinc/36/03/69/1149360369.db2.gz SHNWVCVZXBSZBF-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001331016763 1149360373 /nfs/dbraw/zinc/36/03/73/1149360373.db2.gz SHNWVCVZXBSZBF-KRWDZBQOSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001331472598 1149473161 /nfs/dbraw/zinc/47/31/61/1149473161.db2.gz BGFZTUZJPOPZFL-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001331472598 1149473187 /nfs/dbraw/zinc/47/31/87/1149473187.db2.gz BGFZTUZJPOPZFL-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001368486006 1148463483 /nfs/dbraw/zinc/46/34/83/1148463483.db2.gz HNINJPYDSQVWBE-UHFFFAOYSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001351165811 1151480666 /nfs/dbraw/zinc/48/06/66/1151480666.db2.gz QJVIGZWQLWWEGT-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328868309 1148843457 /nfs/dbraw/zinc/84/34/57/1148843457.db2.gz CFHCPUIVFHHTBX-VMBOVVBDSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001500111554 1058498215 /nfs/dbraw/zinc/49/82/15/1058498215.db2.gz QRGZGRUTBNFULK-RDJZCZTQSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462546062 1058848766 /nfs/dbraw/zinc/84/87/66/1058848766.db2.gz KEMOVUGEBPPUCW-UHOSZYNNSA-N 2 1 300.446 2.261 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480076881 1151551680 /nfs/dbraw/zinc/55/16/80/1151551680.db2.gz GCSUFKAZBXUBAZ-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001506581662 1062157195 /nfs/dbraw/zinc/15/71/95/1062157195.db2.gz YDZFHULJQFEFJU-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001480140753 1062377284 /nfs/dbraw/zinc/37/72/84/1062377284.db2.gz GJKFJDVEPNCEFL-QAETUUGQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480300482 1062606424 /nfs/dbraw/zinc/60/64/24/1062606424.db2.gz NTNNXUVOCTXDSY-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507347221 1063134901 /nfs/dbraw/zinc/13/49/01/1063134901.db2.gz HEVMDAJAVHKICH-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001507349598 1063137936 /nfs/dbraw/zinc/13/79/36/1063137936.db2.gz WAGRKLBZFUVKFR-YJBOKZPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001480667406 1063161805 /nfs/dbraw/zinc/16/18/05/1063161805.db2.gz HDJGDSLNDVAUOC-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493241069 1063664048 /nfs/dbraw/zinc/66/40/48/1063664048.db2.gz QSSOSPRDCNWZCH-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493241069 1063664060 /nfs/dbraw/zinc/66/40/60/1063664060.db2.gz QSSOSPRDCNWZCH-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001494030501 1064091579 /nfs/dbraw/zinc/09/15/79/1064091579.db2.gz PMJHPZCRQOJDLD-KRWDZBQOSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001494136427 1064136035 /nfs/dbraw/zinc/13/60/35/1064136035.db2.gz DDAYKLLONRBFHB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001494136427 1064136043 /nfs/dbraw/zinc/13/60/43/1064136043.db2.gz DDAYKLLONRBFHB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001494136427 1064136050 /nfs/dbraw/zinc/13/60/50/1064136050.db2.gz DDAYKLLONRBFHB-FUHWJXTLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178455 1064159555 /nfs/dbraw/zinc/15/95/55/1064159555.db2.gz KDZDNEZSBABDHT-AEFFLSMTSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178455 1064159560 /nfs/dbraw/zinc/15/95/60/1064159560.db2.gz KDZDNEZSBABDHT-AEFFLSMTSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178457 1064159621 /nfs/dbraw/zinc/15/96/21/1064159621.db2.gz KDZDNEZSBABDHT-SJLPKXTDSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001494178457 1064159628 /nfs/dbraw/zinc/15/96/28/1064159628.db2.gz KDZDNEZSBABDHT-SJLPKXTDSA-N 2 1 315.461 2.256 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001494214551 1064177634 /nfs/dbraw/zinc/17/76/34/1064177634.db2.gz WZTNRFGKHYQHNH-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001494214551 1064177639 /nfs/dbraw/zinc/17/76/39/1064177639.db2.gz WZTNRFGKHYQHNH-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001494214551 1064177644 /nfs/dbraw/zinc/17/76/44/1064177644.db2.gz WZTNRFGKHYQHNH-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567419232 1064192085 /nfs/dbraw/zinc/19/20/85/1064192085.db2.gz KKOKSWDPAPYZLX-IRXDYDNUSA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567419232 1064192090 /nfs/dbraw/zinc/19/20/90/1064192090.db2.gz KKOKSWDPAPYZLX-IRXDYDNUSA-N 2 1 309.498 2.347 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567419232 1064192092 /nfs/dbraw/zinc/19/20/92/1064192092.db2.gz KKOKSWDPAPYZLX-IRXDYDNUSA-N 2 1 309.498 2.347 20 30 DEEDMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001567661051 1064325815 /nfs/dbraw/zinc/32/58/15/1064325815.db2.gz PKXPHQMCXVSUDU-ZWKOTPCHSA-N 2 1 315.461 2.494 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC[NH+](C)C)C1 ZINC001567689980 1064348267 /nfs/dbraw/zinc/34/82/67/1064348267.db2.gz ZVOKGBINEVOPJE-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001567752620 1064403611 /nfs/dbraw/zinc/40/36/11/1064403611.db2.gz BJZQKVSEGUXQIK-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976828 1064574793 /nfs/dbraw/zinc/57/47/93/1064574793.db2.gz KQGSLOPWSNDOJW-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001568044494 1064614360 /nfs/dbraw/zinc/61/43/60/1064614360.db2.gz YOFYWVZHJQRCJT-YJBOKZPZSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568044001 1064614796 /nfs/dbraw/zinc/61/47/96/1064614796.db2.gz ROLQOIHGVIEMPY-CRAIPNDOSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001495013606 1064641774 /nfs/dbraw/zinc/64/17/74/1064641774.db2.gz SJLITBAOFKITSR-HNNXBMFYSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001495013607 1064643718 /nfs/dbraw/zinc/64/37/18/1064643718.db2.gz SJLITBAOFKITSR-OAHLLOKOSA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346779 1064794008 /nfs/dbraw/zinc/79/40/08/1064794008.db2.gz NXQAVAQNXAUXCB-AEFFLSMTSA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001568346781 1064795026 /nfs/dbraw/zinc/79/50/26/1064795026.db2.gz NXQAVAQNXAUXCB-SJLPKXTDSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568401567 1064838260 /nfs/dbraw/zinc/83/82/60/1064838260.db2.gz VSMCUFAVTPDPAH-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001568401563 1064838894 /nfs/dbraw/zinc/83/88/94/1064838894.db2.gz VSMCUFAVTPDPAH-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001568437640 1064871844 /nfs/dbraw/zinc/87/18/44/1064871844.db2.gz CEJZSOCQRPMYJO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001568437640 1064871850 /nfs/dbraw/zinc/87/18/50/1064871850.db2.gz CEJZSOCQRPMYJO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001568437640 1064871862 /nfs/dbraw/zinc/87/18/62/1064871862.db2.gz CEJZSOCQRPMYJO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001568493244 1064909901 /nfs/dbraw/zinc/90/99/01/1064909901.db2.gz NFVXGDPUORNDSD-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001568493244 1064909908 /nfs/dbraw/zinc/90/99/08/1064909908.db2.gz NFVXGDPUORNDSD-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC/C=C/CC)CC1 ZINC001568506976 1064920461 /nfs/dbraw/zinc/92/04/61/1064920461.db2.gz YUGYQBFDQUENKS-BQYQJAHWSA-N 2 1 319.493 2.078 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568928061 1065196236 /nfs/dbraw/zinc/19/62/36/1065196236.db2.gz HAXHNEKEQKJBSF-LLYBFZRZSA-N 2 1 313.873 2.264 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001496316111 1065403831 /nfs/dbraw/zinc/40/38/31/1065403831.db2.gz YBWSQAIVNHCFLX-ROUUACIJSA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCCC[NH+]1CCC(C)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001569573587 1065601852 /nfs/dbraw/zinc/60/18/52/1065601852.db2.gz YLXJDMYDIBIWEW-UHFFFAOYSA-N 2 1 304.438 2.279 20 30 DEEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC(=C)C)CC1 ZINC001569595686 1065613740 /nfs/dbraw/zinc/61/37/40/1065613740.db2.gz XXRIFWWGOULRKO-UHFFFAOYSA-N 2 1 319.493 2.221 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001569819520 1065739688 /nfs/dbraw/zinc/73/96/88/1065739688.db2.gz ASCHKQREHGZZOM-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001496844962 1065751292 /nfs/dbraw/zinc/75/12/92/1065751292.db2.gz LAJRPNCCXGWKQD-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001496844962 1065751303 /nfs/dbraw/zinc/75/13/03/1065751303.db2.gz LAJRPNCCXGWKQD-KRWDZBQOSA-N 2 1 303.450 2.256 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914424 1065817859 /nfs/dbraw/zinc/81/78/59/1065817859.db2.gz FKOQMYBGFCMVEL-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001569914424 1065817871 /nfs/dbraw/zinc/81/78/71/1065817871.db2.gz FKOQMYBGFCMVEL-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300005 1148517195 /nfs/dbraw/zinc/51/71/95/1148517195.db2.gz RZSLQBXHDWPWDW-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001570179528 1065957898 /nfs/dbraw/zinc/95/78/98/1065957898.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001570179528 1065957915 /nfs/dbraw/zinc/95/79/15/1065957915.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001570179528 1065957925 /nfs/dbraw/zinc/95/79/25/1065957925.db2.gz PXHHQABKQFQPIB-MRXNPFEDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001570314002 1066013534 /nfs/dbraw/zinc/01/35/34/1066013534.db2.gz SXRJMBPMGMQJIA-GOSISDBHSA-N 2 1 315.461 2.391 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001570314002 1066013541 /nfs/dbraw/zinc/01/35/41/1066013541.db2.gz SXRJMBPMGMQJIA-GOSISDBHSA-N 2 1 315.461 2.391 20 30 DEEDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576639290 1066652621 /nfs/dbraw/zinc/65/26/21/1066652621.db2.gz ZXXJUAMFKHUYSO-CYBMUJFWSA-N 2 1 314.389 2.430 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381366 1066668771 /nfs/dbraw/zinc/66/87/71/1066668771.db2.gz PEKHLCFKSNBVPE-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001498381366 1066668776 /nfs/dbraw/zinc/66/87/76/1066668776.db2.gz PEKHLCFKSNBVPE-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001498904545 1066949129 /nfs/dbraw/zinc/94/91/29/1066949129.db2.gz VJVLJVZDXKCXID-GJZGRUSLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001483562236 1078599389 /nfs/dbraw/zinc/59/93/89/1078599389.db2.gz BWTUOYDYGYNLAZ-YESZJQIVSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001570534991 1067992000 /nfs/dbraw/zinc/99/20/00/1067992000.db2.gz UQDJFDRGOSGCRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001570534991 1067992004 /nfs/dbraw/zinc/99/20/04/1067992004.db2.gz UQDJFDRGOSGCRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001570534991 1067992016 /nfs/dbraw/zinc/99/20/16/1067992016.db2.gz UQDJFDRGOSGCRC-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)C)C1 ZINC001570564092 1068008567 /nfs/dbraw/zinc/00/85/67/1068008567.db2.gz MEWGEOOFTWTTCI-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)C)C1 ZINC001570564092 1068008581 /nfs/dbraw/zinc/00/85/81/1068008581.db2.gz MEWGEOOFTWTTCI-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267182128 1078645908 /nfs/dbraw/zinc/64/59/08/1078645908.db2.gz VEOPRXAHCSALPA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267182128 1078645913 /nfs/dbraw/zinc/64/59/13/1078645913.db2.gz VEOPRXAHCSALPA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267182128 1078645918 /nfs/dbraw/zinc/64/59/18/1078645918.db2.gz VEOPRXAHCSALPA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001570754066 1068108722 /nfs/dbraw/zinc/10/87/22/1068108722.db2.gz WFLSTSRRERMQQO-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001570754066 1068108728 /nfs/dbraw/zinc/10/87/28/1068108728.db2.gz WFLSTSRRERMQQO-WBVHZDCISA-N 2 1 303.450 2.302 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001571049215 1068176818 /nfs/dbraw/zinc/17/68/18/1068176818.db2.gz RTPNOWWWNANEGK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001571049215 1068176821 /nfs/dbraw/zinc/17/68/21/1068176821.db2.gz RTPNOWWWNANEGK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001571049215 1068176824 /nfs/dbraw/zinc/17/68/24/1068176824.db2.gz RTPNOWWWNANEGK-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001279237034 1078775494 /nfs/dbraw/zinc/77/54/94/1078775494.db2.gz OKDWFQUVHNSJFY-YVSFHVDLSA-N 2 1 307.482 2.118 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001267341405 1078779204 /nfs/dbraw/zinc/77/92/04/1078779204.db2.gz WWWAFUFPVNLPPU-UHFFFAOYSA-N 2 1 315.461 2.212 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001574856790 1069279201 /nfs/dbraw/zinc/27/92/01/1069279201.db2.gz GUOJTULRSVBWRI-ZDUSSCGKSA-N 2 1 308.813 2.480 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001542326523 1072456426 /nfs/dbraw/zinc/45/64/26/1072456426.db2.gz GMTFLERZEFVUPH-WBVHZDCISA-N 2 1 301.434 2.056 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001272477699 1078912266 /nfs/dbraw/zinc/91/22/66/1078912266.db2.gz AFHYQBHQWDPEKP-GOSISDBHSA-N 2 1 309.498 2.443 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267565743 1078999874 /nfs/dbraw/zinc/99/98/74/1078999874.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267565743 1078999878 /nfs/dbraw/zinc/99/98/78/1078999878.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267565743 1078999881 /nfs/dbraw/zinc/99/98/81/1078999881.db2.gz UAOZVFKHRAPXTR-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001483882444 1079170010 /nfs/dbraw/zinc/17/00/10/1079170010.db2.gz BERQQEQULZUYRP-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001483882444 1079170013 /nfs/dbraw/zinc/17/00/13/1079170013.db2.gz BERQQEQULZUYRP-RDJZCZTQSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001483944092 1079200457 /nfs/dbraw/zinc/20/04/57/1079200457.db2.gz OIMIJPLTJCNKBB-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481112763 1079196697 /nfs/dbraw/zinc/19/66/97/1079196697.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481112763 1079196704 /nfs/dbraw/zinc/19/67/04/1079196704.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481112763 1079196707 /nfs/dbraw/zinc/19/67/07/1079196707.db2.gz RYUFLZXMNOSOPB-INIZCTEOSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001483952549 1079207981 /nfs/dbraw/zinc/20/79/81/1079207981.db2.gz XVIQPRSULCDMEN-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560488894 1075140334 /nfs/dbraw/zinc/14/03/34/1075140334.db2.gz CENRJJCUYLTGSA-KRWDZBQOSA-N 2 1 300.446 2.487 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c(cccc2OC)C1 ZINC001560488894 1075140336 /nfs/dbraw/zinc/14/03/36/1075140336.db2.gz CENRJJCUYLTGSA-KRWDZBQOSA-N 2 1 300.446 2.487 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001565852561 1075197408 /nfs/dbraw/zinc/19/74/08/1075197408.db2.gz PITNEZDHNCZPQJ-XWTMOSNGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001566012711 1075216646 /nfs/dbraw/zinc/21/66/46/1075216646.db2.gz PZTKEDUJONGOEQ-OKZBNKHCSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001566854934 1075363062 /nfs/dbraw/zinc/36/30/62/1075363062.db2.gz UAQPLBMYEGXMAR-TWMKSMIVSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001566987787 1075408949 /nfs/dbraw/zinc/40/89/49/1075408949.db2.gz LSMJEPCZIYTYEV-KLAILNCOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054443 1075424041 /nfs/dbraw/zinc/42/40/41/1075424041.db2.gz RLELFCMBXCORKT-RHSMWYFYSA-N 2 1 313.461 2.259 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001567264079 1075480281 /nfs/dbraw/zinc/48/02/81/1075480281.db2.gz BHNFXKIWHWXFCV-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267774686 1079484603 /nfs/dbraw/zinc/48/46/03/1079484603.db2.gz JOFINNZGJYOVKF-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267774686 1079484608 /nfs/dbraw/zinc/48/46/08/1079484608.db2.gz JOFINNZGJYOVKF-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C(C)C ZINC001272683055 1079610581 /nfs/dbraw/zinc/61/05/81/1079610581.db2.gz NYSUGBPSWKJCED-UHFFFAOYSA-N 2 1 303.450 2.261 20 30 DEEDMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001272683055 1079610586 /nfs/dbraw/zinc/61/05/86/1079610586.db2.gz NYSUGBPSWKJCED-UHFFFAOYSA-N 2 1 303.450 2.261 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001272683055 1079610588 /nfs/dbraw/zinc/61/05/88/1079610588.db2.gz NYSUGBPSWKJCED-UHFFFAOYSA-N 2 1 303.450 2.261 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267956876 1079636797 /nfs/dbraw/zinc/63/67/97/1079636797.db2.gz JOLVREGRWHLUSX-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001484771964 1079787329 /nfs/dbraw/zinc/78/73/29/1079787329.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771964 1079787336 /nfs/dbraw/zinc/78/73/36/1079787336.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771964 1079787342 /nfs/dbraw/zinc/78/73/42/1079787342.db2.gz JDFKJSUOKKWKDQ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484811208 1079804234 /nfs/dbraw/zinc/80/42/34/1079804234.db2.gz XQMQGGQHGXVOCX-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001484876133 1079832765 /nfs/dbraw/zinc/83/27/65/1079832765.db2.gz TUKWJJHJCXHMSE-UHFFFAOYSA-N 2 1 313.445 2.290 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481495667 1079955376 /nfs/dbraw/zinc/95/53/76/1079955376.db2.gz CGVNSTNZKOJYAN-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481495667 1079955379 /nfs/dbraw/zinc/95/53/79/1079955379.db2.gz CGVNSTNZKOJYAN-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481495667 1079955383 /nfs/dbraw/zinc/95/53/83/1079955383.db2.gz CGVNSTNZKOJYAN-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001485094984 1079977023 /nfs/dbraw/zinc/97/70/23/1079977023.db2.gz PJUICBREGKVWPU-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001268138444 1080106337 /nfs/dbraw/zinc/10/63/37/1080106337.db2.gz QTSQNNVJJKDLJQ-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304545 1080141174 /nfs/dbraw/zinc/14/11/74/1080141174.db2.gz XOYMRNGIQQWPSS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485304545 1080141177 /nfs/dbraw/zinc/14/11/77/1080141177.db2.gz XOYMRNGIQQWPSS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001485304545 1080141180 /nfs/dbraw/zinc/14/11/80/1080141180.db2.gz XOYMRNGIQQWPSS-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568570 1080300937 /nfs/dbraw/zinc/30/09/37/1080300937.db2.gz CUIHIPOLHQFUQW-GJZGRUSLSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C(C)(C)C1 ZINC001485568570 1080300942 /nfs/dbraw/zinc/30/09/42/1080300942.db2.gz CUIHIPOLHQFUQW-GJZGRUSLSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661034387 1080431470 /nfs/dbraw/zinc/43/14/70/1080431470.db2.gz DXDBCDLQVHCHFK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661034387 1080431474 /nfs/dbraw/zinc/43/14/74/1080431474.db2.gz DXDBCDLQVHCHFK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034387 1080431478 /nfs/dbraw/zinc/43/14/78/1080431478.db2.gz DXDBCDLQVHCHFK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034387 1080431482 /nfs/dbraw/zinc/43/14/82/1080431482.db2.gz DXDBCDLQVHCHFK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001662315296 1080596145 /nfs/dbraw/zinc/59/61/45/1080596145.db2.gz YLKSNUDTUKVAGN-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001663663972 1080800241 /nfs/dbraw/zinc/80/02/41/1080800241.db2.gz JJCYGYPVRSUKJH-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001663663972 1080800245 /nfs/dbraw/zinc/80/02/45/1080800245.db2.gz JJCYGYPVRSUKJH-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001663663972 1080800249 /nfs/dbraw/zinc/80/02/49/1080800249.db2.gz JJCYGYPVRSUKJH-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001664876284 1080975497 /nfs/dbraw/zinc/97/54/97/1080975497.db2.gz QDADEBSQUTUHJQ-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001664876284 1080975501 /nfs/dbraw/zinc/97/55/01/1080975501.db2.gz QDADEBSQUTUHJQ-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001664876284 1080975506 /nfs/dbraw/zinc/97/55/06/1080975506.db2.gz QDADEBSQUTUHJQ-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001665601523 1081044268 /nfs/dbraw/zinc/04/42/68/1081044268.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001665601523 1081044275 /nfs/dbraw/zinc/04/42/75/1081044275.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001665601523 1081044280 /nfs/dbraw/zinc/04/42/80/1081044280.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001665601523 1081044287 /nfs/dbraw/zinc/04/42/87/1081044287.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001665601523 1081044295 /nfs/dbraw/zinc/04/42/95/1081044295.db2.gz JREDBIANUYGGTA-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001665871361 1081091531 /nfs/dbraw/zinc/09/15/31/1081091531.db2.gz HHCDZCKMTZUHSN-MSOLQXFVSA-N 2 1 315.461 2.187 20 30 DEEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001665928114 1081098542 /nfs/dbraw/zinc/09/85/42/1081098542.db2.gz CXDPBSHGCLJQMS-DLBZAZTESA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001666129667 1081126675 /nfs/dbraw/zinc/12/66/75/1081126675.db2.gz HKMNRWLKELZHDM-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001666389142 1081150099 /nfs/dbraw/zinc/15/00/99/1081150099.db2.gz CRYRAIVEKHMQSP-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001666767435 1081180164 /nfs/dbraw/zinc/18/01/64/1081180164.db2.gz GDUOFYRBEUISAT-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001269254641 1081185083 /nfs/dbraw/zinc/18/50/83/1081185083.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001269254641 1081185085 /nfs/dbraw/zinc/18/50/85/1081185085.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001269254641 1081185090 /nfs/dbraw/zinc/18/50/90/1081185090.db2.gz CWXKENOJPACXRX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298573 1081239635 /nfs/dbraw/zinc/23/96/35/1081239635.db2.gz FBMHVJRANIMJBM-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001667565517 1081264006 /nfs/dbraw/zinc/26/40/06/1081264006.db2.gz FTBKJTJSBIHHMU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667565517 1081264011 /nfs/dbraw/zinc/26/40/11/1081264011.db2.gz FTBKJTJSBIHHMU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667565517 1081264014 /nfs/dbraw/zinc/26/40/14/1081264014.db2.gz FTBKJTJSBIHHMU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950089894 1081268581 /nfs/dbraw/zinc/26/85/81/1081268581.db2.gz PWSXRXPRWNZMHG-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001667695089 1081275062 /nfs/dbraw/zinc/27/50/62/1081275062.db2.gz UUPGJQMJZVRROJ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001270065649 1081442212 /nfs/dbraw/zinc/44/22/12/1081442212.db2.gz VHQFFJYFRFWKSV-UHFFFAOYSA-N 2 1 301.434 2.063 20 30 DEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001671660316 1081530333 /nfs/dbraw/zinc/53/03/33/1081530333.db2.gz RNIHWAKSZURDBN-IBGZPJMESA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001671660316 1081530335 /nfs/dbraw/zinc/53/03/35/1081530335.db2.gz RNIHWAKSZURDBN-IBGZPJMESA-N 2 1 319.493 2.245 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001672430242 1081597007 /nfs/dbraw/zinc/59/70/07/1081597007.db2.gz QUUXMOUBNTZWRP-FGTMMUONSA-N 2 1 321.509 2.441 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001672430242 1081597011 /nfs/dbraw/zinc/59/70/11/1081597011.db2.gz QUUXMOUBNTZWRP-FGTMMUONSA-N 2 1 321.509 2.441 20 30 DEEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001674348661 1081863333 /nfs/dbraw/zinc/86/33/33/1081863333.db2.gz ZBBMFQQTIYDLSF-GOSISDBHSA-N 2 1 321.509 2.156 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271016787 1081876378 /nfs/dbraw/zinc/87/63/78/1081876378.db2.gz JFHLMFCZRDHTMH-IBGZPJMESA-N 2 1 319.493 2.104 20 30 DEEDMP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001674573641 1081890123 /nfs/dbraw/zinc/89/01/23/1081890123.db2.gz FUCMTNMGHSHMSD-SOEBMCCKSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361748 1081999843 /nfs/dbraw/zinc/99/98/43/1081999843.db2.gz RIMAYNWZMWMTPF-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361748 1081999850 /nfs/dbraw/zinc/99/98/50/1081999850.db2.gz RIMAYNWZMWMTPF-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266466723 1082057468 /nfs/dbraw/zinc/05/74/68/1082057468.db2.gz UMWDNFZQJIYLQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266466723 1082057475 /nfs/dbraw/zinc/05/74/75/1082057475.db2.gz UMWDNFZQJIYLQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266466723 1082057482 /nfs/dbraw/zinc/05/74/82/1082057482.db2.gz UMWDNFZQJIYLQF-MSOLQXFVSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001271749915 1082145285 /nfs/dbraw/zinc/14/52/85/1082145285.db2.gz LAJKYWBLIPAPTO-BCDXTJNWSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001670595684 1082190857 /nfs/dbraw/zinc/19/08/57/1082190857.db2.gz OMRZSDNQDTWETJ-IAGOWNOFSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC001271923387 1082194806 /nfs/dbraw/zinc/19/48/06/1082194806.db2.gz UTRKMHUHTGCBAS-MSOLQXFVSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564602 1082201665 /nfs/dbraw/zinc/20/16/65/1082201665.db2.gz SXMIJNXNUBGUAR-DOTOQJQBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001272053793 1082340801 /nfs/dbraw/zinc/34/08/01/1082340801.db2.gz OTWCVMSSHMTVAP-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053793 1082340807 /nfs/dbraw/zinc/34/08/07/1082340807.db2.gz OTWCVMSSHMTVAP-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001272053793 1082340814 /nfs/dbraw/zinc/34/08/14/1082340814.db2.gz OTWCVMSSHMTVAP-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001505818289 1082488263 /nfs/dbraw/zinc/48/82/63/1082488263.db2.gz RHYAOEDGWUNLNG-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550546 1083474260 /nfs/dbraw/zinc/47/42/60/1083474260.db2.gz ZWTXNFJKCORNKM-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550546 1083474265 /nfs/dbraw/zinc/47/42/65/1083474265.db2.gz ZWTXNFJKCORNKM-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107550546 1083474271 /nfs/dbraw/zinc/47/42/71/1083474271.db2.gz ZWTXNFJKCORNKM-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001490902001 1083875280 /nfs/dbraw/zinc/87/52/80/1083875280.db2.gz BFFVDKDLCZLRPS-LUKYLMHMSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277280153 1083891666 /nfs/dbraw/zinc/89/16/66/1083891666.db2.gz NNEIRKFWGPRXQN-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001277344599 1083918555 /nfs/dbraw/zinc/91/85/55/1083918555.db2.gz ATSXHNOAGACSBN-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001277344599 1083918563 /nfs/dbraw/zinc/91/85/63/1083918563.db2.gz ATSXHNOAGACSBN-SJORKVTESA-N 2 1 316.449 2.223 20 30 DEEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277398166 1083947840 /nfs/dbraw/zinc/94/78/40/1083947840.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001277398166 1083947848 /nfs/dbraw/zinc/94/78/48/1083947848.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001277398166 1083947860 /nfs/dbraw/zinc/94/78/60/1083947860.db2.gz DUAKWVBVNLFUBK-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001272763958 1083971313 /nfs/dbraw/zinc/97/13/13/1083971313.db2.gz ZPOACRXGVAFYHW-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001670940802 1084158939 /nfs/dbraw/zinc/15/89/39/1084158939.db2.gz WTOYOQPJVJTEOL-CSNJMZFVSA-N 2 1 319.493 2.406 20 30 DEEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001272925695 1084620970 /nfs/dbraw/zinc/62/09/70/1084620970.db2.gz ACZOGPLQCKDNQF-INIZCTEOSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001486159346 1085099516 /nfs/dbraw/zinc/09/95/16/1085099516.db2.gz GEEKABIMYMGHJR-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486181950 1085109503 /nfs/dbraw/zinc/10/95/03/1085109503.db2.gz WBEZPJAPZYUICM-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001494137705 1085163035 /nfs/dbraw/zinc/16/30/35/1085163035.db2.gz NRSLERGPIUGJFD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494137705 1085163040 /nfs/dbraw/zinc/16/30/40/1085163040.db2.gz NRSLERGPIUGJFD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001494137705 1085163046 /nfs/dbraw/zinc/16/30/46/1085163046.db2.gz NRSLERGPIUGJFD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001486370105 1085240119 /nfs/dbraw/zinc/24/01/19/1085240119.db2.gz QNWXANHFWVSKKL-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001486370105 1085240131 /nfs/dbraw/zinc/24/01/31/1085240131.db2.gz QNWXANHFWVSKKL-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001486370105 1085240141 /nfs/dbraw/zinc/24/01/41/1085240141.db2.gz QNWXANHFWVSKKL-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181307 1085626235 /nfs/dbraw/zinc/62/62/35/1085626235.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181307 1085626243 /nfs/dbraw/zinc/62/62/43/1085626243.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181307 1085626247 /nfs/dbraw/zinc/62/62/47/1085626247.db2.gz JDAPGCMIWHGABT-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216958 1085640564 /nfs/dbraw/zinc/64/05/64/1085640564.db2.gz BPMNSNIXNKUAFZ-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350486 1085700309 /nfs/dbraw/zinc/70/03/09/1085700309.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961350486 1085700315 /nfs/dbraw/zinc/70/03/15/1085700315.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961350486 1085700325 /nfs/dbraw/zinc/70/03/25/1085700325.db2.gz XJNAFPAPLVDGFV-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000963612953 1086512820 /nfs/dbraw/zinc/51/28/20/1086512820.db2.gz GAONDIXPKRAPDB-DAWZGUTISA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079849213 1088471187 /nfs/dbraw/zinc/47/11/87/1088471187.db2.gz QISVJFZGDLHKCB-OIISXLGYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079849213 1088471195 /nfs/dbraw/zinc/47/11/95/1088471195.db2.gz QISVJFZGDLHKCB-OIISXLGYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079849213 1088471203 /nfs/dbraw/zinc/47/12/03/1088471203.db2.gz QISVJFZGDLHKCB-OIISXLGYSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001080255290 1088743061 /nfs/dbraw/zinc/74/30/61/1088743061.db2.gz UWKOTSOQOPBOTB-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536630 1088784341 /nfs/dbraw/zinc/78/43/41/1088784341.db2.gz AIPVHGOJKGCJOD-SJORKVTESA-N 2 1 319.493 2.456 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902968 1089093774 /nfs/dbraw/zinc/09/37/74/1089093774.db2.gz VVTXBKYAGCUDJZ-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902968 1089093794 /nfs/dbraw/zinc/09/37/94/1089093794.db2.gz VVTXBKYAGCUDJZ-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902968 1089093812 /nfs/dbraw/zinc/09/38/12/1089093812.db2.gz VVTXBKYAGCUDJZ-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694853 1090397460 /nfs/dbraw/zinc/39/74/60/1090397460.db2.gz WFHQXXMMJUTVPM-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694853 1090397464 /nfs/dbraw/zinc/39/74/64/1090397464.db2.gz WFHQXXMMJUTVPM-HZPDHXFCSA-N 2 1 316.449 2.115 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001120041243 1090630100 /nfs/dbraw/zinc/63/01/00/1090630100.db2.gz INHSSYFJISVEBH-UHFFFAOYSA-N 2 1 307.482 2.150 20 30 DEEDMP C=C(Cl)CN(C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001438922456 1091434512 /nfs/dbraw/zinc/43/45/12/1091434512.db2.gz MZKMBVFTWQATMV-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCCCC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001274973894 1091497708 /nfs/dbraw/zinc/49/77/08/1091497708.db2.gz DVTAZAHQDJBNOE-KRWDZBQOSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273577778 1091932473 /nfs/dbraw/zinc/93/24/73/1091932473.db2.gz DTVDQURBNZGCAO-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001273598696 1091943872 /nfs/dbraw/zinc/94/38/72/1091943872.db2.gz GQAPWOUPYHGSTD-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711733 1092008394 /nfs/dbraw/zinc/00/83/94/1092008394.db2.gz HDLPOIICRUWITN-IBGZPJMESA-N 2 1 313.445 2.114 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858734 1092240686 /nfs/dbraw/zinc/24/06/86/1092240686.db2.gz OQCBAMLTBXLNPN-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273839634 1092302801 /nfs/dbraw/zinc/30/28/01/1092302801.db2.gz BANREALOLUSYCO-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001488947171 1092843812 /nfs/dbraw/zinc/84/38/12/1092843812.db2.gz KXSDEDSLSQYWOW-OKZBNKHCSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001489129196 1092936372 /nfs/dbraw/zinc/93/63/72/1092936372.db2.gz XERVQRBQGSKZLO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001489327403 1093021396 /nfs/dbraw/zinc/02/13/96/1093021396.db2.gz ZKYNNKOIRVBILG-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490774307 1093521710 /nfs/dbraw/zinc/52/17/10/1093521710.db2.gz IATAQXIGPLRLIT-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278253609 1138859888 /nfs/dbraw/zinc/85/98/88/1138859888.db2.gz XFBZFUJFOPBNCM-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001491604049 1140243770 /nfs/dbraw/zinc/24/37/70/1140243770.db2.gz XUEFPGWVRHALAW-KBPBESRZSA-N 2 1 301.862 2.096 20 30 DEEDMP C=CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001318720319 1140394244 /nfs/dbraw/zinc/39/42/44/1140394244.db2.gz ROGOTMVFQURKGG-KRWDZBQOSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319080548 1140500918 /nfs/dbraw/zinc/50/09/18/1140500918.db2.gz AVDVZVFLMOCSQK-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278395774 1140521383 /nfs/dbraw/zinc/52/13/83/1140521383.db2.gz KSPMTXUIAQPKMC-MAUKXSAKSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278395774 1140521394 /nfs/dbraw/zinc/52/13/94/1140521394.db2.gz KSPMTXUIAQPKMC-MAUKXSAKSA-N 2 1 316.449 2.001 20 30 DEEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001319890674 1140800514 /nfs/dbraw/zinc/80/05/14/1140800514.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001319890674 1140800515 /nfs/dbraw/zinc/80/05/15/1140800515.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001319890674 1140800516 /nfs/dbraw/zinc/80/05/16/1140800516.db2.gz PLYQTIIXQVZVMI-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278427804 1140854900 /nfs/dbraw/zinc/85/49/00/1140854900.db2.gz YHJDWSMVKYXZPX-QGZVFWFLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001278427804 1140854903 /nfs/dbraw/zinc/85/49/03/1140854903.db2.gz YHJDWSMVKYXZPX-QGZVFWFLSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001323696720 1141877613 /nfs/dbraw/zinc/87/76/13/1141877613.db2.gz UKANIQPGFNRUNE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001323696720 1141877615 /nfs/dbraw/zinc/87/76/15/1141877615.db2.gz UKANIQPGFNRUNE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001323696720 1141877616 /nfs/dbraw/zinc/87/76/16/1141877616.db2.gz UKANIQPGFNRUNE-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341805038 1143713865 /nfs/dbraw/zinc/71/38/65/1143713865.db2.gz HPGZFIQBQWUJSE-QZTJIDSGSA-N 2 1 315.461 2.403 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001264127447 1144477389 /nfs/dbraw/zinc/47/73/89/1144477389.db2.gz FTURWJGQFNCRGN-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001265087260 1144640709 /nfs/dbraw/zinc/64/07/09/1144640709.db2.gz XHBOSQBWXLZHBB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265453961 1144704972 /nfs/dbraw/zinc/70/49/72/1144704972.db2.gz BHSFELSPUKOUDG-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116930 1144807271 /nfs/dbraw/zinc/80/72/71/1144807271.db2.gz OXABMKFHFMSOBZ-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266222900 1144816076 /nfs/dbraw/zinc/81/60/76/1144816076.db2.gz GVHYIQSHZLYLRO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266222900 1144816077 /nfs/dbraw/zinc/81/60/77/1144816077.db2.gz GVHYIQSHZLYLRO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266222900 1144816079 /nfs/dbraw/zinc/81/60/79/1144816079.db2.gz GVHYIQSHZLYLRO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001279402705 1144821932 /nfs/dbraw/zinc/82/19/32/1144821932.db2.gz DMBIDAACLYRJHN-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279402705 1144821933 /nfs/dbraw/zinc/82/19/33/1144821933.db2.gz DMBIDAACLYRJHN-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001279402705 1144821934 /nfs/dbraw/zinc/82/19/34/1144821934.db2.gz DMBIDAACLYRJHN-YESZJQIVSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001279587486 1144825178 /nfs/dbraw/zinc/82/51/78/1144825178.db2.gz MWPFWCQCCZUQOQ-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001279587486 1144825179 /nfs/dbraw/zinc/82/51/79/1144825179.db2.gz MWPFWCQCCZUQOQ-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001279587486 1144825180 /nfs/dbraw/zinc/82/51/80/1144825180.db2.gz MWPFWCQCCZUQOQ-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001280350714 1144836091 /nfs/dbraw/zinc/83/60/91/1144836091.db2.gz MVMADWXTOVBFAP-HNNXBMFYSA-N 2 1 312.417 2.345 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001280499385 1144842894 /nfs/dbraw/zinc/84/28/94/1144842894.db2.gz CVTWOXNHPNEOBH-KRWDZBQOSA-N 2 1 317.477 2.045 20 30 DEEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001282968533 1145219559 /nfs/dbraw/zinc/21/95/59/1145219559.db2.gz URQIXOPITNZZAK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282968533 1145219565 /nfs/dbraw/zinc/21/95/65/1145219565.db2.gz URQIXOPITNZZAK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282968533 1145219572 /nfs/dbraw/zinc/21/95/72/1145219572.db2.gz URQIXOPITNZZAK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001283462784 1145446253 /nfs/dbraw/zinc/44/62/53/1145446253.db2.gz JFYXASHWDXJVMS-QZTJIDSGSA-N 2 1 321.509 2.393 20 30 DEEDMP CCCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001284818102 1145924524 /nfs/dbraw/zinc/92/45/24/1145924524.db2.gz COLPELHZFVLDJV-GTPINHCMSA-N 2 1 309.498 2.488 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001492165541 1147108474 /nfs/dbraw/zinc/10/84/74/1147108474.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492165541 1147108477 /nfs/dbraw/zinc/10/84/77/1147108477.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001492165541 1147108478 /nfs/dbraw/zinc/10/84/78/1147108478.db2.gz XAOGUOIOZSIFQW-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001317203862 1147273523 /nfs/dbraw/zinc/27/35/23/1147273523.db2.gz APIQINQMPZNLOM-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001308421893 1147471414 /nfs/dbraw/zinc/47/14/14/1147471414.db2.gz DFIXGWGJDYMPTK-SJORKVTESA-N 2 1 308.466 2.433 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC001308421893 1147471429 /nfs/dbraw/zinc/47/14/29/1147471429.db2.gz DFIXGWGJDYMPTK-SJORKVTESA-N 2 1 308.466 2.433 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001316925796 1147632858 /nfs/dbraw/zinc/63/28/58/1147632858.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001316925796 1147632860 /nfs/dbraw/zinc/63/28/60/1147632860.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001316925796 1147632862 /nfs/dbraw/zinc/63/28/62/1147632862.db2.gz XXCJVWJCMZNMOJ-SFHVURJKSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316950508 1147638147 /nfs/dbraw/zinc/63/81/47/1147638147.db2.gz PWCMBXNERVUWNE-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316950508 1147638150 /nfs/dbraw/zinc/63/81/50/1147638150.db2.gz PWCMBXNERVUWNE-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001316995266 1147646342 /nfs/dbraw/zinc/64/63/42/1147646342.db2.gz OOANATNAGKNFRS-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001317149580 1147666953 /nfs/dbraw/zinc/66/69/53/1147666953.db2.gz JQDIAAUPPJMXSY-OAHLLOKOSA-N 2 1 304.438 2.137 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317407842 1147702262 /nfs/dbraw/zinc/70/22/62/1147702262.db2.gz ZGPJJMQGWCTIFM-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317721018 1147747134 /nfs/dbraw/zinc/74/71/34/1147747134.db2.gz QTGDFYUUHUWOQC-ZWKOTPCHSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318300805 1147808567 /nfs/dbraw/zinc/80/85/67/1147808567.db2.gz AXHNYOQLMYSIRF-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001326271965 1148067443 /nfs/dbraw/zinc/06/74/43/1148067443.db2.gz GEPNZTZEUSUQNT-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001326480883 1148109805 /nfs/dbraw/zinc/10/98/05/1148109805.db2.gz OGCWAQRXMUYPTO-WMLDXEAASA-N 2 1 301.434 2.234 20 30 DEEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001326491296 1148113219 /nfs/dbraw/zinc/11/32/19/1148113219.db2.gz YUXBNXHFZNGFCQ-OAHLLOKOSA-N 2 1 324.428 2.182 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001368098289 1148219142 /nfs/dbraw/zinc/21/91/42/1148219142.db2.gz JLWMBIIYWZPOPG-GJZGRUSLSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001368131359 1148261081 /nfs/dbraw/zinc/26/10/81/1148261081.db2.gz HREYQCKEOIYMPJ-OAHLLOKOSA-N 2 1 324.856 2.209 20 30 DEEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266985712 530056810 /nfs/dbraw/zinc/05/68/10/530056810.db2.gz QJLLFVITSICZAP-CYBMUJFWSA-N 2 1 314.355 2.204 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000660599505 540310987 /nfs/dbraw/zinc/31/09/87/540310987.db2.gz KDTZTKJXLFUECW-INIZCTEOSA-N 2 1 322.497 2.199 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000598597678 359256628 /nfs/dbraw/zinc/25/66/28/359256628.db2.gz SURCOLRBPSJTRF-XIRDDKMYSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000598597678 359256630 /nfs/dbraw/zinc/25/66/30/359256630.db2.gz SURCOLRBPSJTRF-XIRDDKMYSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000598597678 359256632 /nfs/dbraw/zinc/25/66/32/359256632.db2.gz SURCOLRBPSJTRF-XIRDDKMYSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(CC#N)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968204 360213153 /nfs/dbraw/zinc/21/31/53/360213153.db2.gz YLBLHDZOWIQUJR-GOSISDBHSA-N 2 1 301.434 2.153 20 30 DEEDMP CC(C)(CC#N)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968204 360213154 /nfs/dbraw/zinc/21/31/54/360213154.db2.gz YLBLHDZOWIQUJR-GOSISDBHSA-N 2 1 301.434 2.153 20 30 DEEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110660 360704425 /nfs/dbraw/zinc/70/44/25/360704425.db2.gz ONOKMKWNGNZATF-GOSISDBHSA-N 2 1 322.497 2.239 20 30 DEEDMP C#CC[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708367 193095795 /nfs/dbraw/zinc/09/57/95/193095795.db2.gz NIFICWYRKKLVEX-UHFFFAOYSA-N 2 1 301.434 2.236 20 30 DEEDMP C#CC[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708367 193095797 /nfs/dbraw/zinc/09/57/97/193095797.db2.gz NIFICWYRKKLVEX-UHFFFAOYSA-N 2 1 301.434 2.236 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000106271732 194193556 /nfs/dbraw/zinc/19/35/56/194193556.db2.gz YLRIQUDSEBNEHO-HNNXBMFYSA-N 2 1 310.486 2.056 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099027660 782000739 /nfs/dbraw/zinc/00/07/39/782000739.db2.gz PBHPQACSDYSWGU-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099027660 782000748 /nfs/dbraw/zinc/00/07/48/782000748.db2.gz PBHPQACSDYSWGU-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099027660 782000756 /nfs/dbraw/zinc/00/07/56/782000756.db2.gz PBHPQACSDYSWGU-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000180537742 402619777 /nfs/dbraw/zinc/61/97/77/402619777.db2.gz BBNXAXRVGOYEHM-HNNXBMFYSA-N 2 1 317.433 2.350 20 30 DEEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1cccc(OC)c1 ZINC000273131855 402974838 /nfs/dbraw/zinc/97/48/38/402974838.db2.gz AQPPSCPOUABWMN-KRWDZBQOSA-N 2 1 318.465 2.487 20 30 DEEDMP C=CCOc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000267454565 403039227 /nfs/dbraw/zinc/03/92/27/403039227.db2.gz SNEJEYZAVSGPOY-INIZCTEOSA-N 2 1 316.449 2.140 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000281863142 403099324 /nfs/dbraw/zinc/09/93/24/403099324.db2.gz VODYAGGUOPMOGG-UHFFFAOYSA-N 2 1 317.481 2.002 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286024520 403433142 /nfs/dbraw/zinc/43/31/42/403433142.db2.gz IVTUXSHTNLORNP-UHFFFAOYSA-N 2 1 315.461 2.321 20 30 DEEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1C#N ZINC000344156321 403946477 /nfs/dbraw/zinc/94/64/77/403946477.db2.gz KYCYJRVMYZCTLT-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1C#N ZINC000344156321 403946482 /nfs/dbraw/zinc/94/64/82/403946482.db2.gz KYCYJRVMYZCTLT-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328658167 404126675 /nfs/dbraw/zinc/12/66/75/404126675.db2.gz QOGOSYRCUOXYPN-VNQPRFMTSA-N 2 1 317.433 2.397 20 30 DEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328658167 404126686 /nfs/dbraw/zinc/12/66/86/404126686.db2.gz QOGOSYRCUOXYPN-VNQPRFMTSA-N 2 1 317.433 2.397 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC000297736722 404606121 /nfs/dbraw/zinc/60/61/21/404606121.db2.gz ZULGJTCYSMQCKO-INIZCTEOSA-N 2 1 304.438 2.006 20 30 DEEDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(C#N)c2)s1 ZINC000352855084 404666320 /nfs/dbraw/zinc/66/63/20/404666320.db2.gz WPJFEZJAFALOIX-UHFFFAOYSA-N 2 1 300.431 2.409 20 30 DEEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374172701 404700249 /nfs/dbraw/zinc/70/02/49/404700249.db2.gz GHWQJUNIRYBCPY-KRWDZBQOSA-N 2 1 319.493 2.383 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104565 404728220 /nfs/dbraw/zinc/72/82/20/404728220.db2.gz LVTMORQBYVSTAQ-HZPDHXFCSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104565 404728223 /nfs/dbraw/zinc/72/82/23/404728223.db2.gz LVTMORQBYVSTAQ-HZPDHXFCSA-N 2 1 302.418 2.301 20 30 DEEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000354100180 405043835 /nfs/dbraw/zinc/04/38/35/405043835.db2.gz KEMORMVHZBINSV-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000421337936 405465482 /nfs/dbraw/zinc/46/54/82/405465482.db2.gz BHXHUWYDQYSNPK-OAHLLOKOSA-N 2 1 317.408 2.288 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491785926 406718339 /nfs/dbraw/zinc/71/83/39/406718339.db2.gz OAHSKCUALQHXDP-MRXNPFEDSA-N 2 1 301.434 2.257 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491785926 406718347 /nfs/dbraw/zinc/71/83/47/406718347.db2.gz OAHSKCUALQHXDP-MRXNPFEDSA-N 2 1 301.434 2.257 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)C(C)C ZINC000654781608 425441639 /nfs/dbraw/zinc/44/16/39/425441639.db2.gz KIGHVHARQPKJNS-IAGOWNOFSA-N 2 1 307.482 2.141 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662682510 425711637 /nfs/dbraw/zinc/71/16/37/425711637.db2.gz INNLBQAWEXXBEA-AEFFLSMTSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694703 425714062 /nfs/dbraw/zinc/71/40/62/425714062.db2.gz BGYOJQGKEYPIAY-YJBOKZPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](CC(C)C)C1 ZINC000262471504 526371203 /nfs/dbraw/zinc/37/12/03/526371203.db2.gz OZPOKIXUWUCWHV-HOTGVXAUSA-N 2 1 306.498 2.414 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000264050871 526414233 /nfs/dbraw/zinc/41/42/33/526414233.db2.gz MHIRRZMTGYFSQN-HNNXBMFYSA-N 2 1 316.405 2.375 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000295024664 526829273 /nfs/dbraw/zinc/82/92/73/526829273.db2.gz NXZYAWOTRYWCSS-INIZCTEOSA-N 2 1 302.418 2.236 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000295024664 526829278 /nfs/dbraw/zinc/82/92/78/526829278.db2.gz NXZYAWOTRYWCSS-INIZCTEOSA-N 2 1 302.418 2.236 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000295017127 526829331 /nfs/dbraw/zinc/82/93/31/526829331.db2.gz NGIHWFGHYUTJDD-GOSISDBHSA-N 2 1 306.425 2.318 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000295017127 526829334 /nfs/dbraw/zinc/82/93/34/526829334.db2.gz NGIHWFGHYUTJDD-GOSISDBHSA-N 2 1 306.425 2.318 20 30 DEEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)c1cccc(OC)c1 ZINC000262472261 528269490 /nfs/dbraw/zinc/26/94/90/528269490.db2.gz BJAMXEULOFVQFC-XJKSGUPXSA-N 2 1 304.438 2.015 20 30 DEEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000267448658 529008884 /nfs/dbraw/zinc/00/88/84/529008884.db2.gz QTONVUZGVRKGQO-AWEZNQCLSA-N 2 1 320.437 2.305 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382648 529101468 /nfs/dbraw/zinc/10/14/68/529101468.db2.gz KRDJAZQUJYJIFD-AWEZNQCLSA-N 2 1 300.406 2.321 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001379380528 1152617094 /nfs/dbraw/zinc/61/70/94/1152617094.db2.gz FDSBHLIHOGDFDO-HIFRSBDPSA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001025253905 625309028 /nfs/dbraw/zinc/30/90/28/625309028.db2.gz YGEXKWPOHQQKBJ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253905 625309033 /nfs/dbraw/zinc/30/90/33/625309033.db2.gz YGEXKWPOHQQKBJ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253905 625309035 /nfs/dbraw/zinc/30/90/35/625309035.db2.gz YGEXKWPOHQQKBJ-DLBZAZTESA-N 2 1 316.449 2.223 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293756 625327474 /nfs/dbraw/zinc/32/74/74/625327474.db2.gz FVOPLHJBCZENEH-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632930 625365033 /nfs/dbraw/zinc/36/50/33/625365033.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632930 625365035 /nfs/dbraw/zinc/36/50/35/625365035.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632930 625365037 /nfs/dbraw/zinc/36/50/37/625365037.db2.gz RXEXBWROXDAGKX-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475145 625467347 /nfs/dbraw/zinc/46/73/47/625467347.db2.gz RRQJUCWUCYICBO-NVXWUHKLSA-N 2 1 324.428 2.188 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486835 625478401 /nfs/dbraw/zinc/47/84/01/625478401.db2.gz XOUMGKLIJKURNF-HZPDHXFCSA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001026503431 625485989 /nfs/dbraw/zinc/48/59/89/625485989.db2.gz VAJFLWLZSIPFAN-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001020675728 623057031 /nfs/dbraw/zinc/05/70/31/623057031.db2.gz COWGILAESLZFBS-RBSFLKMASA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970177587 623281631 /nfs/dbraw/zinc/28/16/31/623281631.db2.gz YZTRQNMLDQHCLW-CABCVRRESA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972333899 624932693 /nfs/dbraw/zinc/93/26/93/624932693.db2.gz ZDEZTTGGXBOGEL-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947546977 625199523 /nfs/dbraw/zinc/19/95/23/625199523.db2.gz MPAXNOKLLNCDLX-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000947546977 625199525 /nfs/dbraw/zinc/19/95/25/625199525.db2.gz MPAXNOKLLNCDLX-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023449938 625272907 /nfs/dbraw/zinc/27/29/07/625272907.db2.gz CAYBPIFCDFFYIJ-QGZVFWFLSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615270 625863677 /nfs/dbraw/zinc/86/36/77/625863677.db2.gz HBSWICWKWCJMDU-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000999346313 634567830 /nfs/dbraw/zinc/56/78/30/634567830.db2.gz DEKLDKMVXGDXTN-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996168686 633206604 /nfs/dbraw/zinc/20/66/04/633206604.db2.gz KQPRXIFCCCUVKC-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650264 633208007 /nfs/dbraw/zinc/20/80/07/633208007.db2.gz IIDVWMLYYLKXBX-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650264 633208011 /nfs/dbraw/zinc/20/80/11/633208011.db2.gz IIDVWMLYYLKXBX-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299936 633232000 /nfs/dbraw/zinc/23/20/00/633232000.db2.gz HCGYAGWJSVEPGT-KGLIPLIRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378068 633250446 /nfs/dbraw/zinc/25/04/46/633250446.db2.gz DFRKXCYJXMIYDW-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974766930 633293917 /nfs/dbraw/zinc/29/39/17/633293917.db2.gz LGNMPHPMVAPYCJ-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444016 633794398 /nfs/dbraw/zinc/79/43/98/633794398.db2.gz POQYJAQQKNCXSZ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444016 633794401 /nfs/dbraw/zinc/79/44/01/633794401.db2.gz POQYJAQQKNCXSZ-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001027448375 633801167 /nfs/dbraw/zinc/80/11/67/633801167.db2.gz IDPSMKFMTDLAPA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001027448375 633801173 /nfs/dbraw/zinc/80/11/73/633801173.db2.gz IDPSMKFMTDLAPA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001027448375 633801180 /nfs/dbraw/zinc/80/11/80/633801180.db2.gz IDPSMKFMTDLAPA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000997786550 633975624 /nfs/dbraw/zinc/97/56/24/633975624.db2.gz LOHZFNHCJYGFQB-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997951775 634074008 /nfs/dbraw/zinc/07/40/08/634074008.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997951775 634074016 /nfs/dbraw/zinc/07/40/16/634074016.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997951775 634074021 /nfs/dbraw/zinc/07/40/21/634074021.db2.gz ZSOCWYRHGONGPP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027886014 634873604 /nfs/dbraw/zinc/87/36/04/634873604.db2.gz MQKDOWWEURKZMB-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027886014 634873608 /nfs/dbraw/zinc/87/36/08/634873608.db2.gz MQKDOWWEURKZMB-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980187059 634884332 /nfs/dbraw/zinc/88/43/32/634884332.db2.gz QFPFZLQERNPOEY-BZSNNMDCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925538 634982066 /nfs/dbraw/zinc/98/20/66/634982066.db2.gz UBDKTIULJJVTDB-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477390 635016297 /nfs/dbraw/zinc/01/62/97/635016297.db2.gz GGSWSDJUNXJWQA-OAHLLOKOSA-N 2 1 313.873 2.148 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980477390 635016300 /nfs/dbraw/zinc/01/63/00/635016300.db2.gz GGSWSDJUNXJWQA-OAHLLOKOSA-N 2 1 313.873 2.148 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000680348 635274656 /nfs/dbraw/zinc/27/46/56/635274656.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000680348 635274659 /nfs/dbraw/zinc/27/46/59/635274659.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000680348 635274664 /nfs/dbraw/zinc/27/46/64/635274664.db2.gz UVNDXMNJWCEXAB-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001000757373 635298911 /nfs/dbraw/zinc/29/89/11/635298911.db2.gz NBAPIAGYXBMITG-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000757373 635298913 /nfs/dbraw/zinc/29/89/13/635298913.db2.gz NBAPIAGYXBMITG-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000757373 635298917 /nfs/dbraw/zinc/29/89/17/635298917.db2.gz NBAPIAGYXBMITG-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839364 635318846 /nfs/dbraw/zinc/31/88/46/635318846.db2.gz DUWVBXNUCZNXEO-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839364 635318851 /nfs/dbraw/zinc/31/88/51/635318851.db2.gz DUWVBXNUCZNXEO-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839364 635318859 /nfs/dbraw/zinc/31/88/59/635318859.db2.gz DUWVBXNUCZNXEO-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000981543993 635516612 /nfs/dbraw/zinc/51/66/12/635516612.db2.gz QMKXVXYGSWJHBZ-UHFFFAOYSA-N 2 1 305.466 2.115 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981557487 635526610 /nfs/dbraw/zinc/52/66/10/635526610.db2.gz XPBUNPIPQBGBNV-UHFFFAOYSA-N 2 1 312.417 2.448 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751718 635549139 /nfs/dbraw/zinc/54/91/39/635549139.db2.gz NNYUBKHGUSBENE-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922751 635577792 /nfs/dbraw/zinc/57/77/92/635577792.db2.gz AJQXGBVNHFKGKF-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981870867 635703735 /nfs/dbraw/zinc/70/37/35/635703735.db2.gz DTLOARYVOCYCQF-UHFFFAOYSA-N 2 1 317.477 2.115 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181321 635781638 /nfs/dbraw/zinc/78/16/38/635781638.db2.gz RDCJWTKIEFQEBZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181321 635781643 /nfs/dbraw/zinc/78/16/43/635781643.db2.gz RDCJWTKIEFQEBZ-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982063438 635850924 /nfs/dbraw/zinc/85/09/24/635850924.db2.gz PVTULASCBLCLLF-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982063438 635850926 /nfs/dbraw/zinc/85/09/26/635850926.db2.gz PVTULASCBLCLLF-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735419 636384214 /nfs/dbraw/zinc/38/42/14/636384214.db2.gz HOLHBWNZWPIGJK-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735419 636384220 /nfs/dbraw/zinc/38/42/20/636384220.db2.gz HOLHBWNZWPIGJK-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735419 636384226 /nfs/dbraw/zinc/38/42/26/636384226.db2.gz HOLHBWNZWPIGJK-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594445 636463095 /nfs/dbraw/zinc/46/30/95/636463095.db2.gz GZOHPFMJBIBSPH-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594445 636463099 /nfs/dbraw/zinc/46/30/99/636463099.db2.gz GZOHPFMJBIBSPH-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594445 636463104 /nfs/dbraw/zinc/46/31/04/636463104.db2.gz GZOHPFMJBIBSPH-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644451 636525336 /nfs/dbraw/zinc/52/53/36/636525336.db2.gz CTVCNKXYNYSPOV-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644451 636525338 /nfs/dbraw/zinc/52/53/38/636525338.db2.gz CTVCNKXYNYSPOV-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644451 636525343 /nfs/dbraw/zinc/52/53/43/636525343.db2.gz CTVCNKXYNYSPOV-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCSC(C)(C)C1 ZINC000261805516 636532418 /nfs/dbraw/zinc/53/24/18/636532418.db2.gz HGUHIGDTYYFDDA-AWEZNQCLSA-N 2 1 312.527 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662991 636552647 /nfs/dbraw/zinc/55/26/47/636552647.db2.gz VIZSUTFXFSMWPL-CALCHBBNSA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692054 636630815 /nfs/dbraw/zinc/63/08/15/636630815.db2.gz AKZYPXUXPLYLIJ-CYBMUJFWSA-N 2 1 318.808 2.139 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001028692054 636630819 /nfs/dbraw/zinc/63/08/19/636630819.db2.gz AKZYPXUXPLYLIJ-CYBMUJFWSA-N 2 1 318.808 2.139 20 30 DEEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478075 636746976 /nfs/dbraw/zinc/74/69/76/636746976.db2.gz VKOSIJMLSRWPSF-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870783 636802171 /nfs/dbraw/zinc/80/21/71/636802171.db2.gz VXFBAYVGJOHHFE-KRWDZBQOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985750507 639614447 /nfs/dbraw/zinc/61/44/47/639614447.db2.gz GNHFEWVKEURRND-RDJZCZTQSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192260 639797032 /nfs/dbraw/zinc/79/70/32/639797032.db2.gz DXTYUCYICQRTHW-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990694025 641607337 /nfs/dbraw/zinc/60/73/37/641607337.db2.gz ZOWYOPIPQNHAFZ-ZIFCJYIRSA-N 2 1 317.477 2.018 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792887 642095321 /nfs/dbraw/zinc/09/53/21/642095321.db2.gz WHIGLMIQJDRRAO-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792887 642095325 /nfs/dbraw/zinc/09/53/25/642095325.db2.gz WHIGLMIQJDRRAO-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792887 642095328 /nfs/dbraw/zinc/09/53/28/642095328.db2.gz WHIGLMIQJDRRAO-YFHUEUNASA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901075656 642561517 /nfs/dbraw/zinc/56/15/17/642561517.db2.gz MNVMGVCFEZIFRR-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903725865 643440833 /nfs/dbraw/zinc/44/08/33/643440833.db2.gz INAATVUHDVCHIO-RBUKOAKNSA-N 2 1 300.446 2.486 20 30 DEEDMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]1 ZINC000903988825 643541456 /nfs/dbraw/zinc/54/14/56/643541456.db2.gz XYNQMFUSZCMNDQ-HLLBOEOZSA-N 2 1 313.449 2.218 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905097661 643799577 /nfs/dbraw/zinc/79/95/77/643799577.db2.gz PCXQLAWZEQPHPO-RTBURBONSA-N 2 1 318.461 2.101 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000843813756 651034098 /nfs/dbraw/zinc/03/40/98/651034098.db2.gz FSOTUYBMKDEYLH-MAUKXSAKSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771520 646596689 /nfs/dbraw/zinc/59/66/89/646596689.db2.gz MZDZUPLOPZKPCG-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771520 646596693 /nfs/dbraw/zinc/59/66/93/646596693.db2.gz MZDZUPLOPZKPCG-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905947 646674967 /nfs/dbraw/zinc/67/49/67/646674967.db2.gz PZVNMNGEHPXLJX-SNVBAGLBSA-N 2 1 300.859 2.290 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829233 646696009 /nfs/dbraw/zinc/69/60/09/646696009.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829233 646696012 /nfs/dbraw/zinc/69/60/12/646696012.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829233 646696015 /nfs/dbraw/zinc/69/60/15/646696015.db2.gz HHTMKRYVUXVZNB-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120364 646861343 /nfs/dbraw/zinc/86/13/43/646861343.db2.gz BMMJVDYTQGTTRM-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120364 646861345 /nfs/dbraw/zinc/86/13/45/646861345.db2.gz BMMJVDYTQGTTRM-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992120364 646861350 /nfs/dbraw/zinc/86/13/50/646861350.db2.gz BMMJVDYTQGTTRM-BMFAXAFESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C(C)C)CCC[C@H]12 ZINC000992266036 646921038 /nfs/dbraw/zinc/92/10/38/646921038.db2.gz XUJLYAPZFDJSES-MAUKXSAKSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266036 646921039 /nfs/dbraw/zinc/92/10/39/646921039.db2.gz XUJLYAPZFDJSES-MAUKXSAKSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266036 646921040 /nfs/dbraw/zinc/92/10/40/646921040.db2.gz XUJLYAPZFDJSES-MAUKXSAKSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000913757046 647033321 /nfs/dbraw/zinc/03/33/21/647033321.db2.gz JOECCRQHRLEAEO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000815651861 647038504 /nfs/dbraw/zinc/03/85/04/647038504.db2.gz GSZRPENONGQWKZ-HOTGVXAUSA-N 2 1 323.481 2.177 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000815651861 647038506 /nfs/dbraw/zinc/03/85/06/647038506.db2.gz GSZRPENONGQWKZ-HOTGVXAUSA-N 2 1 323.481 2.177 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000818612248 647488354 /nfs/dbraw/zinc/48/83/54/647488354.db2.gz PVRVJYPEXHZYPT-SFHVURJKSA-N 2 1 315.461 2.141 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993546383 647693963 /nfs/dbraw/zinc/69/39/63/647693963.db2.gz KDVBWKBANBEOQI-RHSMWYFYSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842446 648954910 /nfs/dbraw/zinc/95/49/10/648954910.db2.gz GYKLSMAMNGWWRV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842446 648954913 /nfs/dbraw/zinc/95/49/13/648954913.db2.gz GYKLSMAMNGWWRV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842446 648954915 /nfs/dbraw/zinc/95/49/15/648954915.db2.gz GYKLSMAMNGWWRV-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894401 648968331 /nfs/dbraw/zinc/96/83/31/648968331.db2.gz ZMTNDULRTABQBI-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894401 648968333 /nfs/dbraw/zinc/96/83/33/648968333.db2.gz ZMTNDULRTABQBI-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000941076280 648994811 /nfs/dbraw/zinc/99/48/11/648994811.db2.gz VIOWICYQXCATQZ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076280 648994813 /nfs/dbraw/zinc/99/48/13/648994813.db2.gz VIOWICYQXCATQZ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000941076280 648994814 /nfs/dbraw/zinc/99/48/14/648994814.db2.gz VIOWICYQXCATQZ-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068510 648997869 /nfs/dbraw/zinc/99/78/69/648997869.db2.gz RHCAMLMVDOVCFB-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941068510 648997870 /nfs/dbraw/zinc/99/78/70/648997870.db2.gz RHCAMLMVDOVCFB-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP CCNC(NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)=[NH+]CC ZINC000849076503 651598282 /nfs/dbraw/zinc/59/82/82/651598282.db2.gz NFDCZHAGRYBVHA-UHFFFAOYSA-N 2 1 324.513 2.375 20 30 DEEDMP CCNC(NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)=[NH+]CC ZINC000849076503 651598285 /nfs/dbraw/zinc/59/82/85/651598285.db2.gz NFDCZHAGRYBVHA-UHFFFAOYSA-N 2 1 324.513 2.375 20 30 DEEDMP C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000855346615 651679684 /nfs/dbraw/zinc/67/96/84/651679684.db2.gz GVISXTUTKXDJCN-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000855346615 651679688 /nfs/dbraw/zinc/67/96/88/651679688.db2.gz GVISXTUTKXDJCN-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761764 685260044 /nfs/dbraw/zinc/26/00/44/685260044.db2.gz UVDFYMARFXRHQO-OAHLLOKOSA-N 2 1 314.433 2.364 20 30 DEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000304762420 685260900 /nfs/dbraw/zinc/26/09/00/685260900.db2.gz VRNBLHUMJRKYBT-NSHDSACASA-N 2 1 310.829 2.417 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001394513912 1158602661 /nfs/dbraw/zinc/60/26/61/1158602661.db2.gz BGBGWRITJDEIET-CABCVRRESA-N 2 1 315.889 2.297 20 30 DEEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc(OC)c(OC)c1)C(C)C ZINC000104191577 684058954 /nfs/dbraw/zinc/05/89/54/684058954.db2.gz UXAYRZHFYCQWRT-UHFFFAOYSA-N 2 1 308.426 2.161 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054135303 693859386 /nfs/dbraw/zinc/85/93/86/693859386.db2.gz ZAFGTHCJUJVKQP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135303 693859390 /nfs/dbraw/zinc/85/93/90/693859390.db2.gz ZAFGTHCJUJVKQP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054135303 693859393 /nfs/dbraw/zinc/85/93/93/693859393.db2.gz ZAFGTHCJUJVKQP-ZHALLVOQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141552 693861069 /nfs/dbraw/zinc/86/10/69/693861069.db2.gz MGYLTLBJXZLASV-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141552 693861071 /nfs/dbraw/zinc/86/10/71/693861071.db2.gz MGYLTLBJXZLASV-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141552 693861072 /nfs/dbraw/zinc/86/10/72/693861072.db2.gz MGYLTLBJXZLASV-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(C)cc(C)c1 ZINC000303873843 685236765 /nfs/dbraw/zinc/23/67/65/685236765.db2.gz GXNAPLUWLFBWQD-MRXNPFEDSA-N 2 1 318.465 2.071 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303888755 685237249 /nfs/dbraw/zinc/23/72/49/685237249.db2.gz PCLSFZSZDXCCCE-HNNXBMFYSA-N 2 1 302.466 2.384 20 30 DEEDMP CC(C)CCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303888755 685237253 /nfs/dbraw/zinc/23/72/53/685237253.db2.gz PCLSFZSZDXCCCE-HNNXBMFYSA-N 2 1 302.466 2.384 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1c(C)cccc1C ZINC000303894020 685238883 /nfs/dbraw/zinc/23/88/83/685238883.db2.gz SHWCCNKOJJWQDC-MRXNPFEDSA-N 2 1 318.465 2.071 20 30 DEEDMP CC[C@H](CNC(=[NH2+])N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000303910062 685240181 /nfs/dbraw/zinc/24/01/81/685240181.db2.gz YOQSNMCBRWJTNA-QGZVFWFLSA-N 2 1 302.466 2.480 20 30 DEEDMP CC[C@H](CNC(=[NH2+])N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000303910062 685240186 /nfs/dbraw/zinc/24/01/86/685240186.db2.gz YOQSNMCBRWJTNA-QGZVFWFLSA-N 2 1 302.466 2.480 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363137 687548457 /nfs/dbraw/zinc/54/84/57/687548457.db2.gz JNGWEEZHVVPAFY-ZDUSSCGKSA-N 2 1 307.369 2.210 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363137 687548459 /nfs/dbraw/zinc/54/84/59/687548459.db2.gz JNGWEEZHVVPAFY-ZDUSSCGKSA-N 2 1 307.369 2.210 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322810 687591392 /nfs/dbraw/zinc/59/13/92/687591392.db2.gz LRRCFSQVRYWKFI-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332247 687595096 /nfs/dbraw/zinc/59/50/96/687595096.db2.gz DKGQDXRWORRMPW-MRXNPFEDSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016820898 687709633 /nfs/dbraw/zinc/70/96/33/687709633.db2.gz WHSAVEPGPOIVKC-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765649 687955819 /nfs/dbraw/zinc/95/58/19/687955819.db2.gz KLINYHVZCYZFAJ-KSZLIROESA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765649 687955823 /nfs/dbraw/zinc/95/58/23/687955823.db2.gz KLINYHVZCYZFAJ-KSZLIROESA-N 2 1 317.477 2.112 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064226 688044105 /nfs/dbraw/zinc/04/41/05/688044105.db2.gz DCYAWYPOOLBVLX-HDICACEKSA-N 2 1 313.445 2.223 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064226 688044113 /nfs/dbraw/zinc/04/41/13/688044113.db2.gz DCYAWYPOOLBVLX-HDICACEKSA-N 2 1 313.445 2.223 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176365 688071987 /nfs/dbraw/zinc/07/19/87/688071987.db2.gz HVYJAHMYICZMRI-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279564 688318414 /nfs/dbraw/zinc/31/84/14/688318414.db2.gz IABONVHVJZIGSO-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032499520 689168450 /nfs/dbraw/zinc/16/84/50/689168450.db2.gz BGJWNRKXHUHTLY-IRXDYDNUSA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032664774 689217375 /nfs/dbraw/zinc/21/73/75/689217375.db2.gz RIQNLLYDXZAIQO-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032664774 689217376 /nfs/dbraw/zinc/21/73/76/689217376.db2.gz RIQNLLYDXZAIQO-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665050 689217456 /nfs/dbraw/zinc/21/74/56/689217456.db2.gz XSIFJZGVPSZAGK-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803603 689264423 /nfs/dbraw/zinc/26/44/23/689264423.db2.gz GCJDXWILEMOVIF-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033467482 689510941 /nfs/dbraw/zinc/51/09/41/689510941.db2.gz PVCIBCBPPMMSLO-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033467482 689510945 /nfs/dbraw/zinc/51/09/45/689510945.db2.gz PVCIBCBPPMMSLO-HNNXBMFYSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033466014 689511315 /nfs/dbraw/zinc/51/13/15/689511315.db2.gz BNUVRYXPRKKONL-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533277 689534519 /nfs/dbraw/zinc/53/45/19/689534519.db2.gz YCZOMNZEBSMPSB-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033533276 689534800 /nfs/dbraw/zinc/53/48/00/689534800.db2.gz YCZOMNZEBSMPSB-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684355 689583125 /nfs/dbraw/zinc/58/31/25/689583125.db2.gz NMWAIVQETNHUNA-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856384 689640459 /nfs/dbraw/zinc/64/04/59/689640459.db2.gz SBNRXJLIQKQIMX-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856384 689640460 /nfs/dbraw/zinc/64/04/60/689640460.db2.gz SBNRXJLIQKQIMX-HZPDHXFCSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339436 689814369 /nfs/dbraw/zinc/81/43/69/689814369.db2.gz FRSJCFBFJGNWPW-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034397740 689835742 /nfs/dbraw/zinc/83/57/42/689835742.db2.gz LCKGMJUCXVNTPS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397740 689835743 /nfs/dbraw/zinc/83/57/43/689835743.db2.gz LCKGMJUCXVNTPS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034397740 689835744 /nfs/dbraw/zinc/83/57/44/689835744.db2.gz LCKGMJUCXVNTPS-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034440033 689850791 /nfs/dbraw/zinc/85/07/91/689850791.db2.gz YMKJUUDKZRXKIW-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440033 689850794 /nfs/dbraw/zinc/85/07/94/689850794.db2.gz YMKJUUDKZRXKIW-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034440033 689850797 /nfs/dbraw/zinc/85/07/97/689850797.db2.gz YMKJUUDKZRXKIW-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486775 689869522 /nfs/dbraw/zinc/86/95/22/689869522.db2.gz LVCPHFBOFCWNBN-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034676398 689924985 /nfs/dbraw/zinc/92/49/85/689924985.db2.gz YIDYTARQWCWKKD-VQHPVUNQSA-N 2 1 305.466 2.206 20 30 DEEDMP C[NH2+]Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000876862675 689956796 /nfs/dbraw/zinc/95/67/96/689956796.db2.gz SWFZUNVIRWGXPQ-SFHVURJKSA-N 2 1 320.396 2.103 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035194261 690056335 /nfs/dbraw/zinc/05/63/35/690056335.db2.gz XYAOPHSCSBHVMD-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035226707 690066057 /nfs/dbraw/zinc/06/60/57/690066057.db2.gz KOQUOWLBCKCLTL-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226707 690066059 /nfs/dbraw/zinc/06/60/59/690066059.db2.gz KOQUOWLBCKCLTL-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226707 690066062 /nfs/dbraw/zinc/06/60/62/690066062.db2.gz KOQUOWLBCKCLTL-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP COCC[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000877665117 690182778 /nfs/dbraw/zinc/18/27/78/690182778.db2.gz HVVVOQJCDUEKQR-UHFFFAOYSA-N 2 1 301.434 2.348 20 30 DEEDMP COCC[N@@H+](Cc1cccc(F)c1C#N)CC1CC[NH+](C)CC1 ZINC000877663767 690182826 /nfs/dbraw/zinc/18/28/26/690182826.db2.gz ADJVJQVHLKJHJH-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP COCC[N@H+](Cc1cccc(F)c1C#N)CC1CC[NH+](C)CC1 ZINC000877663767 690182827 /nfs/dbraw/zinc/18/28/27/690182827.db2.gz ADJVJQVHLKJHJH-UHFFFAOYSA-N 2 1 319.424 2.488 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759882 690462557 /nfs/dbraw/zinc/46/25/57/690462557.db2.gz RWYNTHGSHVLCTQ-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248484 690757466 /nfs/dbraw/zinc/75/74/66/690757466.db2.gz MZRNVCHSFCBMQO-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038248484 690757469 /nfs/dbraw/zinc/75/74/69/690757469.db2.gz MZRNVCHSFCBMQO-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248484 690757473 /nfs/dbraw/zinc/75/74/73/690757473.db2.gz MZRNVCHSFCBMQO-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248484 690757477 /nfs/dbraw/zinc/75/74/77/690757477.db2.gz MZRNVCHSFCBMQO-DOTOQJQBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159426 691035481 /nfs/dbraw/zinc/03/54/81/691035481.db2.gz NGYKCYSGTBCILK-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039244316 691066587 /nfs/dbraw/zinc/06/65/87/691066587.db2.gz XRBCWVHIWYIBNH-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039321846 691081365 /nfs/dbraw/zinc/08/13/65/691081365.db2.gz UEJPJRPOQTZXHG-MGNMYUMUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354030 691234258 /nfs/dbraw/zinc/23/42/58/691234258.db2.gz LEMLIVICYFCOEM-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354030 691234261 /nfs/dbraw/zinc/23/42/61/691234261.db2.gz LEMLIVICYFCOEM-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354030 691234265 /nfs/dbraw/zinc/23/42/65/691234265.db2.gz LEMLIVICYFCOEM-JENIJYKNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040394151 691241434 /nfs/dbraw/zinc/24/14/34/691241434.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394151 691241438 /nfs/dbraw/zinc/24/14/38/691241438.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394151 691241442 /nfs/dbraw/zinc/24/14/42/691241442.db2.gz IQYBGZBJDPZCER-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396975 691242570 /nfs/dbraw/zinc/24/25/70/691242570.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396975 691242574 /nfs/dbraw/zinc/24/25/74/691242574.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396975 691242577 /nfs/dbraw/zinc/24/25/77/691242577.db2.gz XLMSIGXEFNGWEQ-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040493264 691256173 /nfs/dbraw/zinc/25/61/73/691256173.db2.gz JFISKPRXGXGSCG-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040493264 691256176 /nfs/dbraw/zinc/25/61/76/691256176.db2.gz JFISKPRXGXGSCG-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040493264 691256178 /nfs/dbraw/zinc/25/61/78/691256178.db2.gz JFISKPRXGXGSCG-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040820985 691290164 /nfs/dbraw/zinc/29/01/64/691290164.db2.gz ATKMNYIYTRPDBY-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041340760 691363854 /nfs/dbraw/zinc/36/38/54/691363854.db2.gz YMVCEUBOSAEFKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340760 691363856 /nfs/dbraw/zinc/36/38/56/691363856.db2.gz YMVCEUBOSAEFKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340760 691363861 /nfs/dbraw/zinc/36/38/61/691363861.db2.gz YMVCEUBOSAEFKC-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041476191 691381398 /nfs/dbraw/zinc/38/13/98/691381398.db2.gz PSUVHQZCCXOIIZ-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041476191 691381401 /nfs/dbraw/zinc/38/14/01/691381401.db2.gz PSUVHQZCCXOIIZ-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234954 691542678 /nfs/dbraw/zinc/54/26/78/691542678.db2.gz PVBZUDKORXIUEC-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234954 691542681 /nfs/dbraw/zinc/54/26/81/691542681.db2.gz PVBZUDKORXIUEC-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042234954 691542684 /nfs/dbraw/zinc/54/26/84/691542684.db2.gz PVBZUDKORXIUEC-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000886080701 691999701 /nfs/dbraw/zinc/99/97/01/691999701.db2.gz FXSXWPFMMHNJGJ-NJAFHUGGSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000886080701 691999704 /nfs/dbraw/zinc/99/97/04/691999704.db2.gz FXSXWPFMMHNJGJ-NJAFHUGGSA-N 2 1 317.477 2.380 20 30 DEEDMP N#CC1(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000886080701 691999707 /nfs/dbraw/zinc/99/97/07/691999707.db2.gz FXSXWPFMMHNJGJ-NJAFHUGGSA-N 2 1 317.477 2.380 20 30 DEEDMP C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCN1c1cc[nH+]cc1 ZINC000886316758 692054176 /nfs/dbraw/zinc/05/41/76/692054176.db2.gz LWUBRPAXGQGWCN-WBVHZDCISA-N 2 1 314.433 2.037 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045964913 692064656 /nfs/dbraw/zinc/06/46/56/692064656.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964913 692064660 /nfs/dbraw/zinc/06/46/60/692064660.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045964913 692064664 /nfs/dbraw/zinc/06/46/64/692064664.db2.gz AATIADUROXHAKG-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966271 692064759 /nfs/dbraw/zinc/06/47/59/692064759.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966271 692064761 /nfs/dbraw/zinc/06/47/61/692064761.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966271 692064765 /nfs/dbraw/zinc/06/47/65/692064765.db2.gz SMKHZXBJXOTLKB-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[C@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000886590419 692121665 /nfs/dbraw/zinc/12/16/65/692121665.db2.gz UYHYHACJPHIVOC-IEBWSBKVSA-N 2 1 318.461 2.447 20 30 DEEDMP C=CCCC[C@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000886590419 692121667 /nfs/dbraw/zinc/12/16/67/692121667.db2.gz UYHYHACJPHIVOC-IEBWSBKVSA-N 2 1 318.461 2.447 20 30 DEEDMP C=CCCC[C@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000886590420 692121679 /nfs/dbraw/zinc/12/16/79/692121679.db2.gz UYHYHACJPHIVOC-MJGOQNOKSA-N 2 1 318.461 2.447 20 30 DEEDMP C=CCCC[C@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000886590420 692121680 /nfs/dbraw/zinc/12/16/80/692121680.db2.gz UYHYHACJPHIVOC-MJGOQNOKSA-N 2 1 318.461 2.447 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000887136479 692289616 /nfs/dbraw/zinc/28/96/16/692289616.db2.gz UZKDEVFBNYVBDB-NVXWUHKLSA-N 2 1 314.433 2.037 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817264 692703281 /nfs/dbraw/zinc/70/32/81/692703281.db2.gz LSRBTNFBZKYYJU-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817264 692703284 /nfs/dbraw/zinc/70/32/84/692703284.db2.gz LSRBTNFBZKYYJU-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817264 692703285 /nfs/dbraw/zinc/70/32/85/692703285.db2.gz LSRBTNFBZKYYJU-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516621 692908226 /nfs/dbraw/zinc/90/82/26/692908226.db2.gz DTKUXTVKKBUBCM-CVEARBPZSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049566931 692923616 /nfs/dbraw/zinc/92/36/16/692923616.db2.gz HFBNGPJGLFLYLH-DLBZAZTESA-N 2 1 317.477 2.256 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595042 692935716 /nfs/dbraw/zinc/93/57/16/692935716.db2.gz RJANZZREHNCGPR-ZWKOTPCHSA-N 2 1 322.412 2.037 20 30 DEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCNCC1)CC2 ZINC000925847844 693352694 /nfs/dbraw/zinc/35/26/94/693352694.db2.gz WFBBTLZLONKDIM-LJQANCHMSA-N 2 1 312.461 2.211 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513869 693553782 /nfs/dbraw/zinc/55/37/82/693553782.db2.gz JXJVNCUJMKTURM-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]21 ZINC001332143604 1149825174 /nfs/dbraw/zinc/82/51/74/1149825174.db2.gz BOGXPGOBWNLGNY-BRWVUGGUSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CC[N@@H+](C[C@H](CC)OC)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001349700842 1151273722 /nfs/dbraw/zinc/27/37/22/1151273722.db2.gz SUGJYLSQLXIHOO-MSOLQXFVSA-N 2 1 310.482 2.236 20 30 DEEDMP C#CC[N@H+](C[C@H](CC)OC)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001349700842 1151273725 /nfs/dbraw/zinc/27/37/25/1151273725.db2.gz SUGJYLSQLXIHOO-MSOLQXFVSA-N 2 1 310.482 2.236 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001480076881 1151551670 /nfs/dbraw/zinc/55/16/70/1151551670.db2.gz GCSUFKAZBXUBAZ-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480076881 1151551675 /nfs/dbraw/zinc/55/16/75/1151551675.db2.gz GCSUFKAZBXUBAZ-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001380837100 1152863021 /nfs/dbraw/zinc/86/30/21/1152863021.db2.gz DHNHKXYVBNEYDJ-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001391239256 1156276407 /nfs/dbraw/zinc/27/64/07/1156276407.db2.gz AQAAKKKKSNBUFC-JKSUJKDBSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001391239256 1156276413 /nfs/dbraw/zinc/27/64/13/1156276413.db2.gz AQAAKKKKSNBUFC-JKSUJKDBSA-N 2 1 321.852 2.138 20 30 DEEDMP C=C(Cl)CN(CCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001372816849 1156801592 /nfs/dbraw/zinc/80/15/92/1156801592.db2.gz CZDLMGISQGFPES-OAHLLOKOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001392197061 1156888405 /nfs/dbraw/zinc/88/84/05/1156888405.db2.gz VDZGLTXMCWDRLP-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001394376316 1158446047 /nfs/dbraw/zinc/44/60/47/1158446047.db2.gz SFUMHQOYYJYJMV-HDJSIYSDSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)CN(C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001394800034 1158782680 /nfs/dbraw/zinc/78/26/80/1158782680.db2.gz BYUWZJZIBHFHHA-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001420025470 1169076569 /nfs/dbraw/zinc/07/65/69/1169076569.db2.gz RPTDYIATDKYYNW-HUUCEWRRSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001422899355 1172905386 /nfs/dbraw/zinc/90/53/86/1172905386.db2.gz IEENMZBJNKLTJQ-KKUMJFAQSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001425436819 1174320233 /nfs/dbraw/zinc/32/02/33/1174320233.db2.gz ORMFVQONEUOMLZ-UHFFFAOYSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001425436819 1174320235 /nfs/dbraw/zinc/32/02/35/1174320235.db2.gz ORMFVQONEUOMLZ-UHFFFAOYSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001425436819 1174320238 /nfs/dbraw/zinc/32/02/38/1174320238.db2.gz ORMFVQONEUOMLZ-UHFFFAOYSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001439858277 1181276914 /nfs/dbraw/zinc/27/69/14/1181276914.db2.gz MNZSCSXHJYZXAK-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001439858277 1181276933 /nfs/dbraw/zinc/27/69/33/1181276933.db2.gz MNZSCSXHJYZXAK-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439858277 1181276943 /nfs/dbraw/zinc/27/69/43/1181276943.db2.gz MNZSCSXHJYZXAK-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001439858277 1181276951 /nfs/dbraw/zinc/27/69/51/1181276951.db2.gz MNZSCSXHJYZXAK-GOEBONIOSA-N 2 1 313.873 2.194 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332804069 1149893981 /nfs/dbraw/zinc/89/39/81/1149893981.db2.gz ANWFPJCBYXHVTC-JKSUJKDBSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332804067 1149894050 /nfs/dbraw/zinc/89/40/50/1149894050.db2.gz ANWFPJCBYXHVTC-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964046 779575560 /nfs/dbraw/zinc/57/55/60/779575560.db2.gz UJIWYMLPCVKRTI-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964046 779575566 /nfs/dbraw/zinc/57/55/66/779575566.db2.gz UJIWYMLPCVKRTI-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964046 779575572 /nfs/dbraw/zinc/57/55/72/779575572.db2.gz UJIWYMLPCVKRTI-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536257 783189065 /nfs/dbraw/zinc/18/90/65/783189065.db2.gz ANHFELMVAHAGSL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536257 783189076 /nfs/dbraw/zinc/18/90/76/783189076.db2.gz ANHFELMVAHAGSL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536257 783189083 /nfs/dbraw/zinc/18/90/83/783189083.db2.gz ANHFELMVAHAGSL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540465 783191202 /nfs/dbraw/zinc/19/12/02/783191202.db2.gz VVPJFTAIOLDTDQ-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351854 776941634 /nfs/dbraw/zinc/94/16/34/776941634.db2.gz PIQJFDQWQGAGBW-UHFFFAOYSA-N 2 1 318.465 2.459 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001167471088 777121483 /nfs/dbraw/zinc/12/14/83/777121483.db2.gz SVFKWAGVJLSRAO-UHFFFAOYSA-N 2 1 321.509 2.398 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001171072667 790563300 /nfs/dbraw/zinc/56/33/00/790563300.db2.gz QOPLDCOBDFCNLV-HOTGVXAUSA-N 2 1 317.433 2.271 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529513 778606804 /nfs/dbraw/zinc/60/68/04/778606804.db2.gz CSKLLODKRXNKCR-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114982038 778673638 /nfs/dbraw/zinc/67/36/38/778673638.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982038 778673644 /nfs/dbraw/zinc/67/36/44/778673644.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982038 778673649 /nfs/dbraw/zinc/67/36/49/778673649.db2.gz GZYULEVKDNWKGL-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578899 779362876 /nfs/dbraw/zinc/36/28/76/779362876.db2.gz WCAQKGKTFLHSBT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578899 779362883 /nfs/dbraw/zinc/36/28/83/779362883.db2.gz WCAQKGKTFLHSBT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578899 779362890 /nfs/dbraw/zinc/36/28/90/779362890.db2.gz WCAQKGKTFLHSBT-MWDXBVQZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840658 779479127 /nfs/dbraw/zinc/47/91/27/779479127.db2.gz IHEJWRMFGLXQQE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840658 779479131 /nfs/dbraw/zinc/47/91/31/779479131.db2.gz IHEJWRMFGLXQQE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840658 779479138 /nfs/dbraw/zinc/47/91/38/779479138.db2.gz IHEJWRMFGLXQQE-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002450 779626615 /nfs/dbraw/zinc/62/66/15/779626615.db2.gz FZZKQGWICOVFQE-SQNIBIBYSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000985568022 779919094 /nfs/dbraw/zinc/91/90/94/779919094.db2.gz CQQBZLXLWNKHDF-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621346 780659627 /nfs/dbraw/zinc/65/96/27/780659627.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621346 780659630 /nfs/dbraw/zinc/65/96/30/780659630.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621346 780659634 /nfs/dbraw/zinc/65/96/34/780659634.db2.gz ADIDSLUJYRFRFJ-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621730 780660970 /nfs/dbraw/zinc/66/09/70/780660970.db2.gz QLDFWJKIGPVPGD-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621730 780660976 /nfs/dbraw/zinc/66/09/76/780660976.db2.gz QLDFWJKIGPVPGD-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621730 780660982 /nfs/dbraw/zinc/66/09/82/780660982.db2.gz QLDFWJKIGPVPGD-ZACQAIPSSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001091026540 790838276 /nfs/dbraw/zinc/83/82/76/790838276.db2.gz PMUZJRBHZPVJQY-YMAMQOFZSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770328 780970393 /nfs/dbraw/zinc/97/03/93/780970393.db2.gz IZVRIWDDVCVRKY-NJAFHUGGSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068579 790889832 /nfs/dbraw/zinc/88/98/32/790889832.db2.gz VBYMGKVYFTTXSV-DQPZFDDXSA-N 2 1 305.466 2.064 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948589578 783514177 /nfs/dbraw/zinc/51/41/77/783514177.db2.gz CPRQXFGUXYCVJU-KRWDZBQOSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208219 783905567 /nfs/dbraw/zinc/90/55/67/783905567.db2.gz RNZCHWDPLJQTPJ-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917774 784212779 /nfs/dbraw/zinc/21/27/79/784212779.db2.gz KGMMVHLGMPEYCB-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376619 784337429 /nfs/dbraw/zinc/33/74/29/784337429.db2.gz APXCHBPTNAJRRQ-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376619 784337437 /nfs/dbraw/zinc/33/74/37/784337437.db2.gz APXCHBPTNAJRRQ-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086133978 784429095 /nfs/dbraw/zinc/42/90/95/784429095.db2.gz MMVDKIURUHHPOQ-BBWFWOEESA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968516439 784439421 /nfs/dbraw/zinc/43/94/21/784439421.db2.gz AZAWMPSCSJMXFH-CRAIPNDOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924881 784536578 /nfs/dbraw/zinc/53/65/78/784536578.db2.gz KHGKKSHVMFEWKQ-NWGLXNPWSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001086381736 784634283 /nfs/dbraw/zinc/63/42/83/784634283.db2.gz GNZSADUMJSMAIX-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086502811 784797924 /nfs/dbraw/zinc/79/79/24/784797924.db2.gz PCAMXUOMBQXQDL-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794152 785540694 /nfs/dbraw/zinc/54/06/94/785540694.db2.gz PHYKIERNBUSCHQ-ULQDDVLXSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171253414 791145293 /nfs/dbraw/zinc/14/52/93/791145293.db2.gz CUQZNSKVMKJZGB-IRXDYDNUSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428253 785869922 /nfs/dbraw/zinc/86/99/22/785869922.db2.gz WAJXZUMHMMONHK-QZWWFDLISA-N 2 1 307.482 2.260 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526150 785915949 /nfs/dbraw/zinc/91/59/49/785915949.db2.gz QYCIUACIXNIKOW-SIXLDLHFSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526150 785915956 /nfs/dbraw/zinc/91/59/56/785915956.db2.gz QYCIUACIXNIKOW-SIXLDLHFSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846540 786084452 /nfs/dbraw/zinc/08/44/52/786084452.db2.gz OPULDKMVQBFTMD-IKGGRYGDSA-N 2 1 316.449 2.269 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109846540 786084458 /nfs/dbraw/zinc/08/44/58/786084458.db2.gz OPULDKMVQBFTMD-IKGGRYGDSA-N 2 1 316.449 2.269 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001113008492 786358155 /nfs/dbraw/zinc/35/81/55/786358155.db2.gz RUZLVYOIOIKPGH-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113307984 786518749 /nfs/dbraw/zinc/51/87/49/786518749.db2.gz XDYZGGBDXDDTSF-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001113346253 786538858 /nfs/dbraw/zinc/53/88/58/786538858.db2.gz SWWAYYFTOUWXID-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014723856 786724049 /nfs/dbraw/zinc/72/40/49/786724049.db2.gz RQYVKUMNDNCYHT-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014723856 786724056 /nfs/dbraw/zinc/72/40/56/786724056.db2.gz RQYVKUMNDNCYHT-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014723856 786724061 /nfs/dbraw/zinc/72/40/61/786724061.db2.gz RQYVKUMNDNCYHT-NVXWUHKLSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015030802 786870546 /nfs/dbraw/zinc/87/05/46/786870546.db2.gz AETKHISBCUKIEJ-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001015597479 787131227 /nfs/dbraw/zinc/13/12/27/787131227.db2.gz SDOWFUUFVOXOTR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597479 787131236 /nfs/dbraw/zinc/13/12/36/787131236.db2.gz SDOWFUUFVOXOTR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001015597479 787131242 /nfs/dbraw/zinc/13/12/42/787131242.db2.gz SDOWFUUFVOXOTR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022410 787454857 /nfs/dbraw/zinc/45/48/57/787454857.db2.gz PILBTYBPDSCVOM-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096022410 787454863 /nfs/dbraw/zinc/45/48/63/787454863.db2.gz PILBTYBPDSCVOM-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096238063 787593268 /nfs/dbraw/zinc/59/32/68/787593268.db2.gz QRVVJNUIKLEGNR-IKGGRYGDSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105897 787931902 /nfs/dbraw/zinc/93/19/02/787931902.db2.gz OELPGCPWBMRWEF-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409981 788063003 /nfs/dbraw/zinc/06/30/03/788063003.db2.gz IAYWAFLXARGOLR-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126314 788774284 /nfs/dbraw/zinc/77/42/84/788774284.db2.gz KRPRFWVNECSXHB-MSOLQXFVSA-N 2 1 315.461 2.004 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805268 789095642 /nfs/dbraw/zinc/09/56/42/789095642.db2.gz QYYBTMGSCKRFLK-KBPBESRZSA-N 2 1 322.453 2.189 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135467475 789356661 /nfs/dbraw/zinc/35/66/61/789356661.db2.gz GKKPIKUXURTJGQ-ZIAGYGMSSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583750 789402441 /nfs/dbraw/zinc/40/24/41/789402441.db2.gz DVGFWUGPMSFPQM-HUUCEWRRSA-N 2 1 306.454 2.456 20 30 DEEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086819992 789643222 /nfs/dbraw/zinc/64/32/22/789643222.db2.gz KVASLPCTOQMSPA-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071507830 789747636 /nfs/dbraw/zinc/74/76/36/789747636.db2.gz CGGLHWBHYRTJKC-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071507829 789747683 /nfs/dbraw/zinc/74/76/83/789747683.db2.gz CGGLHWBHYRTJKC-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072731551 790232218 /nfs/dbraw/zinc/23/22/18/790232218.db2.gz GIOAQWJWKVJQDY-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731551 790232223 /nfs/dbraw/zinc/23/22/23/790232223.db2.gz GIOAQWJWKVJQDY-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731551 790232227 /nfs/dbraw/zinc/23/22/27/790232227.db2.gz GIOAQWJWKVJQDY-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735430 790233189 /nfs/dbraw/zinc/23/31/89/790233189.db2.gz BILQGSRBRPMHBH-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653128 791259814 /nfs/dbraw/zinc/25/98/14/791259814.db2.gz ZSGCTRUYEFJILP-BQFCYCMXSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146707708 791345889 /nfs/dbraw/zinc/34/58/89/791345889.db2.gz YKBZLGQZDDXVIM-HZPDHXFCSA-N 2 1 303.450 2.177 20 30 DEEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146707708 791345896 /nfs/dbraw/zinc/34/58/96/791345896.db2.gz YKBZLGQZDDXVIM-HZPDHXFCSA-N 2 1 303.450 2.177 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC=C ZINC001171308769 791562600 /nfs/dbraw/zinc/56/26/00/791562600.db2.gz WCRMZLGXYIPRBG-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC=C ZINC001171308769 791562607 /nfs/dbraw/zinc/56/26/07/791562607.db2.gz WCRMZLGXYIPRBG-ROUUACIJSA-N 2 1 319.493 2.315 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725724 791607731 /nfs/dbraw/zinc/60/77/31/791607731.db2.gz YZFQKLOYLHTSPT-DOTOQJQBSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687130 791706566 /nfs/dbraw/zinc/70/65/66/791706566.db2.gz RCKKCWFIHYTVEP-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687130 791706572 /nfs/dbraw/zinc/70/65/72/791706572.db2.gz RCKKCWFIHYTVEP-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687130 791706575 /nfs/dbraw/zinc/70/65/75/791706575.db2.gz RCKKCWFIHYTVEP-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932576 791860382 /nfs/dbraw/zinc/86/03/82/791860382.db2.gz OIZJKTUXQQWVIO-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846253 791961232 /nfs/dbraw/zinc/96/12/32/791961232.db2.gz AYWFMFDHOZZOEA-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846253 791961237 /nfs/dbraw/zinc/96/12/37/791961237.db2.gz AYWFMFDHOZZOEA-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846253 791961241 /nfs/dbraw/zinc/96/12/41/791961241.db2.gz AYWFMFDHOZZOEA-BMFAXAFESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098873286 791971276 /nfs/dbraw/zinc/97/12/76/791971276.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873286 791971279 /nfs/dbraw/zinc/97/12/79/791971279.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098873286 791971289 /nfs/dbraw/zinc/97/12/89/791971289.db2.gz LSRJVBCWHBNUMK-AOIWGVFYSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092602982 792080955 /nfs/dbraw/zinc/08/09/55/792080955.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602982 792080967 /nfs/dbraw/zinc/08/09/67/792080967.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602982 792080974 /nfs/dbraw/zinc/08/09/74/792080974.db2.gz PNSKMOOWWMPCLD-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092769 792088672 /nfs/dbraw/zinc/08/86/72/792088672.db2.gz KYRFPAACAMYMEQ-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092769 792088683 /nfs/dbraw/zinc/08/86/83/792088683.db2.gz KYRFPAACAMYMEQ-HKUYNNGSSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099122449 792104957 /nfs/dbraw/zinc/10/49/57/792104957.db2.gz UFQKIKCYDMHCLR-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122449 792104961 /nfs/dbraw/zinc/10/49/61/792104961.db2.gz UFQKIKCYDMHCLR-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122449 792104964 /nfs/dbraw/zinc/10/49/64/792104964.db2.gz UFQKIKCYDMHCLR-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144186 792114389 /nfs/dbraw/zinc/11/43/89/792114389.db2.gz BGDAOSCNZIVYGK-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144186 792114397 /nfs/dbraw/zinc/11/43/97/792114397.db2.gz BGDAOSCNZIVYGK-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521747 792230880 /nfs/dbraw/zinc/23/08/80/792230880.db2.gz SRIFHSXJSVPXLO-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544725 792236084 /nfs/dbraw/zinc/23/60/84/792236084.db2.gz UGPLKCFHGSMCHL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544725 792236090 /nfs/dbraw/zinc/23/60/90/792236090.db2.gz UGPLKCFHGSMCHL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544725 792236101 /nfs/dbraw/zinc/23/61/01/792236101.db2.gz UGPLKCFHGSMCHL-FJIDUMEYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403789 792632340 /nfs/dbraw/zinc/63/23/40/792632340.db2.gz YPQMLNHJRHDTKZ-ADKAHSJRSA-N 2 1 321.509 2.415 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720016 792809976 /nfs/dbraw/zinc/80/99/76/792809976.db2.gz CQTCWDYXBXHJEX-UHFFFAOYSA-N 2 1 324.856 2.243 20 30 DEEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848476 792881256 /nfs/dbraw/zinc/88/12/56/792881256.db2.gz OPSQMVOEZLKIRV-ABHNRTSZSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171539372 793113577 /nfs/dbraw/zinc/11/35/77/793113577.db2.gz TZRUBCGLUANCKT-GJZGRUSLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474254 793172088 /nfs/dbraw/zinc/17/20/88/793172088.db2.gz PKJQHQPPDXGQOV-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575101 793240830 /nfs/dbraw/zinc/24/08/30/793240830.db2.gz TTZGMLSIWBSJMU-DOTOQJQBSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594701 793258627 /nfs/dbraw/zinc/25/86/27/793258627.db2.gz LGPWHTLUADSBFW-INIZCTEOSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985060 793469326 /nfs/dbraw/zinc/46/93/26/793469326.db2.gz YKKICVWSQXGYJY-BZUAXINKSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985060 793469328 /nfs/dbraw/zinc/46/93/28/793469328.db2.gz YKKICVWSQXGYJY-BZUAXINKSA-N 2 1 318.465 2.267 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102600294 793669017 /nfs/dbraw/zinc/66/90/17/793669017.db2.gz XRTIJWIRYHSKKC-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368109 794061493 /nfs/dbraw/zinc/06/14/93/794061493.db2.gz PBAVWWSIBRPCBW-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368109 794061501 /nfs/dbraw/zinc/06/15/01/794061501.db2.gz PBAVWWSIBRPCBW-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368109 794061503 /nfs/dbraw/zinc/06/15/03/794061503.db2.gz PBAVWWSIBRPCBW-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426603 794088070 /nfs/dbraw/zinc/08/80/70/794088070.db2.gz DQRWAGFFJYPAOK-KURKYZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433420 794090007 /nfs/dbraw/zinc/09/00/07/794090007.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103433420 794090015 /nfs/dbraw/zinc/09/00/15/794090015.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103433420 794090026 /nfs/dbraw/zinc/09/00/26/794090026.db2.gz FIMXSIOUVAVLHP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103435183 794092421 /nfs/dbraw/zinc/09/24/21/794092421.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103435183 794092435 /nfs/dbraw/zinc/09/24/35/794092435.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103435183 794092444 /nfs/dbraw/zinc/09/24/44/794092444.db2.gz UHGXODSCCCOVQK-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724815 794202468 /nfs/dbraw/zinc/20/24/68/794202468.db2.gz VHTDWMOPQACIQQ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724815 794202474 /nfs/dbraw/zinc/20/24/74/794202474.db2.gz VHTDWMOPQACIQQ-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874954 794509778 /nfs/dbraw/zinc/50/97/78/794509778.db2.gz JAYDCIQFWSDWGP-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177021294 794559871 /nfs/dbraw/zinc/55/98/71/794559871.db2.gz QFOVBPMJOZABIS-KRWDZBQOSA-N 2 1 303.450 2.351 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045040 794803927 /nfs/dbraw/zinc/80/39/27/794803927.db2.gz AYSUTLBDZJWJLA-AWEZNQCLSA-N 2 1 301.862 2.099 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688258 794879346 /nfs/dbraw/zinc/87/93/46/794879346.db2.gz TZXCWYVLVDRSOO-QGZVFWFLSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH]cnc32)CCCCC1 ZINC001115724985 794895971 /nfs/dbraw/zinc/89/59/71/794895971.db2.gz DMVCJHPXTINZLL-AWEZNQCLSA-N 2 1 316.449 2.424 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179357819 795097292 /nfs/dbraw/zinc/09/72/92/795097292.db2.gz LXLYVAGXUGFVBA-GOSISDBHSA-N 2 1 321.509 2.398 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792490 795177477 /nfs/dbraw/zinc/17/74/77/795177477.db2.gz PIFRAWQYUORLEI-MSOLQXFVSA-N 2 1 319.493 2.293 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207759 795421937 /nfs/dbraw/zinc/42/19/37/795421937.db2.gz DVCOKQNSRXHJJP-QGZVFWFLSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207844 795422088 /nfs/dbraw/zinc/42/20/88/795422088.db2.gz ISTVLXFYAXJZBJ-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120834752 795540208 /nfs/dbraw/zinc/54/02/08/795540208.db2.gz OCXHEXVMDJAGAO-DKVCYUOUSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121318543 795616436 /nfs/dbraw/zinc/61/64/36/795616436.db2.gz KKECUGAOGBSWJV-UHFFFAOYSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183240944 795835714 /nfs/dbraw/zinc/83/57/14/795835714.db2.gz WJHUCZYEKUWLRZ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256107 795839782 /nfs/dbraw/zinc/83/97/82/795839782.db2.gz SEDBUUJOCFXDCP-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185547509 796289894 /nfs/dbraw/zinc/28/98/94/796289894.db2.gz IGJGIFKIAPAEFJ-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185693288 796306027 /nfs/dbraw/zinc/30/60/27/796306027.db2.gz YYEFRJWXBLQQCR-SWLSCSKDSA-N 2 1 324.856 2.018 20 30 DEEDMP C#C[C@H]1CCC[N@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257422 796349821 /nfs/dbraw/zinc/34/98/21/796349821.db2.gz BDFHNWYPERXNNP-AWEZNQCLSA-N 2 1 302.418 2.308 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186975512 796468598 /nfs/dbraw/zinc/46/85/98/796468598.db2.gz QKNYOCFAKWPVRE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433546 797338327 /nfs/dbraw/zinc/33/83/27/797338327.db2.gz WPSLCJAKQRFMML-JKSUJKDBSA-N 2 1 318.465 2.247 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433546 797338333 /nfs/dbraw/zinc/33/83/33/797338333.db2.gz WPSLCJAKQRFMML-JKSUJKDBSA-N 2 1 318.465 2.247 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823888 797404765 /nfs/dbraw/zinc/40/47/65/797404765.db2.gz CKVIRAMPEKPGJK-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823888 797404769 /nfs/dbraw/zinc/40/47/69/797404769.db2.gz CKVIRAMPEKPGJK-CYBMUJFWSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028982 797492060 /nfs/dbraw/zinc/49/20/60/797492060.db2.gz WVIKVLBTJXQMLU-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001154332150 797514836 /nfs/dbraw/zinc/51/48/36/797514836.db2.gz HVBWPEKQTXJQFP-CQSZACIVSA-N 2 1 300.406 2.351 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154463990 797539251 /nfs/dbraw/zinc/53/92/51/797539251.db2.gz APGALVORCDCLMD-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844323 797625498 /nfs/dbraw/zinc/62/54/98/797625498.db2.gz BDAWSOKGYBNSLG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844323 797625500 /nfs/dbraw/zinc/62/55/00/797625500.db2.gz BDAWSOKGYBNSLG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844323 797625504 /nfs/dbraw/zinc/62/55/04/797625504.db2.gz BDAWSOKGYBNSLG-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227993 797696400 /nfs/dbraw/zinc/69/64/00/797696400.db2.gz OVQQKGHSYBGDCC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275729 798034239 /nfs/dbraw/zinc/03/42/39/798034239.db2.gz MUIXOAAYKFMYAB-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCCC)CC1 ZINC001157091816 798142436 /nfs/dbraw/zinc/14/24/36/798142436.db2.gz CVPPDPMUBQXKKU-QGZVFWFLSA-N 2 1 321.509 2.348 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001197331808 798178924 /nfs/dbraw/zinc/17/89/24/798178924.db2.gz NMVKZJRQCILUMY-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477555 798193211 /nfs/dbraw/zinc/19/32/11/798193211.db2.gz JTWHOAFBCOKCPR-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158355662 798390945 /nfs/dbraw/zinc/39/09/45/798390945.db2.gz OQAHWXKDLMWVOK-OAHLLOKOSA-N 2 1 306.454 2.459 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909079 798488192 /nfs/dbraw/zinc/48/81/92/798488192.db2.gz GZACTHNVLVKJDU-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578164 798653088 /nfs/dbraw/zinc/65/30/88/798653088.db2.gz NEKPXMFPAFFBAD-NVXWUHKLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160359866 798678999 /nfs/dbraw/zinc/67/89/99/798678999.db2.gz DIKHVXHEXQJUOR-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160359866 798679002 /nfs/dbraw/zinc/67/90/02/798679002.db2.gz DIKHVXHEXQJUOR-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP Cc1ccc(CC#N)c(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]1 ZINC001161588366 798891646 /nfs/dbraw/zinc/89/16/46/798891646.db2.gz WYVGPWOIBDTQLA-UHFFFAOYSA-N 2 1 307.401 2.306 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161699555 798915125 /nfs/dbraw/zinc/91/51/25/798915125.db2.gz UGNIEHAAOGOFFJ-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001161789800 798937252 /nfs/dbraw/zinc/93/72/52/798937252.db2.gz AGDCYCHCCLPPJG-IBGZPJMESA-N 2 1 317.477 2.187 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001161789800 798937256 /nfs/dbraw/zinc/93/72/56/798937256.db2.gz AGDCYCHCCLPPJG-IBGZPJMESA-N 2 1 317.477 2.187 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001161789800 798937262 /nfs/dbraw/zinc/93/72/62/798937262.db2.gz AGDCYCHCCLPPJG-IBGZPJMESA-N 2 1 317.477 2.187 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110666862 798953845 /nfs/dbraw/zinc/95/38/45/798953845.db2.gz YHKRSZMWTAQFPM-WCXIOVBPSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673571 798958939 /nfs/dbraw/zinc/95/89/39/798958939.db2.gz GTUKOAOLNNWXAJ-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673571 798958946 /nfs/dbraw/zinc/95/89/46/798958946.db2.gz GTUKOAOLNNWXAJ-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673571 798958953 /nfs/dbraw/zinc/95/89/53/798958953.db2.gz GTUKOAOLNNWXAJ-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952658 798977345 /nfs/dbraw/zinc/97/73/45/798977345.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952658 798977349 /nfs/dbraw/zinc/97/73/49/798977349.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952658 798977354 /nfs/dbraw/zinc/97/73/54/798977354.db2.gz HXPQMQUCPZSKTQ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485575 799737062 /nfs/dbraw/zinc/73/70/62/799737062.db2.gz ZFMVIRITIDDCSR-HNNXBMFYSA-N 2 1 316.449 2.213 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485149 799737124 /nfs/dbraw/zinc/73/71/24/799737124.db2.gz NPSUSVLYEIILHY-HNNXBMFYSA-N 2 1 316.449 2.213 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732220 800114656 /nfs/dbraw/zinc/11/46/56/800114656.db2.gz XMPGCFZPRNUTEB-HOTGVXAUSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464986 800361445 /nfs/dbraw/zinc/36/14/45/800361445.db2.gz YYKJIGMMUDVXQT-SFHVURJKSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ncccc2C)CC1 ZINC001205813866 800425257 /nfs/dbraw/zinc/42/52/57/800425257.db2.gz MIAIMGBPPMDDKR-UHFFFAOYSA-N 2 1 314.477 2.182 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481221 800540927 /nfs/dbraw/zinc/54/09/27/800540927.db2.gz FCKCOBFPZHDHFD-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207337772 800732732 /nfs/dbraw/zinc/73/27/32/800732732.db2.gz WXJMEYAAQBOCKD-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207337772 800732735 /nfs/dbraw/zinc/73/27/35/800732735.db2.gz WXJMEYAAQBOCKD-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789593 800834137 /nfs/dbraw/zinc/83/41/37/800834137.db2.gz BKGJBJWQVRPNEC-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789593 800834149 /nfs/dbraw/zinc/83/41/49/800834149.db2.gz BKGJBJWQVRPNEC-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789593 800834153 /nfs/dbraw/zinc/83/41/53/800834153.db2.gz BKGJBJWQVRPNEC-NVXWUHKLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859134 800850225 /nfs/dbraw/zinc/85/02/25/800850225.db2.gz JLBRBJRBJINRNB-BRWVUGGUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208113881 800915649 /nfs/dbraw/zinc/91/56/49/800915649.db2.gz JSXOPSGWJJBFHN-NXHRZFHOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209660285 801248719 /nfs/dbraw/zinc/24/87/19/801248719.db2.gz PFPOCBHMISFZCE-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468517 801281671 /nfs/dbraw/zinc/28/16/71/801281671.db2.gz FYNMYWVBDRKNGG-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001230267426 801378309 /nfs/dbraw/zinc/37/83/09/801378309.db2.gz CEIMZUCRIFLGLB-AWEZNQCLSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230280387 801380301 /nfs/dbraw/zinc/38/03/01/801380301.db2.gz VWVHJBIODVANSW-KZNAEPCWSA-N 2 1 315.461 2.492 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584669 801426510 /nfs/dbraw/zinc/42/65/10/801426510.db2.gz JPNNCPPYMVUDTH-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618403 801437834 /nfs/dbraw/zinc/43/78/34/801437834.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618403 801437837 /nfs/dbraw/zinc/43/78/37/801437837.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618403 801437839 /nfs/dbraw/zinc/43/78/39/801437839.db2.gz MMDDBBIYZXLFBS-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876578 802623626 /nfs/dbraw/zinc/62/36/26/802623626.db2.gz JJUQBDNIVFWRTA-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876578 802623628 /nfs/dbraw/zinc/62/36/28/802623628.db2.gz JJUQBDNIVFWRTA-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876578 802623631 /nfs/dbraw/zinc/62/36/31/802623631.db2.gz JJUQBDNIVFWRTA-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876578 802623634 /nfs/dbraw/zinc/62/36/34/802623634.db2.gz JJUQBDNIVFWRTA-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013587 802632999 /nfs/dbraw/zinc/63/29/99/802632999.db2.gz HAAHTLFYSQENPW-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013587 802633002 /nfs/dbraw/zinc/63/30/02/802633002.db2.gz HAAHTLFYSQENPW-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013587 802633006 /nfs/dbraw/zinc/63/30/06/802633006.db2.gz HAAHTLFYSQENPW-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)COc1ccccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091322 802641612 /nfs/dbraw/zinc/64/16/12/802641612.db2.gz QJNDMUVVRRCAML-UHFFFAOYSA-N 2 1 315.461 2.169 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541438 802979346 /nfs/dbraw/zinc/97/93/46/802979346.db2.gz CJPWZECBDBDDGQ-IYBDPMFKSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226859624 803169786 /nfs/dbraw/zinc/16/97/86/803169786.db2.gz ABTQRNZWGSVQEN-KURKYZTESA-N 2 1 319.493 2.147 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)C ZINC001226859624 803169789 /nfs/dbraw/zinc/16/97/89/803169789.db2.gz ABTQRNZWGSVQEN-KURKYZTESA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227443426 803241542 /nfs/dbraw/zinc/24/15/42/803241542.db2.gz KCFSGAIABYUGJO-ZMSDIMECSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001418316411 1167571253 /nfs/dbraw/zinc/57/12/53/1167571253.db2.gz IFTBHYPTBHAKMG-ZFWWWQNUSA-N 2 1 309.841 2.136 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722468 /nfs/dbraw/zinc/72/24/68/1148722468.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722479 /nfs/dbraw/zinc/72/24/79/1148722479.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001328101989 1148722488 /nfs/dbraw/zinc/72/24/88/1148722488.db2.gz JUKYAGOLHWWNKR-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001460800141 1058509237 /nfs/dbraw/zinc/50/92/37/1058509237.db2.gz IBOOZGJSSXPVIP-KXBFYZLASA-N 2 1 322.412 2.197 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500161063 1058538101 /nfs/dbraw/zinc/53/81/01/1058538101.db2.gz GITPYWQPECFBHU-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001500161063 1058538122 /nfs/dbraw/zinc/53/81/22/1058538122.db2.gz GITPYWQPECFBHU-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001500161063 1058538136 /nfs/dbraw/zinc/53/81/36/1058538136.db2.gz GITPYWQPECFBHU-LJQANCHMSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001500381765 1058739048 /nfs/dbraw/zinc/73/90/48/1058739048.db2.gz DQLSTWOPSXSXQE-MJGOQNOKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001501890040 1059759511 /nfs/dbraw/zinc/75/95/11/1059759511.db2.gz SNDJBCYPNUNBBU-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502933156 1060399596 /nfs/dbraw/zinc/39/95/96/1060399596.db2.gz JMTHZFIGANMTCT-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001502933156 1060399613 /nfs/dbraw/zinc/39/96/13/1060399613.db2.gz JMTHZFIGANMTCT-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001502933156 1060399633 /nfs/dbraw/zinc/39/96/33/1060399633.db2.gz JMTHZFIGANMTCT-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001502933156 1060399651 /nfs/dbraw/zinc/39/96/51/1060399651.db2.gz JMTHZFIGANMTCT-KBPBESRZSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001479233287 1061308509 /nfs/dbraw/zinc/30/85/09/1061308509.db2.gz IQWRVWUOQOYOID-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479233287 1061308531 /nfs/dbraw/zinc/30/85/31/1061308531.db2.gz IQWRVWUOQOYOID-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479233287 1061308555 /nfs/dbraw/zinc/30/85/55/1061308555.db2.gz IQWRVWUOQOYOID-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001479844030 1061893489 /nfs/dbraw/zinc/89/34/89/1061893489.db2.gz WNZJJLWMNFJULZ-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001480085096 1062304398 /nfs/dbraw/zinc/30/43/98/1062304398.db2.gz PCIQDBAEFPQHOM-HNNXBMFYSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001480366130 1062719493 /nfs/dbraw/zinc/71/94/93/1062719493.db2.gz UAHPTBBEBBJLOY-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001507290531 1063042319 /nfs/dbraw/zinc/04/23/19/1063042319.db2.gz SFYLCFBDOKPQNS-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480697275 1063205019 /nfs/dbraw/zinc/20/50/19/1063205019.db2.gz LRBPOAPMAQGXRS-HOTGVXAUSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480725491 1063249305 /nfs/dbraw/zinc/24/93/05/1063249305.db2.gz SNVJLJCEJOYPPG-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001493086698 1063548095 /nfs/dbraw/zinc/54/80/95/1063548095.db2.gz UMMAIEFVKRAGCH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493086698 1063548113 /nfs/dbraw/zinc/54/81/13/1063548113.db2.gz UMMAIEFVKRAGCH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493086698 1063548130 /nfs/dbraw/zinc/54/81/30/1063548130.db2.gz UMMAIEFVKRAGCH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001493850108 1063991808 /nfs/dbraw/zinc/99/18/08/1063991808.db2.gz OPXBFUULXRQLFK-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001568068495 1064630357 /nfs/dbraw/zinc/63/03/57/1064630357.db2.gz YEUJHOIMTMILLA-MRXNPFEDSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568387355 1064829513 /nfs/dbraw/zinc/82/95/13/1064829513.db2.gz VBWNNFBYKRFQSC-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568424573 1064860959 /nfs/dbraw/zinc/86/09/59/1064860959.db2.gz SOJUAPHWOQAWBL-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001568437639 1064872004 /nfs/dbraw/zinc/87/20/04/1064872004.db2.gz CEJZSOCQRPMYJO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001568437639 1064872010 /nfs/dbraw/zinc/87/20/10/1064872010.db2.gz CEJZSOCQRPMYJO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001568437639 1064872020 /nfs/dbraw/zinc/87/20/20/1064872020.db2.gz CEJZSOCQRPMYJO-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001495533337 1064968376 /nfs/dbraw/zinc/96/83/76/1064968376.db2.gz WFIRACYCXSJIPL-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001496509638 1065520885 /nfs/dbraw/zinc/52/08/85/1065520885.db2.gz VWDNTYHLOWVQRU-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466799 1065524994 /nfs/dbraw/zinc/52/49/94/1065524994.db2.gz FWLLUIMIFLFAGY-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001496782194 1065709197 /nfs/dbraw/zinc/70/91/97/1065709197.db2.gz WVDNXUUMXKCHDE-KRWDZBQOSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001569800435 1065725542 /nfs/dbraw/zinc/72/55/42/1065725542.db2.gz QGGFJOFZEJHONN-SFHVURJKSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001327300008 1148517355 /nfs/dbraw/zinc/51/73/55/1148517355.db2.gz RZSLQBXHDWPWDW-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570385044 1066042313 /nfs/dbraw/zinc/04/23/13/1066042313.db2.gz XAPIHZYBWIHOQR-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001497818083 1066345399 /nfs/dbraw/zinc/34/53/99/1066345399.db2.gz ZRAXHAOWNPKORP-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001498770664 1066877868 /nfs/dbraw/zinc/87/78/68/1066877868.db2.gz PSMUKXCCLKVNFL-IRXDYDNUSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001498900961 1066947764 /nfs/dbraw/zinc/94/77/64/1066947764.db2.gz BAYPBHYQPRLFPI-SJORKVTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001498900955 1066948373 /nfs/dbraw/zinc/94/83/73/1066948373.db2.gz BAYPBHYQPRLFPI-DLBZAZTESA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001499130754 1067111054 /nfs/dbraw/zinc/11/10/54/1067111054.db2.gz BXYOWLBVCFWTFC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107668 1078585070 /nfs/dbraw/zinc/58/50/70/1078585070.db2.gz IUVNSKCPZNOURS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267107668 1078585075 /nfs/dbraw/zinc/58/50/75/1078585075.db2.gz IUVNSKCPZNOURS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267107668 1078585078 /nfs/dbraw/zinc/58/50/78/1078585078.db2.gz IUVNSKCPZNOURS-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001283456913 1078644575 /nfs/dbraw/zinc/64/45/75/1078644575.db2.gz JMAXJSGLKVKPJJ-YESZJQIVSA-N 2 1 309.498 2.413 20 30 DEEDMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570716706 1068091325 /nfs/dbraw/zinc/09/13/25/1068091325.db2.gz YQCKXOBTJJRAQB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570716706 1068091337 /nfs/dbraw/zinc/09/13/37/1068091337.db2.gz YQCKXOBTJJRAQB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570716706 1068091349 /nfs/dbraw/zinc/09/13/49/1068091349.db2.gz YQCKXOBTJJRAQB-WBVHZDCISA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001570909988 1068157460 /nfs/dbraw/zinc/15/74/60/1068157460.db2.gz VBCYKUGGVXAPLX-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001571368286 1068253322 /nfs/dbraw/zinc/25/33/22/1068253322.db2.gz ANRQORDUMGUPOZ-MRXNPFEDSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001571469390 1068321829 /nfs/dbraw/zinc/32/18/29/1068321829.db2.gz PBTTUKMGDQCNAA-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001571469390 1068321847 /nfs/dbraw/zinc/32/18/47/1068321847.db2.gz PBTTUKMGDQCNAA-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250070 1078697631 /nfs/dbraw/zinc/69/76/31/1078697631.db2.gz DOPBNAFSSFJKTK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250070 1078697639 /nfs/dbraw/zinc/69/76/39/1078697639.db2.gz DOPBNAFSSFJKTK-MRXNPFEDSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCC[N@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001571614959 1068441487 /nfs/dbraw/zinc/44/14/87/1068441487.db2.gz AHFVHQUTTRQDJS-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267324576 1078765637 /nfs/dbraw/zinc/76/56/37/1078765637.db2.gz MCBKRNWHXHODAV-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001267324576 1078765641 /nfs/dbraw/zinc/76/56/41/1078765641.db2.gz MCBKRNWHXHODAV-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001267324576 1078765646 /nfs/dbraw/zinc/76/56/46/1078765646.db2.gz MCBKRNWHXHODAV-QGZVFWFLSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001267334867 1078773620 /nfs/dbraw/zinc/77/36/20/1078773620.db2.gz TYPPQNZPXCZPML-MSOLQXFVSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001670871840 1078838709 /nfs/dbraw/zinc/83/87/09/1078838709.db2.gz HUSOQSVLMSLBGP-HZPDHXFCSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001267419375 1078838962 /nfs/dbraw/zinc/83/89/62/1078838962.db2.gz MHCJGKNCTFUYBM-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001267512667 1078942007 /nfs/dbraw/zinc/94/20/07/1078942007.db2.gz QPJBUOGFEMJPMI-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001267512667 1078942009 /nfs/dbraw/zinc/94/20/09/1078942009.db2.gz QPJBUOGFEMJPMI-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001267512667 1078942013 /nfs/dbraw/zinc/94/20/13/1078942013.db2.gz QPJBUOGFEMJPMI-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001329342364 1148886143 /nfs/dbraw/zinc/88/61/43/1148886143.db2.gz XKIXZELOGAGCFF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481100509 1079183882 /nfs/dbraw/zinc/18/38/82/1079183882.db2.gz RXFOVPRERCTUQD-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484161194 1079336231 /nfs/dbraw/zinc/33/62/31/1079336231.db2.gz OFIQKHRNVRFZBI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001484161194 1079336239 /nfs/dbraw/zinc/33/62/39/1079336239.db2.gz OFIQKHRNVRFZBI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001484161194 1079336247 /nfs/dbraw/zinc/33/62/47/1079336247.db2.gz OFIQKHRNVRFZBI-PKOBYXMFSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267685134 1079373161 /nfs/dbraw/zinc/37/31/61/1079373161.db2.gz YYAYWHFOIFTFBW-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001566089597 1075227046 /nfs/dbraw/zinc/22/70/46/1075227046.db2.gz HSORZKXKSRGIMQ-KFWWJZLASA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001566089597 1075227048 /nfs/dbraw/zinc/22/70/48/1075227048.db2.gz HSORZKXKSRGIMQ-KFWWJZLASA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001566123878 1075232496 /nfs/dbraw/zinc/23/24/96/1075232496.db2.gz ZFKPADKDGKFIKM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566123878 1075232501 /nfs/dbraw/zinc/23/25/01/1075232501.db2.gz ZFKPADKDGKFIKM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566123878 1075232505 /nfs/dbraw/zinc/23/25/05/1075232505.db2.gz ZFKPADKDGKFIKM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001566668881 1075310755 /nfs/dbraw/zinc/31/07/55/1075310755.db2.gz DONULDRSMZJNJJ-HOTGVXAUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001566755473 1075335854 /nfs/dbraw/zinc/33/58/54/1075335854.db2.gz HUHVFHSKWNQHGC-NXOAAHMSSA-N 2 1 307.482 2.357 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001566755973 1075336713 /nfs/dbraw/zinc/33/67/13/1075336713.db2.gz YCZCVGCPZPLSGE-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001566755973 1075336716 /nfs/dbraw/zinc/33/67/16/1075336716.db2.gz YCZCVGCPZPLSGE-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001566755973 1075336720 /nfs/dbraw/zinc/33/67/20/1075336720.db2.gz YCZCVGCPZPLSGE-XDNAFOTISA-N 2 1 319.493 2.358 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001566878165 1075371336 /nfs/dbraw/zinc/37/13/36/1075371336.db2.gz NBSVGMBQECXAMI-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001567240910 1075470981 /nfs/dbraw/zinc/47/09/81/1075470981.db2.gz RPPIMMHGWNAWLX-DOTOQJQBSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001267930739 1079612013 /nfs/dbraw/zinc/61/20/13/1079612013.db2.gz OWOXCGXZBHEJFK-RBSFLKMASA-N 2 1 304.438 2.181 20 30 DEEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268001150 1079683633 /nfs/dbraw/zinc/68/36/33/1079683633.db2.gz WVHIJTHRCXYTGO-SJLPKXTDSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001484937547 1079868051 /nfs/dbraw/zinc/86/80/51/1079868051.db2.gz PFOMTHZYMJYORZ-IAGOWNOFSA-N 2 1 321.509 2.347 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001484982734 1079896174 /nfs/dbraw/zinc/89/61/74/1079896174.db2.gz TVNZQWLLKAJMHF-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]1C ZINC001484982734 1079896178 /nfs/dbraw/zinc/89/61/78/1079896178.db2.gz TVNZQWLLKAJMHF-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C[C@H]1C ZINC001484982734 1079896181 /nfs/dbraw/zinc/89/61/81/1079896181.db2.gz TVNZQWLLKAJMHF-MSOLQXFVSA-N 2 1 321.509 2.491 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481461832 1079907019 /nfs/dbraw/zinc/90/70/19/1079907019.db2.gz JOUIVLCTANNQNS-QGZVFWFLSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481493404 1079950258 /nfs/dbraw/zinc/95/02/58/1079950258.db2.gz YDSOXMOPYMTNJL-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001481504021 1079964320 /nfs/dbraw/zinc/96/43/20/1079964320.db2.gz KFYDAKWQWJCWKU-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481504021 1079964323 /nfs/dbraw/zinc/96/43/23/1079964323.db2.gz KFYDAKWQWJCWKU-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481504021 1079964327 /nfs/dbraw/zinc/96/43/27/1079964327.db2.gz KFYDAKWQWJCWKU-IRXDYDNUSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001481528874 1080005315 /nfs/dbraw/zinc/00/53/15/1080005315.db2.gz QAWOMDIXLRSYCL-HZPDHXFCSA-N 2 1 304.438 2.381 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001268097856 1080070613 /nfs/dbraw/zinc/07/06/13/1080070613.db2.gz LRADQJOUBFNIAB-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268097856 1080070623 /nfs/dbraw/zinc/07/06/23/1080070623.db2.gz LRADQJOUBFNIAB-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485231848 1080078107 /nfs/dbraw/zinc/07/81/07/1080078107.db2.gz LDGNIHCCVYJJOZ-HUUCEWRRSA-N 2 1 323.868 2.354 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485231848 1080078117 /nfs/dbraw/zinc/07/81/17/1080078117.db2.gz LDGNIHCCVYJJOZ-HUUCEWRRSA-N 2 1 323.868 2.354 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC001268120236 1080088901 /nfs/dbraw/zinc/08/89/01/1080088901.db2.gz MSGLESWXOUZXRT-OKZBNKHCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833435 1080127373 /nfs/dbraw/zinc/12/73/73/1080127373.db2.gz QNOPBNMURYOUQD-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833435 1080127377 /nfs/dbraw/zinc/12/73/77/1080127377.db2.gz QNOPBNMURYOUQD-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001656833435 1080127381 /nfs/dbraw/zinc/12/73/81/1080127381.db2.gz QNOPBNMURYOUQD-SJORKVTESA-N 2 1 321.509 2.321 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001268193313 1080179508 /nfs/dbraw/zinc/17/95/08/1080179508.db2.gz JWJLQNBIAPAZPV-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268193313 1080179511 /nfs/dbraw/zinc/17/95/11/1080179511.db2.gz JWJLQNBIAPAZPV-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268193313 1080179512 /nfs/dbraw/zinc/17/95/12/1080179512.db2.gz JWJLQNBIAPAZPV-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001268216586 1080201532 /nfs/dbraw/zinc/20/15/32/1080201532.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001268216586 1080201542 /nfs/dbraw/zinc/20/15/42/1080201542.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001268216586 1080201554 /nfs/dbraw/zinc/20/15/54/1080201554.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001268216586 1080201565 /nfs/dbraw/zinc/20/15/65/1080201565.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001268216586 1080201575 /nfs/dbraw/zinc/20/15/75/1080201575.db2.gz KPELOWAEKKDABF-ULQDDVLXSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001268221496 1080205905 /nfs/dbraw/zinc/20/59/05/1080205905.db2.gz CTKZTKUSBANJCY-IRXDYDNUSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001485585256 1080315320 /nfs/dbraw/zinc/31/53/20/1080315320.db2.gz KSBJQQHSYUQUPV-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485664997 1080354286 /nfs/dbraw/zinc/35/42/86/1080354286.db2.gz VCWQPRLNWZEOOI-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661034386 1080431878 /nfs/dbraw/zinc/43/18/78/1080431878.db2.gz DXDBCDLQVHCHFK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661034386 1080431880 /nfs/dbraw/zinc/43/18/80/1080431880.db2.gz DXDBCDLQVHCHFK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034386 1080431882 /nfs/dbraw/zinc/43/18/82/1080431882.db2.gz DXDBCDLQVHCHFK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661034386 1080431884 /nfs/dbraw/zinc/43/18/84/1080431884.db2.gz DXDBCDLQVHCHFK-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001661613904 1080499439 /nfs/dbraw/zinc/49/94/39/1080499439.db2.gz BFFVDKDLCZLRPS-TWMKSMIVSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783535 1080503234 /nfs/dbraw/zinc/50/32/34/1080503234.db2.gz WYYAOXHALAJCTG-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783535 1080503240 /nfs/dbraw/zinc/50/32/40/1080503240.db2.gz WYYAOXHALAJCTG-NVXWUHKLSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001662108194 1080570049 /nfs/dbraw/zinc/57/00/49/1080570049.db2.gz AFKHLXOVXOLUSI-OFLPRAFFSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001662691167 1080635601 /nfs/dbraw/zinc/63/56/01/1080635601.db2.gz REVOIOSWBAEGJR-INIZCTEOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001482051673 1080752433 /nfs/dbraw/zinc/75/24/33/1080752433.db2.gz KQWAEUKMBXZSJW-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663931529 1080838396 /nfs/dbraw/zinc/83/83/96/1080838396.db2.gz LVAOLDVFPPTDEW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001664673206 1080939648 /nfs/dbraw/zinc/93/96/48/1080939648.db2.gz HOOGCELDCCXBLV-HNNXBMFYSA-N 2 1 310.401 2.123 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268964947 1081061462 /nfs/dbraw/zinc/06/14/62/1081061462.db2.gz HSIFBSMJWXZWBS-LTIDMASMSA-N 2 1 307.482 2.212 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1C ZINC001268973799 1081070153 /nfs/dbraw/zinc/07/01/53/1081070153.db2.gz DDMKVYUYFXTQLU-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1C ZINC001268973799 1081070157 /nfs/dbraw/zinc/07/01/57/1081070157.db2.gz DDMKVYUYFXTQLU-IRXDYDNUSA-N 2 1 316.449 2.223 20 30 DEEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001665833224 1081088386 /nfs/dbraw/zinc/08/83/86/1081088386.db2.gz FHYSXDHKKCDWFS-AEFFLSMTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269025891 1081089613 /nfs/dbraw/zinc/08/96/13/1081089613.db2.gz KDOYKOPEUBESJD-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001666379683 1081148627 /nfs/dbraw/zinc/14/86/27/1081148627.db2.gz USTOGWORUTXTCR-MRXNPFEDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001666838863 1081184754 /nfs/dbraw/zinc/18/47/54/1081184754.db2.gz WDNMXDUVPLAGLE-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001667426616 1081250355 /nfs/dbraw/zinc/25/03/55/1081250355.db2.gz RTTOKGWZLIYOID-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001667738622 1081283037 /nfs/dbraw/zinc/28/30/37/1081283037.db2.gz OANMMDBMCOPWSU-HZPDHXFCSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001482237929 1081333435 /nfs/dbraw/zinc/33/34/35/1081333435.db2.gz AEWQONHGNLFGJI-UHFFFAOYSA-N 2 1 301.862 2.098 20 30 DEEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H](C)C1 ZINC001269971356 1081412959 /nfs/dbraw/zinc/41/29/59/1081412959.db2.gz GNQOZNMPLDVGEL-ROUUACIJSA-N 2 1 321.509 2.491 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001671842793 1081542878 /nfs/dbraw/zinc/54/28/78/1081542878.db2.gz NVRWCWLGSJJKKF-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001672388596 1081592142 /nfs/dbraw/zinc/59/21/42/1081592142.db2.gz MAEKATIRYOMPBR-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001672434296 1081599418 /nfs/dbraw/zinc/59/94/18/1081599418.db2.gz XIOPECWFQJVQTM-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001672911154 1081721028 /nfs/dbraw/zinc/72/10/28/1081721028.db2.gz QLDMAQOCLSGJFO-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC001673242151 1081748558 /nfs/dbraw/zinc/74/85/58/1081748558.db2.gz QSTKIOHKJBPMDB-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001673650572 1081789172 /nfs/dbraw/zinc/78/91/72/1081789172.db2.gz LATMBMHNWKKZHQ-IBGZPJMESA-N 2 1 319.493 2.363 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001482406143 1081797597 /nfs/dbraw/zinc/79/75/97/1081797597.db2.gz NYSVQHQOPFFFIF-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001674154778 1081849459 /nfs/dbraw/zinc/84/94/59/1081849459.db2.gz MJVVRWWUGZADND-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001674457810 1081874915 /nfs/dbraw/zinc/87/49/15/1081874915.db2.gz NRHVNKVLMAAJQK-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)CC(C)C ZINC001271270916 1082002904 /nfs/dbraw/zinc/00/29/04/1082002904.db2.gz WAPWRPPSLCXYEQ-ROUUACIJSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)CC(C)C ZINC001271270916 1082002908 /nfs/dbraw/zinc/00/29/08/1082002908.db2.gz WAPWRPPSLCXYEQ-ROUUACIJSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373448 1082005955 /nfs/dbraw/zinc/00/59/55/1082005955.db2.gz DHNABZXSZIRXDM-QGZVFWFLSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001271749565 1082145482 /nfs/dbraw/zinc/14/54/82/1082145482.db2.gz GRVDAWKMVBISQV-BCDXTJNWSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001271771932 1082151096 /nfs/dbraw/zinc/15/10/96/1082151096.db2.gz DBLXVKPHYUGXQK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001271771932 1082151101 /nfs/dbraw/zinc/15/11/01/1082151101.db2.gz DBLXVKPHYUGXQK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001271771932 1082151103 /nfs/dbraw/zinc/15/11/03/1082151103.db2.gz DBLXVKPHYUGXQK-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001266662255 1082257652 /nfs/dbraw/zinc/25/76/52/1082257652.db2.gz DEKUVTIYBDAFSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662255 1082257660 /nfs/dbraw/zinc/25/76/60/1082257660.db2.gz DEKUVTIYBDAFSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001266662255 1082257670 /nfs/dbraw/zinc/25/76/70/1082257670.db2.gz DEKUVTIYBDAFSK-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266766644 1082330466 /nfs/dbraw/zinc/33/04/66/1082330466.db2.gz IADUIVYDROQCTG-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266868005 1082414530 /nfs/dbraw/zinc/41/45/30/1082414530.db2.gz RTBLFPJTUPMSTN-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661285 1082441376 /nfs/dbraw/zinc/44/13/76/1082441376.db2.gz DFHLAWRXTZOFIV-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661285 1082441382 /nfs/dbraw/zinc/44/13/82/1082441382.db2.gz DFHLAWRXTZOFIV-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001482661285 1082441385 /nfs/dbraw/zinc/44/13/85/1082441385.db2.gz DFHLAWRXTZOFIV-IAGOWNOFSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001409767627 1083047578 /nfs/dbraw/zinc/04/75/78/1083047578.db2.gz HVXXWDMTFGSBJP-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609239 1083514748 /nfs/dbraw/zinc/51/47/48/1083514748.db2.gz KFFUHQOIKNTSCA-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609239 1083514759 /nfs/dbraw/zinc/51/47/59/1083514759.db2.gz KFFUHQOIKNTSCA-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609239 1083514767 /nfs/dbraw/zinc/51/47/67/1083514767.db2.gz KFFUHQOIKNTSCA-YQVWRLOYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001277490910 1084001031 /nfs/dbraw/zinc/00/10/31/1084001031.db2.gz ZUTAKZMJNWPKBJ-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001277577102 1084042782 /nfs/dbraw/zinc/04/27/82/1084042782.db2.gz PTQTXRAOUGAHHC-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC1CCC1)C(C)C ZINC001277577102 1084042791 /nfs/dbraw/zinc/04/27/91/1084042791.db2.gz PTQTXRAOUGAHHC-MSOLQXFVSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001491225818 1084167942 /nfs/dbraw/zinc/16/79/42/1084167942.db2.gz JCSNWLUXXYHYGK-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001491338221 1084240977 /nfs/dbraw/zinc/24/09/77/1084240977.db2.gz RNDIEIGXZYXVRK-QXDIGNSFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001491338221 1084240989 /nfs/dbraw/zinc/24/09/89/1084240989.db2.gz RNDIEIGXZYXVRK-QXDIGNSFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001491338221 1084240999 /nfs/dbraw/zinc/24/09/99/1084240999.db2.gz RNDIEIGXZYXVRK-QXDIGNSFSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235259907 1084362956 /nfs/dbraw/zinc/36/29/56/1084362956.db2.gz DLDAZCVHTZQLPE-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001235259907 1084362970 /nfs/dbraw/zinc/36/29/70/1084362970.db2.gz DLDAZCVHTZQLPE-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001235259907 1084362983 /nfs/dbraw/zinc/36/29/83/1084362983.db2.gz DLDAZCVHTZQLPE-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP Cn1cc(C[NH+]2CC3(C2)CC[NH+](CCCC#N)CC3)cc1C#N ZINC001277943564 1084423445 /nfs/dbraw/zinc/42/34/45/1084423445.db2.gz YWIAIRKQFZRRPN-UHFFFAOYSA-N 2 1 311.433 2.098 20 30 DEEDMP N#CCCCC[N@H+]1CCC[C@]2(CCN(Cc3cn[nH]c3)C2)C1 ZINC001277948356 1084443931 /nfs/dbraw/zinc/44/39/31/1084443931.db2.gz HUHQRZOIRXUNMY-KRWDZBQOSA-N 2 1 301.438 2.391 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001486175674 1085105292 /nfs/dbraw/zinc/10/52/92/1085105292.db2.gz GDRDXKXDAYCQJG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001486175674 1085105296 /nfs/dbraw/zinc/10/52/96/1085105296.db2.gz GDRDXKXDAYCQJG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001486175674 1085105301 /nfs/dbraw/zinc/10/53/01/1085105301.db2.gz GDRDXKXDAYCQJG-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964166461 1085170300 /nfs/dbraw/zinc/17/03/00/1085170300.db2.gz IOKJWBFCJJAXHZ-APUKJBRXSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000960329039 1085199652 /nfs/dbraw/zinc/19/96/52/1085199652.db2.gz HZQNFBGAHJHJDS-IEBWSBKVSA-N 2 1 324.428 2.139 20 30 DEEDMP C=C(C)CN1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038872 1086064428 /nfs/dbraw/zinc/06/44/28/1086064428.db2.gz JUYKQRXJDNKYOR-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273039766 1086065250 /nfs/dbraw/zinc/06/52/50/1086065250.db2.gz UZNPPUKQVJQHDC-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315807 1086405285 /nfs/dbraw/zinc/40/52/85/1086405285.db2.gz YZGDYAKXSRPJNM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315807 1086405290 /nfs/dbraw/zinc/40/52/90/1086405290.db2.gz YZGDYAKXSRPJNM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315807 1086405292 /nfs/dbraw/zinc/40/52/92/1086405292.db2.gz YZGDYAKXSRPJNM-WMZOPIPTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417582 1086448397 /nfs/dbraw/zinc/44/83/97/1086448397.db2.gz NXTXQIBUGDEVFH-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416437 1086448504 /nfs/dbraw/zinc/44/85/04/1086448504.db2.gz LHQQKCRSYZSGBH-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001114724944 1088295193 /nfs/dbraw/zinc/29/51/93/1088295193.db2.gz WAFZVPPJIJGIAU-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114724944 1088295204 /nfs/dbraw/zinc/29/52/04/1088295204.db2.gz WAFZVPPJIJGIAU-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114724944 1088295214 /nfs/dbraw/zinc/29/52/14/1088295214.db2.gz WAFZVPPJIJGIAU-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552363 1088402183 /nfs/dbraw/zinc/40/21/83/1088402183.db2.gz MAWUXOPXPYRRJE-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114832038 1088920474 /nfs/dbraw/zinc/92/04/74/1088920474.db2.gz KNXVXFPECLSOJU-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832038 1088920494 /nfs/dbraw/zinc/92/04/94/1088920494.db2.gz KNXVXFPECLSOJU-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832038 1088920511 /nfs/dbraw/zinc/92/05/11/1088920511.db2.gz KNXVXFPECLSOJU-IMBTUZDBSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558629 1090006625 /nfs/dbraw/zinc/00/66/25/1090006625.db2.gz ZUSMIWFIOPHVOR-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405317 1090291286 /nfs/dbraw/zinc/29/12/86/1090291286.db2.gz HTOMFWRPHAKZQO-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405317 1090291291 /nfs/dbraw/zinc/29/12/91/1090291291.db2.gz HTOMFWRPHAKZQO-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405317 1090291295 /nfs/dbraw/zinc/29/12/95/1090291295.db2.gz HTOMFWRPHAKZQO-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972349 1090555215 /nfs/dbraw/zinc/55/52/15/1090555215.db2.gz XURXAELAOXKWSL-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972349 1090555219 /nfs/dbraw/zinc/55/52/19/1090555219.db2.gz XURXAELAOXKWSL-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972349 1090555222 /nfs/dbraw/zinc/55/52/22/1090555222.db2.gz XURXAELAOXKWSL-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001410499575 1091017264 /nfs/dbraw/zinc/01/72/64/1091017264.db2.gz FUVHPTFCOILFFE-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001276213398 1091707420 /nfs/dbraw/zinc/70/74/20/1091707420.db2.gz PWPHZMBUNSIPQO-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001275599710 1091901939 /nfs/dbraw/zinc/90/19/39/1091901939.db2.gz JUDMYFGESWFKAX-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(C#N)c1 ZINC001275616739 1091914023 /nfs/dbraw/zinc/91/40/23/1091914023.db2.gz NDPVUIAQXUCRFV-OALUTQOASA-N 2 1 312.461 2.077 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H](N(C)C(=O)Cc2cnc[nH]2)CC1 ZINC000948812140 1091951351 /nfs/dbraw/zinc/95/13/51/1091951351.db2.gz HFRISRRFUXLADJ-CQSZACIVSA-N 2 1 310.829 2.018 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833189 1091962100 /nfs/dbraw/zinc/96/21/00/1091962100.db2.gz LSOYAFHCVIPALK-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886425 1091981023 /nfs/dbraw/zinc/98/10/23/1091981023.db2.gz NXVVTVBDJRRYTH-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001275690998 1092005495 /nfs/dbraw/zinc/00/54/95/1092005495.db2.gz CHUDAWLHVHGUFF-UHFFFAOYSA-N 2 1 306.454 2.232 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273839635 1092303233 /nfs/dbraw/zinc/30/32/33/1092303233.db2.gz BANREALOLUSYCO-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001488699176 1092688559 /nfs/dbraw/zinc/68/85/59/1092688559.db2.gz OEPOIDNRIPXLKI-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490447885 1093363237 /nfs/dbraw/zinc/36/32/37/1093363237.db2.gz JWBYOVNJQHVDHS-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001490549225 1093405137 /nfs/dbraw/zinc/40/51/37/1093405137.db2.gz CRLGJIWHNYRAFO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001490549225 1093405145 /nfs/dbraw/zinc/40/51/45/1093405145.db2.gz CRLGJIWHNYRAFO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490549225 1093405148 /nfs/dbraw/zinc/40/51/48/1093405148.db2.gz CRLGJIWHNYRAFO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490549225 1093405151 /nfs/dbraw/zinc/40/51/51/1093405151.db2.gz CRLGJIWHNYRAFO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278253608 1138859500 /nfs/dbraw/zinc/85/95/00/1138859500.db2.gz XFBZFUJFOPBNCM-IAGOWNOFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316661050 1139834851 /nfs/dbraw/zinc/83/48/51/1139834851.db2.gz ZEKWZTKXUHKHME-YESZJQIVSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281974664 1139835104 /nfs/dbraw/zinc/83/51/04/1139835104.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974664 1139835106 /nfs/dbraw/zinc/83/51/06/1139835106.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281974664 1139835108 /nfs/dbraw/zinc/83/51/08/1139835108.db2.gz GKJPHYYOIJTEOG-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001316661890 1139850137 /nfs/dbraw/zinc/85/01/37/1139850137.db2.gz BZVLSDGOSYZVGH-KSZLIROESA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001318445126 1140331868 /nfs/dbraw/zinc/33/18/68/1140331868.db2.gz KBAVAHXQYOYARC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318446186 1140333727 /nfs/dbraw/zinc/33/37/27/1140333727.db2.gz TYUMLAXDFMLKAI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318446186 1140333737 /nfs/dbraw/zinc/33/37/37/1140333737.db2.gz TYUMLAXDFMLKAI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318446186 1140333750 /nfs/dbraw/zinc/33/37/50/1140333750.db2.gz TYUMLAXDFMLKAI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001319370543 1140557298 /nfs/dbraw/zinc/55/72/98/1140557298.db2.gz XOXHBPJBYZKQFP-JKSUJKDBSA-N 2 1 307.482 2.454 20 30 DEEDMP N#Cc1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246441924 1140899328 /nfs/dbraw/zinc/89/93/28/1140899328.db2.gz LHHCEWFCKRSYEL-IYARVYRRSA-N 3 1 312.461 2.382 20 30 DEEDMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001321211536 1141085981 /nfs/dbraw/zinc/08/59/81/1141085981.db2.gz ZZPIGMKLDYYHBZ-DKRLNXSXSA-N 2 1 305.466 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001321652276 1141322104 /nfs/dbraw/zinc/32/21/04/1141322104.db2.gz GKMYCUWHIGJBIV-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP N#Cc1ccc(F)c(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)c1 ZINC001248895736 1141831766 /nfs/dbraw/zinc/83/17/66/1141831766.db2.gz IAFAXAYSDHZGDQ-CQSZACIVSA-N 2 1 315.352 2.137 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001323480123 1141857423 /nfs/dbraw/zinc/85/74/23/1141857423.db2.gz QMKWLCIEDGXYHJ-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001324620143 1142157287 /nfs/dbraw/zinc/15/72/87/1142157287.db2.gz PYOPYHIPYXXDTB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324620143 1142157315 /nfs/dbraw/zinc/15/73/15/1142157315.db2.gz PYOPYHIPYXXDTB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001324620143 1142157357 /nfs/dbraw/zinc/15/73/57/1142157357.db2.gz PYOPYHIPYXXDTB-WMZOPIPTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001324620137 1142158492 /nfs/dbraw/zinc/15/84/92/1142158492.db2.gz PYOPYHIPYXXDTB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324620137 1142158498 /nfs/dbraw/zinc/15/84/98/1142158498.db2.gz PYOPYHIPYXXDTB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001324620137 1142158507 /nfs/dbraw/zinc/15/85/07/1142158507.db2.gz PYOPYHIPYXXDTB-AEFFLSMTSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278571267 1142211401 /nfs/dbraw/zinc/21/14/01/1142211401.db2.gz DISGIIOWCAXXPW-AEFFLSMTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252559789 1142765990 /nfs/dbraw/zinc/76/59/90/1142765990.db2.gz LNQGNIBGZRCFMT-IBGZPJMESA-N 2 1 300.446 2.446 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252559789 1142765995 /nfs/dbraw/zinc/76/59/95/1142765995.db2.gz LNQGNIBGZRCFMT-IBGZPJMESA-N 2 1 300.446 2.446 20 30 DEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766353 /nfs/dbraw/zinc/76/63/53/1142766353.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766360 /nfs/dbraw/zinc/76/63/60/1142766360.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252559300 1142766363 /nfs/dbraw/zinc/76/63/63/1142766363.db2.gz VFBMYSSRKGEMQX-QRVBRYPASA-N 2 1 300.446 2.377 20 30 DEEDMP C=CCO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001337649026 1142780459 /nfs/dbraw/zinc/78/04/59/1142780459.db2.gz HQZJIVNGPDPGTN-NNZMDNLPSA-N 2 1 308.466 2.176 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@H+](C)CC3)C2)CC1 ZINC001254516751 1143176947 /nfs/dbraw/zinc/17/69/47/1143176947.db2.gz OPCXOSQQPAMTFI-INIZCTEOSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC001340242724 1143307671 /nfs/dbraw/zinc/30/76/71/1143307671.db2.gz WYXRFPXQQIINFH-MRXNPFEDSA-N 2 1 307.413 2.057 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001341731501 1143687086 /nfs/dbraw/zinc/68/70/86/1143687086.db2.gz BVSVBUHUBWNTQR-SZMVWBNQSA-N 2 1 315.461 2.307 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001263863773 1144415949 /nfs/dbraw/zinc/41/59/49/1144415949.db2.gz DGWFPIAFKDCXHZ-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001263900711 1144421583 /nfs/dbraw/zinc/42/15/83/1144421583.db2.gz QWCMTANGPCFNQB-GVDBMIGSSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462295 /nfs/dbraw/zinc/46/22/95/1144462295.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462302 /nfs/dbraw/zinc/46/23/02/1144462302.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001264096510 1144462321 /nfs/dbraw/zinc/46/23/21/1144462321.db2.gz MKTBTMRGRJWUKW-KSZLIROESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001264741980 1144603730 /nfs/dbraw/zinc/60/37/30/1144603730.db2.gz YAIYIWTYPAVPQN-INIZCTEOSA-N 2 1 318.465 2.242 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001265200651 1144665160 /nfs/dbraw/zinc/66/51/60/1144665160.db2.gz WAFKLLHKZSQRED-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265228622 1144672984 /nfs/dbraw/zinc/67/29/84/1144672984.db2.gz GAWJMHROOVIIML-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001265235790 1144674394 /nfs/dbraw/zinc/67/43/94/1144674394.db2.gz WDQQXTQQIWKBAW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001265235790 1144674400 /nfs/dbraw/zinc/67/44/00/1144674400.db2.gz WDQQXTQQIWKBAW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001265235790 1144674403 /nfs/dbraw/zinc/67/44/03/1144674403.db2.gz WDQQXTQQIWKBAW-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265395262 1144701929 /nfs/dbraw/zinc/70/19/29/1144701929.db2.gz SBMKZPLIYRMWFK-QGZVFWFLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001265397256 1144702080 /nfs/dbraw/zinc/70/20/80/1144702080.db2.gz VCLMPGHBSVJTOW-HNNXBMFYSA-N 2 1 304.438 2.089 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586559 1144715435 /nfs/dbraw/zinc/71/54/35/1144715435.db2.gz JQLDKNQILLUVSW-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586559 1144715438 /nfs/dbraw/zinc/71/54/38/1144715438.db2.gz JQLDKNQILLUVSW-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265656105 1144723838 /nfs/dbraw/zinc/72/38/38/1144723838.db2.gz WKPHSAOHMDBCCR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656105 1144723840 /nfs/dbraw/zinc/72/38/40/1144723840.db2.gz WKPHSAOHMDBCCR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265656105 1144723842 /nfs/dbraw/zinc/72/38/42/1144723842.db2.gz WKPHSAOHMDBCCR-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001279273737 1144819946 /nfs/dbraw/zinc/81/99/46/1144819946.db2.gz VNAAEKPCLUEKJM-BZSNNMDCSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001279367989 1144821384 /nfs/dbraw/zinc/82/13/84/1144821384.db2.gz DDYTZCVDVYJHTL-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281683058 1144907858 /nfs/dbraw/zinc/90/78/58/1144907858.db2.gz MIWPDTXBEBANDB-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281956705 1144923806 /nfs/dbraw/zinc/92/38/06/1144923806.db2.gz JSYWTORFHWTVTE-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819701 1145170562 /nfs/dbraw/zinc/17/05/62/1145170562.db2.gz DPWMNJOHDALGFL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819701 1145170571 /nfs/dbraw/zinc/17/05/71/1145170571.db2.gz DPWMNJOHDALGFL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC001282819701 1145170577 /nfs/dbraw/zinc/17/05/77/1145170577.db2.gz DPWMNJOHDALGFL-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001282959591 1145214361 /nfs/dbraw/zinc/21/43/61/1145214361.db2.gz VOFTVHOBWCIRJD-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001282959591 1145214366 /nfs/dbraw/zinc/21/43/66/1145214366.db2.gz VOFTVHOBWCIRJD-YESZJQIVSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947601 1147637205 /nfs/dbraw/zinc/63/72/05/1147637205.db2.gz NSQUCYWERJUHFI-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316947601 1147637207 /nfs/dbraw/zinc/63/72/07/1147637207.db2.gz NSQUCYWERJUHFI-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099376 1147659348 /nfs/dbraw/zinc/65/93/48/1147659348.db2.gz CBDOBWKKZXXHSL-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317138688 1147665136 /nfs/dbraw/zinc/66/51/36/1147665136.db2.gz VBGBKNFIAMHYEK-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317205865 1147676535 /nfs/dbraw/zinc/67/65/35/1147676535.db2.gz FSLZUIFFZPPGRF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205865 1147676537 /nfs/dbraw/zinc/67/65/37/1147676537.db2.gz FSLZUIFFZPPGRF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205865 1147676538 /nfs/dbraw/zinc/67/65/38/1147676538.db2.gz FSLZUIFFZPPGRF-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317345439 1147693741 /nfs/dbraw/zinc/69/37/41/1147693741.db2.gz ALEUQFXGLXNPOG-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317534310 1147721880 /nfs/dbraw/zinc/72/18/80/1147721880.db2.gz ARVCCRJOMDZVJN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317534310 1147721881 /nfs/dbraw/zinc/72/18/81/1147721881.db2.gz ARVCCRJOMDZVJN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317534310 1147721882 /nfs/dbraw/zinc/72/18/82/1147721882.db2.gz ARVCCRJOMDZVJN-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001367730604 1147734322 /nfs/dbraw/zinc/73/43/22/1147734322.db2.gz CFUULZMDKAMZOY-STQMWFEESA-N 2 1 312.845 2.243 20 30 DEEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001317685181 1147743962 /nfs/dbraw/zinc/74/39/62/1147743962.db2.gz FYADOOGLCHEAIP-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317852829 1147757812 /nfs/dbraw/zinc/75/78/12/1147757812.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317852829 1147757814 /nfs/dbraw/zinc/75/78/14/1147757814.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317852829 1147757816 /nfs/dbraw/zinc/75/78/16/1147757816.db2.gz INRAPQLFXRALPG-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001318025142 1147766230 /nfs/dbraw/zinc/76/62/30/1147766230.db2.gz UATDMDARYWMKAZ-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318233196 1147802220 /nfs/dbraw/zinc/80/22/20/1147802220.db2.gz SJMUCGWZESKBRF-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325897212 1148015659 /nfs/dbraw/zinc/01/56/59/1148015659.db2.gz JQUIZCJRHYMEGV-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326271755 1148066935 /nfs/dbraw/zinc/06/69/35/1148066935.db2.gz CDKQCJGXQJRWCG-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001368101041 1148226332 /nfs/dbraw/zinc/22/63/32/1148226332.db2.gz DVXFVDOUPODUPZ-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP CNC(NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)=[NH+]C ZINC000264077272 529836544 /nfs/dbraw/zinc/83/65/44/529836544.db2.gz GFICCNBEFMJKSK-GASCZTMLSA-N 2 1 302.466 2.459 20 30 DEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360285 530052191 /nfs/dbraw/zinc/05/21/91/530052191.db2.gz XYYUTGRLOUZIKN-SJORKVTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360285 530052192 /nfs/dbraw/zinc/05/21/92/530052192.db2.gz XYYUTGRLOUZIKN-SJORKVTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360285 530052193 /nfs/dbraw/zinc/05/21/93/530052193.db2.gz XYYUTGRLOUZIKN-SJORKVTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292360285 530052194 /nfs/dbraw/zinc/05/21/94/530052194.db2.gz XYYUTGRLOUZIKN-SJORKVTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360282 530053008 /nfs/dbraw/zinc/05/30/08/530053008.db2.gz XYYUTGRLOUZIKN-DLBZAZTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360282 530053009 /nfs/dbraw/zinc/05/30/09/530053009.db2.gz XYYUTGRLOUZIKN-DLBZAZTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360282 530053010 /nfs/dbraw/zinc/05/30/10/530053010.db2.gz XYYUTGRLOUZIKN-DLBZAZTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360282 530053011 /nfs/dbraw/zinc/05/30/11/530053011.db2.gz XYYUTGRLOUZIKN-DLBZAZTESA-N 2 1 314.433 2.281 20 30 DEEDMP C[C@@H](C[NH+](C)C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286900679 219215977 /nfs/dbraw/zinc/21/59/77/219215977.db2.gz DONBGMXEVWMEPM-HNNXBMFYSA-N 2 1 300.450 2.062 20 30 DEEDMP C=C(CC)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000579247627 356946420 /nfs/dbraw/zinc/94/64/20/356946420.db2.gz UWFDDIXMUMAGLE-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000180995474 199238797 /nfs/dbraw/zinc/23/87/97/199238797.db2.gz ULOHGFZTYIUNGU-MRXNPFEDSA-N 2 1 311.385 2.008 20 30 DEEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000180995474 199238799 /nfs/dbraw/zinc/23/87/99/199238799.db2.gz ULOHGFZTYIUNGU-MRXNPFEDSA-N 2 1 311.385 2.008 20 30 DEEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588675 359251477 /nfs/dbraw/zinc/25/14/77/359251477.db2.gz NBVANPMQQYOGDK-CVEARBPZSA-N 2 1 316.449 2.425 20 30 DEEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598588675 359251481 /nfs/dbraw/zinc/25/14/81/359251481.db2.gz NBVANPMQQYOGDK-CVEARBPZSA-N 2 1 316.449 2.425 20 30 DEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533775 197120698 /nfs/dbraw/zinc/12/06/98/197120698.db2.gz DUVOQICUCXPGBK-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533775 197120700 /nfs/dbraw/zinc/12/07/00/197120700.db2.gz DUVOQICUCXPGBK-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533775 197120701 /nfs/dbraw/zinc/12/07/01/197120701.db2.gz DUVOQICUCXPGBK-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156533775 197120703 /nfs/dbraw/zinc/12/07/03/197120703.db2.gz DUVOQICUCXPGBK-MSOLQXFVSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000289384994 285281668 /nfs/dbraw/zinc/28/16/68/285281668.db2.gz CZUICOKHMSCZEO-IBGZPJMESA-N 2 1 314.477 2.406 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000111495929 401717075 /nfs/dbraw/zinc/71/70/75/401717075.db2.gz YIDXNIRKKKIGNR-QGZVFWFLSA-N 2 1 322.497 2.201 20 30 DEEDMP CN(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134548961 401905942 /nfs/dbraw/zinc/90/59/42/401905942.db2.gz MYSJQDHVHILSFD-FZMZJTMJSA-N 2 1 312.820 2.348 20 30 DEEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000119642529 401962191 /nfs/dbraw/zinc/96/21/91/401962191.db2.gz VJPBEEOHBIHFFV-UHFFFAOYSA-N 2 1 300.450 2.066 20 30 DEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000097465628 402125636 /nfs/dbraw/zinc/12/56/36/402125636.db2.gz IXFWIFKKFVLSSK-KRWDZBQOSA-N 2 1 300.450 2.468 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(Cl)c1 ZINC000153393337 402142261 /nfs/dbraw/zinc/14/22/61/402142261.db2.gz GTRIQELOUUHRJN-CYBMUJFWSA-N 2 1 324.856 2.237 20 30 DEEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000104180782 402199666 /nfs/dbraw/zinc/19/96/66/402199666.db2.gz RLWQHPYEYAXVLD-CQSZACIVSA-N 2 1 308.495 2.439 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158719923 402310544 /nfs/dbraw/zinc/31/05/44/402310544.db2.gz CVPUBASYSCRNPF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158719923 402310547 /nfs/dbraw/zinc/31/05/47/402310547.db2.gz CVPUBASYSCRNPF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158719923 402310549 /nfs/dbraw/zinc/31/05/49/402310549.db2.gz CVPUBASYSCRNPF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158719923 402310551 /nfs/dbraw/zinc/31/05/51/402310551.db2.gz CVPUBASYSCRNPF-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1csc(C[NH3+])n1)C(C)C ZINC000178706795 402528797 /nfs/dbraw/zinc/52/87/97/402528797.db2.gz APMAZAGCLPUVFC-AWEZNQCLSA-N 2 1 322.478 2.030 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247939642 402578667 /nfs/dbraw/zinc/57/86/67/402578667.db2.gz CVPUBASYSCRNPF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247939642 402578670 /nfs/dbraw/zinc/57/86/70/402578670.db2.gz CVPUBASYSCRNPF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247939642 402578671 /nfs/dbraw/zinc/57/86/71/402578671.db2.gz CVPUBASYSCRNPF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247939642 402578673 /nfs/dbraw/zinc/57/86/73/402578673.db2.gz CVPUBASYSCRNPF-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)N1 ZINC000262639648 402728686 /nfs/dbraw/zinc/72/86/86/402728686.db2.gz HNQYFNZPQIZIGS-LSDHHAIUSA-N 2 1 300.450 2.498 20 30 DEEDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278352995 402863813 /nfs/dbraw/zinc/86/38/13/402863813.db2.gz ZIGIJSFUFFKLML-SFHVURJKSA-N 2 1 301.434 2.446 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000281818709 403095019 /nfs/dbraw/zinc/09/50/19/403095019.db2.gz QWQGIIDVVWSLRU-INIZCTEOSA-N 2 1 313.449 2.099 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)C(C)C ZINC000298654602 403433595 /nfs/dbraw/zinc/43/35/95/403433595.db2.gz GFMXTGZTRUZQIP-QGZVFWFLSA-N 2 1 322.497 2.032 20 30 DEEDMP CCCCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304738015 403800213 /nfs/dbraw/zinc/80/02/13/403800213.db2.gz APYRFLULYULWSP-UHFFFAOYSA-N 2 1 321.469 2.208 20 30 DEEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC1(C#N)CCCCC1 ZINC000411427543 403853445 /nfs/dbraw/zinc/85/34/45/403853445.db2.gz OANVMEPWVLAYBK-UHFFFAOYSA-N 2 1 306.498 2.420 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000305179268 403864547 /nfs/dbraw/zinc/86/45/47/403864547.db2.gz VXPCMZROKVNCHB-IRXDYDNUSA-N 2 1 319.474 2.477 20 30 DEEDMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCn3ccnc32)CC1 ZINC000328617948 404114708 /nfs/dbraw/zinc/11/47/08/404114708.db2.gz UQODWOHSZSPFFR-HNNXBMFYSA-N 2 1 319.453 2.091 20 30 DEEDMP C=CCC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064718 404389701 /nfs/dbraw/zinc/38/97/01/404389701.db2.gz IPUWEGQSTHGYHQ-CVEARBPZSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064718 404389707 /nfs/dbraw/zinc/38/97/07/404389707.db2.gz IPUWEGQSTHGYHQ-CVEARBPZSA-N 2 1 319.449 2.464 20 30 DEEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC000356064718 404389714 /nfs/dbraw/zinc/38/97/14/404389714.db2.gz IPUWEGQSTHGYHQ-CVEARBPZSA-N 2 1 319.449 2.464 20 30 DEEDMP C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310747 404924742 /nfs/dbraw/zinc/92/47/42/404924742.db2.gz CXDNWILBERIMGZ-IRXDYDNUSA-N 2 1 306.498 2.274 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451525045 405010309 /nfs/dbraw/zinc/01/03/09/405010309.db2.gz FGPZKUIGYHGISN-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525045 405010313 /nfs/dbraw/zinc/01/03/13/405010313.db2.gz FGPZKUIGYHGISN-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525045 405010318 /nfs/dbraw/zinc/01/03/18/405010318.db2.gz FGPZKUIGYHGISN-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525045 405010320 /nfs/dbraw/zinc/01/03/20/405010320.db2.gz FGPZKUIGYHGISN-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525045 405010323 /nfs/dbraw/zinc/01/03/23/405010323.db2.gz FGPZKUIGYHGISN-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421319900 405463447 /nfs/dbraw/zinc/46/34/47/405463447.db2.gz BFFFIBDQWCUTTQ-UHFFFAOYSA-N 2 1 305.397 2.288 20 30 DEEDMP C[C@H]1CN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402745 405491700 /nfs/dbraw/zinc/49/17/00/405491700.db2.gz WQGXGJHZGMKHQT-AWEZNQCLSA-N 2 1 305.397 2.288 20 30 DEEDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402745 405491707 /nfs/dbraw/zinc/49/17/07/405491707.db2.gz WQGXGJHZGMKHQT-AWEZNQCLSA-N 2 1 305.397 2.288 20 30 DEEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000421402745 405491715 /nfs/dbraw/zinc/49/17/15/405491715.db2.gz WQGXGJHZGMKHQT-AWEZNQCLSA-N 2 1 305.397 2.288 20 30 DEEDMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C#N)cc1 ZINC000580433916 405613984 /nfs/dbraw/zinc/61/39/84/405613984.db2.gz CLNMQCSZTHZIHT-INIZCTEOSA-N 2 1 324.432 2.384 20 30 DEEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000521762109 406365048 /nfs/dbraw/zinc/36/50/48/406365048.db2.gz PKQQIDOZDJGIAG-HRCADAONSA-N 2 1 318.490 2.318 20 30 DEEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1 ZINC000521762107 406365357 /nfs/dbraw/zinc/36/53/57/406365357.db2.gz PKQQIDOZDJGIAG-ARFHVFGLSA-N 2 1 318.490 2.318 20 30 DEEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000490838530 406496897 /nfs/dbraw/zinc/49/68/97/406496897.db2.gz CGOCYOZSNKMTRA-UHFFFAOYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000491688377 406668947 /nfs/dbraw/zinc/66/89/47/406668947.db2.gz AZDHONKGBWXXEM-INIZCTEOSA-N 2 1 318.461 2.488 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000491688377 406668953 /nfs/dbraw/zinc/66/89/53/406668953.db2.gz AZDHONKGBWXXEM-INIZCTEOSA-N 2 1 318.461 2.488 20 30 DEEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000262669213 225280620 /nfs/dbraw/zinc/28/06/20/225280620.db2.gz QHJXXGVELBFYSQ-HNNXBMFYSA-N 2 1 300.450 2.452 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]c(N(C)C)n1)C(C)C ZINC000354093050 425060420 /nfs/dbraw/zinc/06/04/20/425060420.db2.gz VWVKJUIAFXLUOE-HNNXBMFYSA-N 2 1 303.454 2.653 20 30 DEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657872340 425413106 /nfs/dbraw/zinc/41/31/06/425413106.db2.gz NCNNFCMIQCMJKQ-BRWVUGGUSA-N 2 1 307.482 2.298 20 30 DEEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000304811489 293017678 /nfs/dbraw/zinc/01/76/78/293017678.db2.gz XGBUKWKKURDHEK-YDHLFZDLSA-N 2 1 324.494 2.070 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001399375174 1161368517 /nfs/dbraw/zinc/36/85/17/1161368517.db2.gz KODNRLUGHYSRGM-GJZGRUSLSA-N 2 1 315.889 2.344 20 30 DEEDMP C[C@H]1C[NH+]=C(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)N1 ZINC000262628013 533989940 /nfs/dbraw/zinc/98/99/40/533989940.db2.gz DXTWROQXMLOAJS-KBPBESRZSA-N 2 1 306.479 2.458 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368670691 1148566609 /nfs/dbraw/zinc/56/66/09/1148566609.db2.gz VBPVKWLFZXKXHV-ZIAGYGMSSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001368670691 1148566620 /nfs/dbraw/zinc/56/66/20/1148566620.db2.gz VBPVKWLFZXKXHV-ZIAGYGMSSA-N 2 1 315.889 2.296 20 30 DEEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001327491447 1148568152 /nfs/dbraw/zinc/56/81/52/1148568152.db2.gz AELIEINASWHGIH-SFHVURJKSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247777483 526436469 /nfs/dbraw/zinc/43/64/69/526436469.db2.gz RASMFLQOEFRPFQ-CVEARBPZSA-N 2 1 322.497 2.056 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1O ZINC000261969961 527239521 /nfs/dbraw/zinc/23/95/21/527239521.db2.gz ICNPQELSWBIMHE-GOSISDBHSA-N 2 1 302.418 2.315 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1O ZINC000261969961 527239525 /nfs/dbraw/zinc/23/95/25/527239525.db2.gz ICNPQELSWBIMHE-GOSISDBHSA-N 2 1 302.418 2.315 20 30 DEEDMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000422838612 527650832 /nfs/dbraw/zinc/65/08/32/527650832.db2.gz XTICXQKQKKIBNF-WNRNVDISSA-N 2 1 309.498 2.027 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023467919 625283388 /nfs/dbraw/zinc/28/33/88/625283388.db2.gz DVWWLPACLWGMIF-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468032 625283808 /nfs/dbraw/zinc/28/38/08/625283808.db2.gz HTAWNARXUFITQU-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293755 625327268 /nfs/dbraw/zinc/32/72/68/625327268.db2.gz FVOPLHJBCZENEH-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450050 625444890 /nfs/dbraw/zinc/44/48/90/625444890.db2.gz CKRUARAWZXWEQJ-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025458756 625451953 /nfs/dbraw/zinc/45/19/53/625451953.db2.gz CKDDRNJJYLFTCW-GDBMZVCRSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680515 622879760 /nfs/dbraw/zinc/87/97/60/622879760.db2.gz NDUSVTAZZBDLMN-HZPDHXFCSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529844 623523753 /nfs/dbraw/zinc/52/37/53/623523753.db2.gz TYUQJLXHPBOUAU-NVXWUHKLSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021602443 623814257 /nfs/dbraw/zinc/81/42/57/623814257.db2.gz HMTMOASPBIFVQR-WBVHZDCISA-N 2 1 316.449 2.231 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071409 624817808 /nfs/dbraw/zinc/81/78/08/624817808.db2.gz WVXLTQOXYPYSFP-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972071409 624817809 /nfs/dbraw/zinc/81/78/09/624817809.db2.gz WVXLTQOXYPYSFP-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024761459 625042705 /nfs/dbraw/zinc/04/27/05/625042705.db2.gz GUMXEQNKKJEKFI-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001022957202 625117106 /nfs/dbraw/zinc/11/71/06/625117106.db2.gz MOJUZNTZDSJEHC-IXDOHACOSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402662 625254798 /nfs/dbraw/zinc/25/47/98/625254798.db2.gz QKUAZRXWHVUIGN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402662 625254806 /nfs/dbraw/zinc/25/48/06/625254806.db2.gz QKUAZRXWHVUIGN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479815 625808704 /nfs/dbraw/zinc/80/87/04/625808704.db2.gz QFISHKVRTBDIMG-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479815 625808710 /nfs/dbraw/zinc/80/87/10/625808710.db2.gz QFISHKVRTBDIMG-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000999505456 634613196 /nfs/dbraw/zinc/61/31/96/634613196.db2.gz JNEDSWIHOZINMD-OFLPRAFFSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995791503 633122495 /nfs/dbraw/zinc/12/24/95/633122495.db2.gz HXKQNYHWPRFBRR-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995896392 633135073 /nfs/dbraw/zinc/13/50/73/633135073.db2.gz NGZCXSGZCXVDHT-LSDHHAIUSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670210 633214671 /nfs/dbraw/zinc/21/46/71/633214671.db2.gz HGTOSYTYDSCQOY-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670210 633214675 /nfs/dbraw/zinc/21/46/75/633214675.db2.gz HGTOSYTYDSCQOY-CABCVRRESA-N 2 1 316.449 2.163 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974686885 633235626 /nfs/dbraw/zinc/23/56/26/633235626.db2.gz YJRKMNUVAXDHDJ-DLBZAZTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974766928 633293409 /nfs/dbraw/zinc/29/34/09/633293409.db2.gz LGNMPHPMVAPYCJ-INIZCTEOSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094003 633576183 /nfs/dbraw/zinc/57/61/83/633576183.db2.gz OBQQXEZYIXPEFY-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001027466663 633835895 /nfs/dbraw/zinc/83/58/95/633835895.db2.gz XGMFTKOMUPMANH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466663 633835897 /nfs/dbraw/zinc/83/58/97/633835897.db2.gz XGMFTKOMUPMANH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001027466663 633835900 /nfs/dbraw/zinc/83/59/00/633835900.db2.gz XGMFTKOMUPMANH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001027466663 633835903 /nfs/dbraw/zinc/83/59/03/633835903.db2.gz XGMFTKOMUPMANH-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492014 633887009 /nfs/dbraw/zinc/88/70/09/633887009.db2.gz FNUKZQIZJKPRHD-QGZVFWFLSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168298 634872938 /nfs/dbraw/zinc/87/29/38/634872938.db2.gz MNDVUCAHEOCUEV-BBWFWOEESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168298 634872939 /nfs/dbraw/zinc/87/29/39/634872939.db2.gz MNDVUCAHEOCUEV-BBWFWOEESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980168298 634872941 /nfs/dbraw/zinc/87/29/41/634872941.db2.gz MNDVUCAHEOCUEV-BBWFWOEESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000980475432 635015401 /nfs/dbraw/zinc/01/54/01/635015401.db2.gz FYSQOKKGJOLHLM-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486914 635018564 /nfs/dbraw/zinc/01/85/64/635018564.db2.gz XAJUTMJOERDYON-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003003 635214073 /nfs/dbraw/zinc/21/40/73/635214073.db2.gz JSIVHJDJVNXSCO-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC001000778986 635307633 /nfs/dbraw/zinc/30/76/33/635307633.db2.gz VDPHRIYIWPZCFI-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000778986 635307638 /nfs/dbraw/zinc/30/76/38/635307638.db2.gz VDPHRIYIWPZCFI-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000778986 635307641 /nfs/dbraw/zinc/30/76/41/635307641.db2.gz VDPHRIYIWPZCFI-MRXNPFEDSA-N 2 1 314.433 2.085 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000951791 635367414 /nfs/dbraw/zinc/36/74/14/635367414.db2.gz ZOKHYWTUESTANP-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001084914 635402807 /nfs/dbraw/zinc/40/28/07/635402807.db2.gz DJRIPDIDFPPXDA-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001084914 635402812 /nfs/dbraw/zinc/40/28/12/635402812.db2.gz DJRIPDIDFPPXDA-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001084914 635402815 /nfs/dbraw/zinc/40/28/15/635402815.db2.gz DJRIPDIDFPPXDA-RDJZCZTQSA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001420090 635493837 /nfs/dbraw/zinc/49/38/37/635493837.db2.gz FLNFHWFKLMQOIR-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001466427 635501924 /nfs/dbraw/zinc/50/19/24/635501924.db2.gz HKIKJSOOKOLTKK-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098619 635513882 /nfs/dbraw/zinc/51/38/82/635513882.db2.gz SWAYQYVKWPKNAC-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479434 635516637 /nfs/dbraw/zinc/51/66/37/635516637.db2.gz OAZPFTVYTIPAEV-MRXNPFEDSA-N 2 1 316.449 2.165 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805703 635662598 /nfs/dbraw/zinc/66/25/98/635662598.db2.gz ICECMSBTZUOTJN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805703 635662601 /nfs/dbraw/zinc/66/26/01/635662601.db2.gz ICECMSBTZUOTJN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805703 635662606 /nfs/dbraw/zinc/66/26/06/635662606.db2.gz ICECMSBTZUOTJN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964225 635772674 /nfs/dbraw/zinc/77/26/74/635772674.db2.gz YCNMUDFPXMKPQA-UHFFFAOYSA-N 2 1 315.461 2.125 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081609 635862791 /nfs/dbraw/zinc/86/27/91/635862791.db2.gz UQLBLZKDJDHIMP-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081024 635862982 /nfs/dbraw/zinc/86/29/82/635862982.db2.gz FVWJKADARZQAJG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081024 635862985 /nfs/dbraw/zinc/86/29/85/635862985.db2.gz FVWJKADARZQAJG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081024 635862989 /nfs/dbraw/zinc/86/29/89/635862989.db2.gz FVWJKADARZQAJG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953969 /nfs/dbraw/zinc/95/39/69/635953969.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953970 /nfs/dbraw/zinc/95/39/70/635953970.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297575 635953973 /nfs/dbraw/zinc/95/39/73/635953973.db2.gz NDFJQBHYHKCQQE-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922220871 636009925 /nfs/dbraw/zinc/00/99/25/636009925.db2.gz DCYBYESXPDMRLE-KRWDZBQOSA-N 2 1 303.450 2.358 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598054 636373069 /nfs/dbraw/zinc/37/30/69/636373069.db2.gz VXLSOWPTGVOUTG-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598054 636373073 /nfs/dbraw/zinc/37/30/73/636373073.db2.gz VXLSOWPTGVOUTG-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598054 636373078 /nfs/dbraw/zinc/37/30/78/636373078.db2.gz VXLSOWPTGVOUTG-XWTMOSNGSA-N 2 1 319.493 2.073 20 30 DEEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083540 637181663 /nfs/dbraw/zinc/18/16/63/637181663.db2.gz HOHMKWBQJXHKEW-GOSISDBHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000985646072 639558617 /nfs/dbraw/zinc/55/86/17/639558617.db2.gz GWQJDAHEUYVYDY-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000985646072 639558622 /nfs/dbraw/zinc/55/86/22/639558622.db2.gz GWQJDAHEUYVYDY-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000985646072 639558624 /nfs/dbraw/zinc/55/86/24/639558624.db2.gz GWQJDAHEUYVYDY-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483228 641121021 /nfs/dbraw/zinc/12/10/21/641121021.db2.gz PSZWBKFTLQDTDE-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483824 641121968 /nfs/dbraw/zinc/12/19/68/641121968.db2.gz YDAQYEVEEKNDKI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000902762727 643128401 /nfs/dbraw/zinc/12/84/01/643128401.db2.gz PKWINAWVBPFKQK-GOSISDBHSA-N 2 1 301.434 2.446 20 30 DEEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000904470910 643677137 /nfs/dbraw/zinc/67/71/37/643677137.db2.gz CXTRLCOOYCKZPW-AEFFLSMTSA-N 2 1 309.369 2.497 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000907403124 644532195 /nfs/dbraw/zinc/53/21/95/644532195.db2.gz DOZCWQLGVKSFAQ-AEFFLSMTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771522 646596635 /nfs/dbraw/zinc/59/66/35/646596635.db2.gz MZDZUPLOPZKPCG-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771522 646596641 /nfs/dbraw/zinc/59/66/41/646596641.db2.gz MZDZUPLOPZKPCG-HUUCEWRRSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992284823 646929752 /nfs/dbraw/zinc/92/97/52/646929752.db2.gz LZEFNMBTGBFOFA-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353883 646955993 /nfs/dbraw/zinc/95/59/93/646955993.db2.gz SYJDCGAWGIPSSF-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992353883 646955994 /nfs/dbraw/zinc/95/59/94/646955994.db2.gz SYJDCGAWGIPSSF-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993761262 647741259 /nfs/dbraw/zinc/74/12/59/647741259.db2.gz OKTJQIIVPFIQTM-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993903823 647761059 /nfs/dbraw/zinc/76/10/59/647761059.db2.gz MSQZPKJUNZVEOF-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993903823 647761064 /nfs/dbraw/zinc/76/10/64/647761064.db2.gz MSQZPKJUNZVEOF-LSDHHAIUSA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598438 649256951 /nfs/dbraw/zinc/25/69/51/649256951.db2.gz XNBJSBVVDYSIRS-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942824641 649291027 /nfs/dbraw/zinc/29/10/27/649291027.db2.gz YGZZXEMIJROKGN-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169361 649490222 /nfs/dbraw/zinc/49/02/22/649490222.db2.gz ONWMQONNUUPALT-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169361 649490223 /nfs/dbraw/zinc/49/02/23/649490223.db2.gz ONWMQONNUUPALT-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000853598749 652576699 /nfs/dbraw/zinc/57/66/99/652576699.db2.gz WAZCCIQZTHJUET-JZXOWHBKSA-N 2 1 317.433 2.044 20 30 DEEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000853598749 652576702 /nfs/dbraw/zinc/57/67/02/652576702.db2.gz WAZCCIQZTHJUET-JZXOWHBKSA-N 2 1 317.433 2.044 20 30 DEEDMP CCc1ccc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000304761773 685259888 /nfs/dbraw/zinc/25/98/88/685259888.db2.gz UVPONBBVIRIRQG-QGZVFWFLSA-N 2 1 302.466 2.180 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129742 693856572 /nfs/dbraw/zinc/85/65/72/693856572.db2.gz YOYJDFGCNZLUNY-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129742 693856575 /nfs/dbraw/zinc/85/65/75/693856575.db2.gz YOYJDFGCNZLUNY-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129742 693856578 /nfs/dbraw/zinc/85/65/78/693856578.db2.gz YOYJDFGCNZLUNY-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141558 693861308 /nfs/dbraw/zinc/86/13/08/693861308.db2.gz MGYLTLBJXZLASV-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141558 693861311 /nfs/dbraw/zinc/86/13/11/693861311.db2.gz MGYLTLBJXZLASV-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141558 693861316 /nfs/dbraw/zinc/86/13/16/693861316.db2.gz MGYLTLBJXZLASV-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144970 693862039 /nfs/dbraw/zinc/86/20/39/693862039.db2.gz GBIDCERMYAKERU-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197910 693880051 /nfs/dbraw/zinc/88/00/51/693880051.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197910 693880055 /nfs/dbraw/zinc/88/00/55/693880055.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197910 693880058 /nfs/dbraw/zinc/88/00/58/693880058.db2.gz LNUKSHSIIQTEKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302340 685036750 /nfs/dbraw/zinc/03/67/50/685036750.db2.gz LBLCXPCJDHFCNO-HRCADAONSA-N 2 1 304.413 2.070 20 30 DEEDMP [NH2+]=C(NCC1CCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195290832 685093749 /nfs/dbraw/zinc/09/37/49/685093749.db2.gz WIBRNLJDQYZRKU-KRWDZBQOSA-N 2 1 300.450 2.213 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000303909309 685240337 /nfs/dbraw/zinc/24/03/37/685240337.db2.gz YCBJOHZHLWKVNX-SJORKVTESA-N 2 1 314.477 2.495 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304042592 685244213 /nfs/dbraw/zinc/24/42/13/685244213.db2.gz IXJLBTBELYMVKH-GFCCVEGCSA-N 2 1 321.469 2.206 20 30 DEEDMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865428243 687208289 /nfs/dbraw/zinc/20/82/89/687208289.db2.gz RFPDSXLLYNHVAM-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865428243 687208294 /nfs/dbraw/zinc/20/82/94/687208294.db2.gz RFPDSXLLYNHVAM-MRXNPFEDSA-N 2 1 300.450 2.446 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001016322812 687591964 /nfs/dbraw/zinc/59/19/64/687591964.db2.gz LRRCFSQVRYWKFI-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001016332245 687594807 /nfs/dbraw/zinc/59/48/07/687594807.db2.gz DKGQDXRWORRMPW-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017767107 687955847 /nfs/dbraw/zinc/95/58/47/687955847.db2.gz HHWPXLXYOSUYMX-FGTMMUONSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001018873194 688245172 /nfs/dbraw/zinc/24/51/72/688245172.db2.gz OCTVQAHWGOXZTP-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000368 688548166 /nfs/dbraw/zinc/54/81/66/688548166.db2.gz BZWXQNJFICBWGM-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001030315179 688663409 /nfs/dbraw/zinc/66/34/09/688663409.db2.gz PQTSXGZKEVNFPK-OAHLLOKOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001030315179 688663411 /nfs/dbraw/zinc/66/34/11/688663411.db2.gz PQTSXGZKEVNFPK-OAHLLOKOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872155969 688940607 /nfs/dbraw/zinc/94/06/07/688940607.db2.gz BPKKXIQWZKDNHG-ZOBUZTSGSA-N 2 1 307.482 2.297 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803960 689265964 /nfs/dbraw/zinc/26/59/64/689265964.db2.gz RGMIKYKLNKFWOZ-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803960 689265966 /nfs/dbraw/zinc/26/59/66/689265966.db2.gz RGMIKYKLNKFWOZ-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354055 689474145 /nfs/dbraw/zinc/47/41/45/689474145.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033354055 689474149 /nfs/dbraw/zinc/47/41/49/689474149.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033354055 689474151 /nfs/dbraw/zinc/47/41/51/689474151.db2.gz MJWMYKBQAIIFTP-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033549081 689538790 /nfs/dbraw/zinc/53/87/90/689538790.db2.gz VDFLNFIUVIGFHI-QGZVFWFLSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033575371 689548675 /nfs/dbraw/zinc/54/86/75/689548675.db2.gz RBMIFJRGPUTABK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033575371 689548677 /nfs/dbraw/zinc/54/86/77/689548677.db2.gz RBMIFJRGPUTABK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033575371 689548679 /nfs/dbraw/zinc/54/86/79/689548679.db2.gz RBMIFJRGPUTABK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577095 689549579 /nfs/dbraw/zinc/54/95/79/689549579.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577095 689549583 /nfs/dbraw/zinc/54/95/83/689549583.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577095 689549585 /nfs/dbraw/zinc/54/95/85/689549585.db2.gz ZEAMEPOLQBINOA-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001034045840 689705333 /nfs/dbraw/zinc/70/53/33/689705333.db2.gz NTFZCLYZPJBONP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249645 689781207 /nfs/dbraw/zinc/78/12/07/689781207.db2.gz MGGKVGPTDJGDBR-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249645 689781210 /nfs/dbraw/zinc/78/12/10/689781210.db2.gz MGGKVGPTDJGDBR-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034485667 689869398 /nfs/dbraw/zinc/86/93/98/689869398.db2.gz SNFDQIWKAJMASV-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034485667 689869401 /nfs/dbraw/zinc/86/94/01/689869401.db2.gz SNFDQIWKAJMASV-OAHLLOKOSA-N 2 1 316.449 2.308 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000876735925 689921306 /nfs/dbraw/zinc/92/13/06/689921306.db2.gz JXHUSDRIBNAKRW-HNNXBMFYSA-N 2 1 309.841 2.224 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035228571 690066419 /nfs/dbraw/zinc/06/64/19/690066419.db2.gz UECRUYVAXYFTFI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035228571 690066422 /nfs/dbraw/zinc/06/64/22/690066422.db2.gz UECRUYVAXYFTFI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725088 690161573 /nfs/dbraw/zinc/16/15/73/690161573.db2.gz FPRPNKKAUXRHLD-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035733307 690163532 /nfs/dbraw/zinc/16/35/32/690163532.db2.gz YIMMNYNFQXTPLO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736271 690452130 /nfs/dbraw/zinc/45/21/30/690452130.db2.gz XNJMRPISLXHTQG-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036763180 690464378 /nfs/dbraw/zinc/46/43/78/690464378.db2.gz WPKLRWXNAZWZIW-FUHWJXTLSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037926107 690641838 /nfs/dbraw/zinc/64/18/38/690641838.db2.gz MFLBPOFQBUOVDC-HOTGVXAUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001037976440 690654369 /nfs/dbraw/zinc/65/43/69/690654369.db2.gz ZRPMFKBHYVTVES-GJZGRUSLSA-N 2 1 324.856 2.161 20 30 DEEDMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880262509 690854612 /nfs/dbraw/zinc/85/46/12/690854612.db2.gz NEZGSCJMTSOFSW-HNAYVOBHSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039046703 691002477 /nfs/dbraw/zinc/00/24/77/691002477.db2.gz AYICZAUMRANIHB-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001039046703 691002479 /nfs/dbraw/zinc/00/24/79/691002479.db2.gz AYICZAUMRANIHB-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001039269621 691072854 /nfs/dbraw/zinc/07/28/54/691072854.db2.gz TVLWSORIWKKZIB-HMQMGEFJSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039307765 691078246 /nfs/dbraw/zinc/07/82/46/691078246.db2.gz YBZIJIWQQYKDJX-MGNMYUMUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039474251 691114923 /nfs/dbraw/zinc/11/49/23/691114923.db2.gz YUCGHAWSKLQUHJ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039474251 691114925 /nfs/dbraw/zinc/11/49/25/691114925.db2.gz YUCGHAWSKLQUHJ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039474251 691114927 /nfs/dbraw/zinc/11/49/27/691114927.db2.gz YUCGHAWSKLQUHJ-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380774 691239767 /nfs/dbraw/zinc/23/97/67/691239767.db2.gz UVFACTQTXHDQPI-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCN(C)CCC[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000883131099 691436056 /nfs/dbraw/zinc/43/60/56/691436056.db2.gz GFANTGJKWSFDFU-UHFFFAOYSA-N 2 1 304.825 2.271 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845661 691444205 /nfs/dbraw/zinc/44/42/05/691444205.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845661 691444207 /nfs/dbraw/zinc/44/42/07/691444207.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845661 691444211 /nfs/dbraw/zinc/44/42/11/691444211.db2.gz MLFLDGZEEBGNCU-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041845721 691444601 /nfs/dbraw/zinc/44/46/01/691444601.db2.gz OSICJIRNLLDNEF-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063533 691496059 /nfs/dbraw/zinc/49/60/59/691496059.db2.gz YNYFLAYSTTUAMC-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132743 691517141 /nfs/dbraw/zinc/51/71/41/691517141.db2.gz HUYGMEIJHJKDTJ-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156063 691524521 /nfs/dbraw/zinc/52/45/21/691524521.db2.gz GKBGHXLZFHINNG-YJBOKZPZSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156469 691524656 /nfs/dbraw/zinc/52/46/56/691524656.db2.gz JGYSTJBTSZEMCB-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156469 691524659 /nfs/dbraw/zinc/52/46/59/691524659.db2.gz JGYSTJBTSZEMCB-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186616 691531832 /nfs/dbraw/zinc/53/18/32/691531832.db2.gz IPQCRJUECCLWAJ-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043072290 691672883 /nfs/dbraw/zinc/67/28/83/691672883.db2.gz FBQKJBOGSAGOJK-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043072290 691672886 /nfs/dbraw/zinc/67/28/86/691672886.db2.gz FBQKJBOGSAGOJK-WBVHZDCISA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045443598 691981901 /nfs/dbraw/zinc/98/19/01/691981901.db2.gz SITBTSWYLPIANT-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967523 692064443 /nfs/dbraw/zinc/06/44/43/692064443.db2.gz WUIWMRGPVLUWPL-PKOBYXMFSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984433 692068493 /nfs/dbraw/zinc/06/84/93/692068493.db2.gz AIACLHCWYTYTEI-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984433 692068497 /nfs/dbraw/zinc/06/84/97/692068497.db2.gz AIACLHCWYTYTEI-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984433 692068501 /nfs/dbraw/zinc/06/85/01/692068501.db2.gz AIACLHCWYTYTEI-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984435 692068687 /nfs/dbraw/zinc/06/86/87/692068687.db2.gz AIACLHCWYTYTEI-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984435 692068688 /nfs/dbraw/zinc/06/86/88/692068688.db2.gz AIACLHCWYTYTEI-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984435 692068689 /nfs/dbraw/zinc/06/86/89/692068689.db2.gz AIACLHCWYTYTEI-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984707 692069643 /nfs/dbraw/zinc/06/96/43/692069643.db2.gz HFGSROJXVZMROF-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984707 692069646 /nfs/dbraw/zinc/06/96/46/692069646.db2.gz HFGSROJXVZMROF-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984707 692069648 /nfs/dbraw/zinc/06/96/48/692069648.db2.gz HFGSROJXVZMROF-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562922 692648475 /nfs/dbraw/zinc/64/84/75/692648475.db2.gz RXBHRDMINBKNBA-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562922 692648478 /nfs/dbraw/zinc/64/84/78/692648478.db2.gz RXBHRDMINBKNBA-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562922 692648479 /nfs/dbraw/zinc/64/84/79/692648479.db2.gz RXBHRDMINBKNBA-JCECYMMASA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048907500 692720007 /nfs/dbraw/zinc/72/00/07/692720007.db2.gz YUQQUPQFGXXPKE-IYBDPMFKSA-N 2 1 324.428 2.223 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049464587 692890219 /nfs/dbraw/zinc/89/02/19/692890219.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464587 692890222 /nfs/dbraw/zinc/89/02/22/692890222.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464587 692890225 /nfs/dbraw/zinc/89/02/25/692890225.db2.gz NWGROOJXYNQLTB-GVDBMIGSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482256 692896925 /nfs/dbraw/zinc/89/69/25/692896925.db2.gz LMYPYNVWFDTQRV-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482256 692896927 /nfs/dbraw/zinc/89/69/27/692896927.db2.gz LMYPYNVWFDTQRV-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482256 692896930 /nfs/dbraw/zinc/89/69/30/692896930.db2.gz LMYPYNVWFDTQRV-XWTMOSNGSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846077 693020346 /nfs/dbraw/zinc/02/03/46/693020346.db2.gz FRSSGCMYYHCZAK-IAGOWNOFSA-N 2 1 314.433 2.013 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846077 693020351 /nfs/dbraw/zinc/02/03/51/693020351.db2.gz FRSSGCMYYHCZAK-IAGOWNOFSA-N 2 1 314.433 2.013 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC)cc1 ZINC001050264250 693148939 /nfs/dbraw/zinc/14/89/39/693148939.db2.gz VINLSAHYULARTP-YJBOKZPZSA-N 2 1 313.445 2.071 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC)cc1 ZINC001050264250 693148942 /nfs/dbraw/zinc/14/89/42/693148942.db2.gz VINLSAHYULARTP-YJBOKZPZSA-N 2 1 313.445 2.071 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000926491537 693460914 /nfs/dbraw/zinc/46/09/14/693460914.db2.gz WYLUUIPNRVXRJG-UHFFFAOYSA-N 2 1 315.461 2.127 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000926491537 693460918 /nfs/dbraw/zinc/46/09/18/693460918.db2.gz WYLUUIPNRVXRJG-UHFFFAOYSA-N 2 1 315.461 2.127 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651728 693588442 /nfs/dbraw/zinc/58/84/42/693588442.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651728 693588443 /nfs/dbraw/zinc/58/84/43/693588443.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651728 693588446 /nfs/dbraw/zinc/58/84/46/693588446.db2.gz MNTIHXKTJKGDDH-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001052713508 693602024 /nfs/dbraw/zinc/60/20/24/693602024.db2.gz YOJKSHDRJDBAFN-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052713508 693602026 /nfs/dbraw/zinc/60/20/26/693602026.db2.gz YOJKSHDRJDBAFN-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001052713508 693602028 /nfs/dbraw/zinc/60/20/28/693602028.db2.gz YOJKSHDRJDBAFN-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001332409694 1149857792 /nfs/dbraw/zinc/85/77/92/1149857792.db2.gz OFIYTOSHLWNVCW-IRXDYDNUSA-N 2 1 319.424 2.195 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001391848379 1156815838 /nfs/dbraw/zinc/81/58/38/1156815838.db2.gz ZCCQNQGTURLKCO-OAHLLOKOSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001393970287 1158110307 /nfs/dbraw/zinc/11/03/07/1158110307.db2.gz CDMNZRDNQRUBAH-CHWSQXEVSA-N 2 1 303.878 2.200 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001394024089 1158171839 /nfs/dbraw/zinc/17/18/39/1158171839.db2.gz YGNZRLPUTVFXOC-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001377414117 1160344108 /nfs/dbraw/zinc/34/41/08/1160344108.db2.gz GNLNJUVZONTYQM-OAHLLOKOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001377414117 1160344115 /nfs/dbraw/zinc/34/41/15/1160344115.db2.gz GNLNJUVZONTYQM-OAHLLOKOSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001401327844 1161933102 /nfs/dbraw/zinc/93/31/02/1161933102.db2.gz VZAYMJWOIVDOSD-SOUVJXGZSA-N 2 1 315.889 2.200 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001401832082 1162148138 /nfs/dbraw/zinc/14/81/38/1162148138.db2.gz USPAOCSCFUQWMM-CABCVRRESA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001402085739 1162241809 /nfs/dbraw/zinc/24/18/09/1162241809.db2.gz ZMFVYMYKIIWJNJ-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001402085739 1162241814 /nfs/dbraw/zinc/24/18/14/1162241814.db2.gz ZMFVYMYKIIWJNJ-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001418842625 1168003348 /nfs/dbraw/zinc/00/33/48/1168003348.db2.gz KGYNXANVXZBKJY-ZDUSSCGKSA-N 2 1 324.856 2.161 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001419937209 1168961397 /nfs/dbraw/zinc/96/13/97/1168961397.db2.gz SKHBWXQRQACHCI-LSDHHAIUSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001421886273 1172089081 /nfs/dbraw/zinc/08/90/81/1172089081.db2.gz GNGIUPBKACQMEA-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001423659444 1173472858 /nfs/dbraw/zinc/47/28/58/1173472858.db2.gz BGFNFEFUIATMSK-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001423659444 1173472862 /nfs/dbraw/zinc/47/28/62/1173472862.db2.gz BGFNFEFUIATMSK-AWEZNQCLSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001425505398 1174343083 /nfs/dbraw/zinc/34/30/83/1174343083.db2.gz IVKYQPJJSRPJPF-HUUCEWRRSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001425888807 1174499170 /nfs/dbraw/zinc/49/91/70/1174499170.db2.gz PUKTUCPCTAVAKF-HIFRSBDPSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001426140346 1174613878 /nfs/dbraw/zinc/61/38/78/1174613878.db2.gz UJBZTRRGLBMKKU-GXTWGEPZSA-N 2 1 315.889 2.201 20 30 DEEDMP CC[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC001434529224 1178783815 /nfs/dbraw/zinc/78/38/15/1178783815.db2.gz UQIFOYIPOFNBIO-QGZVFWFLSA-N 2 1 314.433 2.138 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805695 1180818123 /nfs/dbraw/zinc/81/81/23/1180818123.db2.gz QHMGXGWBSFFRDU-CABCVRRESA-N 2 1 315.889 2.342 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001444373605 1183362436 /nfs/dbraw/zinc/36/24/36/1183362436.db2.gz ICYPXRCEUVCDBB-HIFRSBDPSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001448556451 1185292158 /nfs/dbraw/zinc/29/21/58/1185292158.db2.gz AMEBPUZQZJNXNM-HUUCEWRRSA-N 2 1 315.889 2.344 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001448874703 1185444209 /nfs/dbraw/zinc/44/42/09/1185444209.db2.gz SULAYYRKLGPCKS-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001332032685 1149811101 /nfs/dbraw/zinc/81/11/01/1149811101.db2.gz PYYFPNHSMBVGIT-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001332218715 1149836998 /nfs/dbraw/zinc/83/69/98/1149836998.db2.gz LRTHLIYYKBKGLY-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149813 782438400 /nfs/dbraw/zinc/43/84/00/782438400.db2.gz TXDDGBVLEQPAIA-BZUAXINKSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072922863 790305285 /nfs/dbraw/zinc/30/52/85/790305285.db2.gz CUYVXPPEIUMNSE-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072922863 790305292 /nfs/dbraw/zinc/30/52/92/790305292.db2.gz CUYVXPPEIUMNSE-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC001333360107 1150039753 /nfs/dbraw/zinc/03/97/53/1150039753.db2.gz IKBKGLLQSLOZDS-MAUKXSAKSA-N 2 1 316.449 2.180 20 30 DEEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C#N)c2)[C@@H](C)C1 ZINC001333360107 1150039759 /nfs/dbraw/zinc/03/97/59/1150039759.db2.gz IKBKGLLQSLOZDS-MAUKXSAKSA-N 2 1 316.449 2.180 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419427 783088303 /nfs/dbraw/zinc/08/83/03/783088303.db2.gz GKZPSFAJCVEKQG-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419427 783088307 /nfs/dbraw/zinc/08/83/07/783088307.db2.gz GKZPSFAJCVEKQG-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419427 783088313 /nfs/dbraw/zinc/08/83/13/783088313.db2.gz GKZPSFAJCVEKQG-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947494541 783152925 /nfs/dbraw/zinc/15/29/25/783152925.db2.gz ZBRYDXMFEQHOPE-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159102 /nfs/dbraw/zinc/15/91/02/783159102.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159109 /nfs/dbraw/zinc/15/91/09/783159109.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089493457 783159114 /nfs/dbraw/zinc/15/91/14/783159114.db2.gz XBEFTUNHICGCHD-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988619 777142663 /nfs/dbraw/zinc/14/26/63/777142663.db2.gz IRPXIPNDVDBDJF-VSZNYVQBSA-N 2 1 321.509 2.365 20 30 DEEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396706 779375810 /nfs/dbraw/zinc/37/58/10/779375810.db2.gz SUYMRKNJIFMJHL-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041729 779651416 /nfs/dbraw/zinc/65/14/16/779651416.db2.gz GZLRPWPBQODOHJ-WBVHZDCISA-N 2 1 324.428 2.304 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001088748548 780934481 /nfs/dbraw/zinc/93/44/81/780934481.db2.gz KDBWHNBIXQRXNG-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309294 781211992 /nfs/dbraw/zinc/21/19/92/781211992.db2.gz KHRFZEODEIFETI-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309294 781211995 /nfs/dbraw/zinc/21/19/95/781211995.db2.gz KHRFZEODEIFETI-JKSUJKDBSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473345 783477603 /nfs/dbraw/zinc/47/76/03/783477603.db2.gz DBSYYGHJFOEHFE-INIZCTEOSA-N 2 1 318.465 2.426 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593305 783517460 /nfs/dbraw/zinc/51/74/60/783517460.db2.gz BXOISUIDYLASKB-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085224937 783590546 /nfs/dbraw/zinc/59/05/46/783590546.db2.gz BBNRHCGHSMXIEW-BZUAXINKSA-N 2 1 316.449 2.354 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376731 783969795 /nfs/dbraw/zinc/96/97/95/783969795.db2.gz JUUKDEGOHUJSJO-RHSMWYFYSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967376732 783970726 /nfs/dbraw/zinc/97/07/26/783970726.db2.gz JUUKDEGOHUJSJO-WMLDXEAASA-N 2 1 312.417 2.351 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986900 784283736 /nfs/dbraw/zinc/28/37/36/784283736.db2.gz PBPOYDBCSZSLIN-QGZVFWFLSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376621 784337668 /nfs/dbraw/zinc/33/76/68/784337668.db2.gz APXCHBPTNAJRRQ-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968376621 784337678 /nfs/dbraw/zinc/33/76/78/784337678.db2.gz APXCHBPTNAJRRQ-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106697 784413661 /nfs/dbraw/zinc/41/36/61/784413661.db2.gz VBYMGKVYFTTXSV-UXLLHSPISA-N 2 1 305.466 2.064 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968849694 784617171 /nfs/dbraw/zinc/61/71/71/784617171.db2.gz DDGBFYWHFWMCBE-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968849694 784617177 /nfs/dbraw/zinc/61/71/77/784617177.db2.gz DDGBFYWHFWMCBE-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000968849694 784617182 /nfs/dbraw/zinc/61/71/82/784617182.db2.gz DDGBFYWHFWMCBE-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928581 784656267 /nfs/dbraw/zinc/65/62/67/784656267.db2.gz OYHHSSVDPDCXCV-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928581 784656276 /nfs/dbraw/zinc/65/62/76/784656276.db2.gz OYHHSSVDPDCXCV-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928581 784656282 /nfs/dbraw/zinc/65/62/82/784656282.db2.gz OYHHSSVDPDCXCV-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007500168 784937370 /nfs/dbraw/zinc/93/73/70/784937370.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500168 784937376 /nfs/dbraw/zinc/93/73/76/784937376.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007500168 784937382 /nfs/dbraw/zinc/93/73/82/784937382.db2.gz RAQBTQKNKWTSIP-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007619413 784963606 /nfs/dbraw/zinc/96/36/06/784963606.db2.gz MHZVDSYOJCGFSV-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008879546 785321028 /nfs/dbraw/zinc/32/10/28/785321028.db2.gz DADWNDYZRARGEK-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009166624 785399091 /nfs/dbraw/zinc/39/90/91/785399091.db2.gz GAXQUEWEGKSOEU-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009166624 785399101 /nfs/dbraw/zinc/39/91/01/785399101.db2.gz GAXQUEWEGKSOEU-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166624 785399116 /nfs/dbraw/zinc/39/91/16/785399116.db2.gz GAXQUEWEGKSOEU-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009166624 785399122 /nfs/dbraw/zinc/39/91/22/785399122.db2.gz GAXQUEWEGKSOEU-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704285 785494893 /nfs/dbraw/zinc/49/48/93/785494893.db2.gz HAEVOYFIPZMRBQ-BQFCYCMXSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171246872 791120229 /nfs/dbraw/zinc/12/02/29/791120229.db2.gz HOEFDSGBVKKBST-SJLPKXTDSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651099 785975817 /nfs/dbraw/zinc/97/58/17/785975817.db2.gz IYTPJSHQBKIGRP-PMPSAXMXSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057536 786383693 /nfs/dbraw/zinc/38/36/93/786383693.db2.gz VSUJYLCCSXPLKR-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001113682930 786758595 /nfs/dbraw/zinc/75/85/95/786758595.db2.gz YRHDZWFWSBMBGS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102339 787204637 /nfs/dbraw/zinc/20/46/37/787204637.db2.gz YYQAECYQXCILFV-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102339 787204641 /nfs/dbraw/zinc/20/46/41/787204641.db2.gz YYQAECYQXCILFV-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101440 787506296 /nfs/dbraw/zinc/50/62/96/787506296.db2.gz WBFVLHWZAHVLIZ-YVSFHVDLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265116 787996681 /nfs/dbraw/zinc/99/66/81/787996681.db2.gz IGDLXJJFKNTNMI-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210125 788020330 /nfs/dbraw/zinc/02/03/30/788020330.db2.gz PDZXRIOXUUDDGK-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210125 788020337 /nfs/dbraw/zinc/02/03/37/788020337.db2.gz PDZXRIOXUUDDGK-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210125 788020347 /nfs/dbraw/zinc/02/03/47/788020347.db2.gz PDZXRIOXUUDDGK-MLHJIOFPSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086694555 788193144 /nfs/dbraw/zinc/19/31/44/788193144.db2.gz YBHKFBFZSNPPAA-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121762 788287872 /nfs/dbraw/zinc/28/78/72/788287872.db2.gz KZCCXBPCCGAPPL-IRXDYDNUSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871748 789564723 /nfs/dbraw/zinc/56/47/23/789564723.db2.gz SGHHHAAWQKMALC-YESZJQIVSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071599823 789803924 /nfs/dbraw/zinc/80/39/24/789803924.db2.gz AXHXOCPFVGXJTP-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686156 791265883 /nfs/dbraw/zinc/26/58/83/791265883.db2.gz SLTPJYLTCXLVCY-MELADBBJSA-N 2 1 322.840 2.092 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001171330147 791741210 /nfs/dbraw/zinc/74/12/10/791741210.db2.gz RRPSENNTTAAHFI-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477208 791752537 /nfs/dbraw/zinc/75/25/37/791752537.db2.gz MPLPFUOPKRCCGQ-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148651619 791781412 /nfs/dbraw/zinc/78/14/12/791781412.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651619 791781415 /nfs/dbraw/zinc/78/14/15/791781415.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651619 791781419 /nfs/dbraw/zinc/78/14/19/791781419.db2.gz KTULUGMYPBAMTK-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302050 791974241 /nfs/dbraw/zinc/97/42/41/791974241.db2.gz QYSHCAPTAYERHI-MJGOQNOKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996401 792026681 /nfs/dbraw/zinc/02/66/81/792026681.db2.gz FUIMCKKBSUZPSV-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996401 792026692 /nfs/dbraw/zinc/02/66/92/792026692.db2.gz FUIMCKKBSUZPSV-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996401 792026699 /nfs/dbraw/zinc/02/66/99/792026699.db2.gz FUIMCKKBSUZPSV-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099224872 792143712 /nfs/dbraw/zinc/14/37/12/792143712.db2.gz KWEYCTJJBMBXFW-DLBZAZTESA-N 2 1 321.509 2.203 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310148 792166784 /nfs/dbraw/zinc/16/67/84/792166784.db2.gz ILSXFOZANWRAJL-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354448 792179943 /nfs/dbraw/zinc/17/99/43/792179943.db2.gz SPCLFOQLKOAYQN-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544727 792236229 /nfs/dbraw/zinc/23/62/29/792236229.db2.gz UGPLKCFHGSMCHL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544727 792236235 /nfs/dbraw/zinc/23/62/35/792236235.db2.gz UGPLKCFHGSMCHL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544727 792236241 /nfs/dbraw/zinc/23/62/41/792236241.db2.gz UGPLKCFHGSMCHL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093225542 792295981 /nfs/dbraw/zinc/29/59/81/792295981.db2.gz MSQNIDXMPUPUHQ-NVXWUHKLSA-N 2 1 315.461 2.232 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403353 792631965 /nfs/dbraw/zinc/63/19/65/792631965.db2.gz KYUCGKYAJXMUBF-ADKAHSJRSA-N 2 1 321.509 2.415 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758119 792828340 /nfs/dbraw/zinc/82/83/40/792828340.db2.gz YTGHODXFOSSWCM-UHFFFAOYSA-N 2 1 304.438 2.032 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758039 792828655 /nfs/dbraw/zinc/82/86/55/792828655.db2.gz UBPIZOUVHWBKBP-UHFFFAOYSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430854 792915739 /nfs/dbraw/zinc/91/57/39/792915739.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430854 792915751 /nfs/dbraw/zinc/91/57/51/792915751.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430854 792915761 /nfs/dbraw/zinc/91/57/61/792915761.db2.gz XVXREKTZKUVTDL-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629038 793139745 /nfs/dbraw/zinc/13/97/45/793139745.db2.gz GKNFMSLZCNSWEO-CQSZACIVSA-N 2 1 322.453 2.191 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418169 793150179 /nfs/dbraw/zinc/15/01/79/793150179.db2.gz CRFXDVSWXXCAES-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418169 793150183 /nfs/dbraw/zinc/15/01/83/793150183.db2.gz CRFXDVSWXXCAES-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418169 793150185 /nfs/dbraw/zinc/15/01/85/793150185.db2.gz CRFXDVSWXXCAES-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206182507 793524922 /nfs/dbraw/zinc/52/49/22/793524922.db2.gz ANWOYALABMCFRZ-DLBZAZTESA-N 2 1 304.413 2.298 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206182507 793524929 /nfs/dbraw/zinc/52/49/29/793524929.db2.gz ANWOYALABMCFRZ-DLBZAZTESA-N 2 1 304.413 2.298 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288555 793560224 /nfs/dbraw/zinc/56/02/24/793560224.db2.gz JLMYREYEOJXLHB-BRWVUGGUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233264 793994881 /nfs/dbraw/zinc/99/48/81/793994881.db2.gz GZQRWKXVKOEJQL-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233264 793994887 /nfs/dbraw/zinc/99/48/87/793994887.db2.gz GZQRWKXVKOEJQL-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175573945 794245470 /nfs/dbraw/zinc/24/54/70/794245470.db2.gz RPSUSQCUGYEMLS-IRXDYDNUSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591487 794451859 /nfs/dbraw/zinc/45/18/59/794451859.db2.gz LFZQMUWKMWYFDQ-OAHLLOKOSA-N 2 1 306.454 2.422 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001111899610 794519929 /nfs/dbraw/zinc/51/99/29/794519929.db2.gz QTKSUDICDOORQY-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001111899610 794519935 /nfs/dbraw/zinc/51/99/35/794519935.db2.gz QTKSUDICDOORQY-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001111899610 794519940 /nfs/dbraw/zinc/51/99/40/794519940.db2.gz QTKSUDICDOORQY-MPGHIAIKSA-N 2 1 316.449 2.135 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115306293 794729397 /nfs/dbraw/zinc/72/93/97/794729397.db2.gz LVHHLTQYEPJRTH-MLHJIOFPSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115596381 794833856 /nfs/dbraw/zinc/83/38/56/794833856.db2.gz FCNUYWFYKWSTAF-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730239 794899260 /nfs/dbraw/zinc/89/92/60/794899260.db2.gz GQLQIJRMVGDKCS-UHFFFAOYSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483539 794935152 /nfs/dbraw/zinc/93/51/52/794935152.db2.gz CLTFCSFNNGXJME-ZWKOTPCHSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179591250 795139648 /nfs/dbraw/zinc/13/96/48/795139648.db2.gz RJDVEMZUMMMOIA-DLBZAZTESA-N 2 1 309.498 2.417 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274593 795268923 /nfs/dbraw/zinc/26/89/23/795268923.db2.gz LVKXAFZOTXNJGG-UHFFFAOYSA-N 2 1 312.845 2.210 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372544 795293074 /nfs/dbraw/zinc/29/30/74/795293074.db2.gz ARYMNYCQILLIJB-QGZVFWFLSA-N 2 1 307.482 2.150 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452378 795310213 /nfs/dbraw/zinc/31/02/13/795310213.db2.gz TYPWLJDTHYAWJM-UHFFFAOYSA-N 2 1 315.461 2.018 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452378 795310220 /nfs/dbraw/zinc/31/02/20/795310220.db2.gz TYPWLJDTHYAWJM-UHFFFAOYSA-N 2 1 315.461 2.018 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736342 795536920 /nfs/dbraw/zinc/53/69/20/795536920.db2.gz NPLIVJCPAKYALR-CRAIPNDOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181780869 795538696 /nfs/dbraw/zinc/53/86/96/795538696.db2.gz CHVZXUUCIVSDCZ-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261465 795608799 /nfs/dbraw/zinc/60/87/99/795608799.db2.gz WHRPGZFKXHVWCL-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184575105 796086081 /nfs/dbraw/zinc/08/60/81/796086081.db2.gz BJSMCHMJPMJVEO-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167188 796200342 /nfs/dbraw/zinc/20/03/42/796200342.db2.gz CXDHBPMOASZHFW-SJORKVTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307392 796232709 /nfs/dbraw/zinc/23/27/09/796232709.db2.gz POVKHEBTJMJTLR-NVXWUHKLSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185445162 796258754 /nfs/dbraw/zinc/25/87/54/796258754.db2.gz FFWOZRAVMUSERU-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185551326 796280767 /nfs/dbraw/zinc/28/07/67/796280767.db2.gz ZDBGCFFAHCQXLN-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186083127 796356137 /nfs/dbraw/zinc/35/61/37/796356137.db2.gz RWZXJIOGYSRMDM-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044496 796535025 /nfs/dbraw/zinc/53/50/25/796535025.db2.gz KOMVNPJTTGNXSQ-HZPDHXFCSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145930 796632435 /nfs/dbraw/zinc/63/24/35/796632435.db2.gz RMCDASHNGPANCG-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282444 796736614 /nfs/dbraw/zinc/73/66/14/796736614.db2.gz GFBOAOAFZYJYHY-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159588 796776795 /nfs/dbraw/zinc/77/67/95/796776795.db2.gz AQCUUHRZBOKQQM-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159588 796776796 /nfs/dbraw/zinc/77/67/96/796776796.db2.gz AQCUUHRZBOKQQM-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159588 796776801 /nfs/dbraw/zinc/77/68/01/796776801.db2.gz AQCUUHRZBOKQQM-JKSUJKDBSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189898285 796907729 /nfs/dbraw/zinc/90/77/29/796907729.db2.gz JTYKIOPSUYGDJF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898285 796907731 /nfs/dbraw/zinc/90/77/31/796907731.db2.gz JTYKIOPSUYGDJF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189898285 796907733 /nfs/dbraw/zinc/90/77/33/796907733.db2.gz JTYKIOPSUYGDJF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889414 797102345 /nfs/dbraw/zinc/10/23/45/797102345.db2.gz KASNFTSBVFOSDP-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551675 797225217 /nfs/dbraw/zinc/22/52/17/797225217.db2.gz PJQOIXYISPAJIK-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551675 797225220 /nfs/dbraw/zinc/22/52/20/797225220.db2.gz PJQOIXYISPAJIK-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551675 797225222 /nfs/dbraw/zinc/22/52/22/797225222.db2.gz PJQOIXYISPAJIK-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001192293296 797356291 /nfs/dbraw/zinc/35/62/91/797356291.db2.gz HMHOGTQXOUWBBZ-LSDHHAIUSA-N 2 1 316.449 2.329 20 30 DEEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677432 797375249 /nfs/dbraw/zinc/37/52/49/797375249.db2.gz CZIBEHINCVZLTA-HZPDHXFCSA-N 2 1 315.477 2.459 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192655849 797423828 /nfs/dbraw/zinc/42/38/28/797423828.db2.gz PHEXWCLAKOXIEJ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154481000 797542194 /nfs/dbraw/zinc/54/21/94/797542194.db2.gz KAQAODXCCJUPSV-MRXNPFEDSA-N 2 1 317.477 2.417 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274392 797697094 /nfs/dbraw/zinc/69/70/94/797697094.db2.gz HISMTPFREGYZMK-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194274392 797697098 /nfs/dbraw/zinc/69/70/98/797697098.db2.gz HISMTPFREGYZMK-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001155600335 797801155 /nfs/dbraw/zinc/80/11/55/797801155.db2.gz VBFLNEMRYPEZEF-PBHICJAKSA-N 2 1 300.406 2.027 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196010257 797993505 /nfs/dbraw/zinc/99/35/05/797993505.db2.gz LVSFGCPUTQZDRZ-MRXNPFEDSA-N 2 1 313.461 2.167 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196162784 798013969 /nfs/dbraw/zinc/01/39/69/798013969.db2.gz ADCGZGKACMUHGO-INIZCTEOSA-N 2 1 316.449 2.261 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196162784 798013975 /nfs/dbraw/zinc/01/39/75/798013975.db2.gz ADCGZGKACMUHGO-INIZCTEOSA-N 2 1 316.449 2.261 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)CC1 ZINC001157092313 798142270 /nfs/dbraw/zinc/14/22/70/798142270.db2.gz RCXMFXCAKDHCTI-QGZVFWFLSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157138121 798148656 /nfs/dbraw/zinc/14/86/56/798148656.db2.gz NSBBETXXOZLYMG-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158354667 798390550 /nfs/dbraw/zinc/39/05/50/798390550.db2.gz KBKJMLNMDSTDGP-OAHLLOKOSA-N 2 1 306.454 2.459 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158480819 798414052 /nfs/dbraw/zinc/41/40/52/798414052.db2.gz RCJJVCUHLJLUQE-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158480819 798414056 /nfs/dbraw/zinc/41/40/56/798414056.db2.gz RCJJVCUHLJLUQE-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158480819 798414061 /nfs/dbraw/zinc/41/40/61/798414061.db2.gz RCJJVCUHLJLUQE-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001158806096 798471740 /nfs/dbraw/zinc/47/17/40/798471740.db2.gz ABKSYLHGLODZTL-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001158806096 798471742 /nfs/dbraw/zinc/47/17/42/798471742.db2.gz ABKSYLHGLODZTL-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001158806096 798471744 /nfs/dbraw/zinc/47/17/44/798471744.db2.gz ABKSYLHGLODZTL-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907925 798623852 /nfs/dbraw/zinc/62/38/52/798623852.db2.gz FNSJHCUJJFXDEB-HNNXBMFYSA-N 2 1 313.873 2.242 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200652094 798667254 /nfs/dbraw/zinc/66/72/54/798667254.db2.gz ZNDUPBWFAKKJQN-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285131 798670466 /nfs/dbraw/zinc/67/04/66/798670466.db2.gz BKAGTYXMMQRXPB-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285131 798670470 /nfs/dbraw/zinc/67/04/70/798670470.db2.gz BKAGTYXMMQRXPB-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285131 798670473 /nfs/dbraw/zinc/67/04/73/798670473.db2.gz BKAGTYXMMQRXPB-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492440 798695047 /nfs/dbraw/zinc/69/50/47/798695047.db2.gz SMSGOJDSTQQKQC-UHFFFAOYSA-N 2 1 317.477 2.187 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592698 798710355 /nfs/dbraw/zinc/71/03/55/798710355.db2.gz AETBEWDGNMXOEA-UHFFFAOYSA-N 2 1 317.477 2.329 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699143 798724280 /nfs/dbraw/zinc/72/42/80/798724280.db2.gz BOZXRSSWVWUUQG-UHFFFAOYSA-N 2 1 310.401 2.272 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110695039 798970418 /nfs/dbraw/zinc/97/04/18/798970418.db2.gz YOXOJCKNKIFXPB-NCOADZHNSA-N 2 1 307.482 2.260 20 30 DEEDMP C=C(Cl)CN1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161942356 798973975 /nfs/dbraw/zinc/97/39/75/798973975.db2.gz RNUAOEXGJXPCNU-UHFFFAOYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161942356 798973980 /nfs/dbraw/zinc/97/39/80/798973980.db2.gz RNUAOEXGJXPCNU-UHFFFAOYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161942356 798973986 /nfs/dbraw/zinc/97/39/86/798973986.db2.gz RNUAOEXGJXPCNU-UHFFFAOYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161942356 798973993 /nfs/dbraw/zinc/97/39/93/798973993.db2.gz RNUAOEXGJXPCNU-UHFFFAOYSA-N 2 1 313.873 2.218 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862257 799511030 /nfs/dbraw/zinc/51/10/30/799511030.db2.gz FUJPVMPNJAQRMY-OAGGEKHMSA-N 2 1 305.466 2.158 20 30 DEEDMP C/C(=N\O)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001164216897 799542751 /nfs/dbraw/zinc/54/27/51/799542751.db2.gz LWTYFUYRRHLVND-XMHGGMMESA-N 2 1 304.438 2.323 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576880 800084280 /nfs/dbraw/zinc/08/42/80/800084280.db2.gz KOXORTZDYGABDP-CVEARBPZSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732218 800114697 /nfs/dbraw/zinc/11/46/97/800114697.db2.gz XMPGCFZPRNUTEB-CVEARBPZSA-N 2 1 316.449 2.175 20 30 DEEDMP Cn1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205796814 800422172 /nfs/dbraw/zinc/42/21/72/800422172.db2.gz UDIZJSCDBASRNM-AWEZNQCLSA-N 2 1 318.371 2.466 20 30 DEEDMP Cn1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205796814 800422173 /nfs/dbraw/zinc/42/21/73/800422173.db2.gz UDIZJSCDBASRNM-AWEZNQCLSA-N 2 1 318.371 2.466 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001206200079 800488534 /nfs/dbraw/zinc/48/85/34/800488534.db2.gz QBDTXQJSGCETRA-HOTGVXAUSA-N 2 1 300.381 2.311 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128851 800917597 /nfs/dbraw/zinc/91/75/97/800917597.db2.gz JHXIIMVGYFDDBY-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229691887 801306280 /nfs/dbraw/zinc/30/62/80/801306280.db2.gz BHRXUVKQWYBOAO-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183935 801348745 /nfs/dbraw/zinc/34/87/45/801348745.db2.gz UVHQZUMDYQICOR-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215722978 801898301 /nfs/dbraw/zinc/89/83/01/801898301.db2.gz OVOPVEVGHLVUEZ-HZPDHXFCSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772997 802613435 /nfs/dbraw/zinc/61/34/35/802613435.db2.gz UQOIIXKHNKBAPW-GVDBMIGSSA-N 2 1 319.493 2.216 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791626 802615872 /nfs/dbraw/zinc/61/58/72/802615872.db2.gz VPKFHOOTOHQAIP-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222967987 802754232 /nfs/dbraw/zinc/75/42/32/802754232.db2.gz DLAINUYEXMOKHZ-ZACQAIPSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)C[C@@H]21 ZINC001223200667 802772833 /nfs/dbraw/zinc/77/28/33/802772833.db2.gz PLQASHCSDPZEBL-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001223611081 802803574 /nfs/dbraw/zinc/80/35/74/802803574.db2.gz NPTCKBDTNTUOLM-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001224577398 802883650 /nfs/dbraw/zinc/88/36/50/802883650.db2.gz YTYPVEIJTVFCGN-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767294 803155055 /nfs/dbraw/zinc/15/50/55/803155055.db2.gz VGSBRKPTSWQKFG-RCCFBDPRSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227454167 803243097 /nfs/dbraw/zinc/24/30/97/803243097.db2.gz OBUCLDWCEOUWJX-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001227849442 803288312 /nfs/dbraw/zinc/28/83/12/803288312.db2.gz UMJRKPAVSQPGNW-WMZOPIPTSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001227849442 803288317 /nfs/dbraw/zinc/28/83/17/803288317.db2.gz UMJRKPAVSQPGNW-WMZOPIPTSA-N 2 1 317.477 2.019 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001228932523 803433372 /nfs/dbraw/zinc/43/33/72/803433372.db2.gz PFESNYOLAMOUQC-KZNAEPCWSA-N 2 1 319.493 2.290 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001328037861 1148704999 /nfs/dbraw/zinc/70/49/99/1148704999.db2.gz DAIAQLPRTKFIDN-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001328097741 1148719804 /nfs/dbraw/zinc/71/98/04/1148719804.db2.gz IMZZICVKAMRRKJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097741 1148719809 /nfs/dbraw/zinc/71/98/09/1148719809.db2.gz IMZZICVKAMRRKJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097741 1148719819 /nfs/dbraw/zinc/71/98/19/1148719819.db2.gz IMZZICVKAMRRKJ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001419518099 1168566876 /nfs/dbraw/zinc/56/68/76/1168566876.db2.gz XKOUSHLDBYISEY-GFCCVEGCSA-N 2 1 303.878 2.059 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001500347412 1058713969 /nfs/dbraw/zinc/71/39/69/1058713969.db2.gz FRLGDGNGXUPTPT-JZXOWHBKSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462299847 1058796172 /nfs/dbraw/zinc/79/61/72/1058796172.db2.gz YBPZFNLYRZVLHB-JZXOWHBKSA-N 2 1 306.450 2.043 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCC[C@]2(C(=O)OCC)C1 ZINC001462299847 1058796186 /nfs/dbraw/zinc/79/61/86/1058796186.db2.gz YBPZFNLYRZVLHB-JZXOWHBKSA-N 2 1 306.450 2.043 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001501179499 1059354665 /nfs/dbraw/zinc/35/46/65/1059354665.db2.gz OVMODAKMHNADEF-QBPKDAKJSA-N 2 1 307.482 2.025 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501404623 1059491207 /nfs/dbraw/zinc/49/12/07/1059491207.db2.gz SKTQUBSHYSYOLG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404623 1059491214 /nfs/dbraw/zinc/49/12/14/1059491214.db2.gz SKTQUBSHYSYOLG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501404623 1059491219 /nfs/dbraw/zinc/49/12/19/1059491219.db2.gz SKTQUBSHYSYOLG-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1 ZINC001467728790 1059693950 /nfs/dbraw/zinc/69/39/50/1059693950.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001467728790 1059693965 /nfs/dbraw/zinc/69/39/65/1059693965.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001467728790 1059693977 /nfs/dbraw/zinc/69/39/77/1059693977.db2.gz QEWRLTSBGUYADK-BRWVUGGUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001502126513 1059967000 /nfs/dbraw/zinc/96/70/00/1059967000.db2.gz ZZVSXJNXLVNZOM-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001502149832 1059996636 /nfs/dbraw/zinc/99/66/36/1059996636.db2.gz GEFOOTIXGHDXMD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001502149832 1059996655 /nfs/dbraw/zinc/99/66/55/1059996655.db2.gz GEFOOTIXGHDXMD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001502149832 1059996680 /nfs/dbraw/zinc/99/66/80/1059996680.db2.gz GEFOOTIXGHDXMD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001502149832 1059996700 /nfs/dbraw/zinc/99/67/00/1059996700.db2.gz GEFOOTIXGHDXMD-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001479669382 1061584442 /nfs/dbraw/zinc/58/44/42/1061584442.db2.gz BIIWVXDKWLTVOT-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001479739672 1061668376 /nfs/dbraw/zinc/66/83/76/1061668376.db2.gz HMNCLHUTYIQRIA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001479739672 1061668384 /nfs/dbraw/zinc/66/83/84/1061668384.db2.gz HMNCLHUTYIQRIA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001479739672 1061668393 /nfs/dbraw/zinc/66/83/93/1061668393.db2.gz HMNCLHUTYIQRIA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001480051603 1062243776 /nfs/dbraw/zinc/24/37/76/1062243776.db2.gz SQYWTLLMTWMZBP-IAGOWNOFSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001480327641 1062659571 /nfs/dbraw/zinc/65/95/71/1062659571.db2.gz IKHALIBGOBQXEN-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001480327641 1062659574 /nfs/dbraw/zinc/65/95/74/1062659574.db2.gz IKHALIBGOBQXEN-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001329140944 1148868598 /nfs/dbraw/zinc/86/85/98/1148868598.db2.gz ICQJFHYVZDIOHK-OAHLLOKOSA-N 2 1 314.433 2.208 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001493877420 1064006832 /nfs/dbraw/zinc/00/68/32/1064006832.db2.gz ZODAGOSVSDUXST-UHFFFAOYSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001493877420 1064006838 /nfs/dbraw/zinc/00/68/38/1064006838.db2.gz ZODAGOSVSDUXST-UHFFFAOYSA-N 2 1 312.845 2.161 20 30 DEEDMP C=C(Cl)CN1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001493965524 1064046349 /nfs/dbraw/zinc/04/63/49/1064046349.db2.gz VEATYLFWFBTVKJ-HNNXBMFYSA-N 2 1 324.856 2.257 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493972053 1064051723 /nfs/dbraw/zinc/05/17/23/1064051723.db2.gz SGXMVPVMUQZQLV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001493972053 1064051732 /nfs/dbraw/zinc/05/17/32/1064051732.db2.gz SGXMVPVMUQZQLV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001493972053 1064051740 /nfs/dbraw/zinc/05/17/40/1064051740.db2.gz SGXMVPVMUQZQLV-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493972049 1064052396 /nfs/dbraw/zinc/05/23/96/1064052396.db2.gz SGXMVPVMUQZQLV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001493972049 1064052407 /nfs/dbraw/zinc/05/24/07/1064052407.db2.gz SGXMVPVMUQZQLV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001493972049 1064052418 /nfs/dbraw/zinc/05/24/18/1064052418.db2.gz SGXMVPVMUQZQLV-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001567364389 1064161844 /nfs/dbraw/zinc/16/18/44/1064161844.db2.gz FZYQJQUKNMJWOR-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001567456150 1064206470 /nfs/dbraw/zinc/20/64/70/1064206470.db2.gz QNKRMAFVVGZMOY-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001567634827 1064296005 /nfs/dbraw/zinc/29/60/05/1064296005.db2.gz RNKFTTHFVYUOFZ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001567646734 1064310415 /nfs/dbraw/zinc/31/04/15/1064310415.db2.gz NNMVFYRWNMVDGN-UHFFFAOYSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701333 1064357790 /nfs/dbraw/zinc/35/77/90/1064357790.db2.gz HFQIMTGOIMAABW-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567701333 1064357798 /nfs/dbraw/zinc/35/77/98/1064357798.db2.gz HFQIMTGOIMAABW-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567701333 1064357812 /nfs/dbraw/zinc/35/78/12/1064357812.db2.gz HFQIMTGOIMAABW-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567712948 1064371540 /nfs/dbraw/zinc/37/15/40/1064371540.db2.gz SDLVCTPRTNIKFP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567712948 1064371557 /nfs/dbraw/zinc/37/15/57/1064371557.db2.gz SDLVCTPRTNIKFP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567712948 1064371564 /nfs/dbraw/zinc/37/15/64/1064371564.db2.gz SDLVCTPRTNIKFP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001567750574 1064401378 /nfs/dbraw/zinc/40/13/78/1064401378.db2.gz RGQAWTQPCFVHKY-RDJZCZTQSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001567750574 1064401382 /nfs/dbraw/zinc/40/13/82/1064401382.db2.gz RGQAWTQPCFVHKY-RDJZCZTQSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001567750574 1064401389 /nfs/dbraw/zinc/40/13/89/1064401389.db2.gz RGQAWTQPCFVHKY-RDJZCZTQSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001567833459 1064448697 /nfs/dbraw/zinc/44/86/97/1064448697.db2.gz QFANVUJCAFHJQN-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001568238031 1064723166 /nfs/dbraw/zinc/72/31/66/1064723166.db2.gz SNCIEUFWWOEFIM-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001568299987 1064763726 /nfs/dbraw/zinc/76/37/26/1064763726.db2.gz ICHVLGBTTOCBDY-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)cc1 ZINC001495487769 1064941122 /nfs/dbraw/zinc/94/11/22/1064941122.db2.gz ICDGKKHSMVBPED-ZWKOTPCHSA-N 2 1 315.461 2.309 20 30 DEEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC001495495975 1064946269 /nfs/dbraw/zinc/94/62/69/1064946269.db2.gz HYNRYXDNUHRXDZ-CQSZACIVSA-N 2 1 312.417 2.180 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001495530773 1064969667 /nfs/dbraw/zinc/96/96/67/1064969667.db2.gz GRYIRYUKJWJPIU-UHFFFAOYSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001568679317 1065045615 /nfs/dbraw/zinc/04/56/15/1065045615.db2.gz KUSBUUNGCGJQPC-NXHRZFHOSA-N 2 1 315.461 2.002 20 30 DEEDMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001496452078 1065481299 /nfs/dbraw/zinc/48/12/99/1065481299.db2.gz RMILUHKHNVVRPN-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cnc3C)C2)C1 ZINC001569480476 1065532076 /nfs/dbraw/zinc/53/20/76/1065532076.db2.gz ATPRNGAWDDZAFO-GOSISDBHSA-N 2 1 316.449 2.151 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001569672287 1065664475 /nfs/dbraw/zinc/66/44/75/1065664475.db2.gz FOQIPYBLEPNVMP-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001496844963 1065751962 /nfs/dbraw/zinc/75/19/62/1065751962.db2.gz LAJRPNCCXGWKQD-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001496844963 1065751979 /nfs/dbraw/zinc/75/19/79/1065751979.db2.gz LAJRPNCCXGWKQD-QGZVFWFLSA-N 2 1 303.450 2.256 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001496867969 1065764926 /nfs/dbraw/zinc/76/49/26/1065764926.db2.gz MNDQFRWLGIWOBL-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001496867969 1065764936 /nfs/dbraw/zinc/76/49/36/1065764936.db2.gz MNDQFRWLGIWOBL-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001496867969 1065764946 /nfs/dbraw/zinc/76/49/46/1065764946.db2.gz MNDQFRWLGIWOBL-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001569914380 1065819326 /nfs/dbraw/zinc/81/93/26/1065819326.db2.gz DVULTBZZBNHNNL-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001570375009 1066039118 /nfs/dbraw/zinc/03/91/18/1066039118.db2.gz HQJFKJNFAOVFOC-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001498900959 1066948087 /nfs/dbraw/zinc/94/80/87/1066948087.db2.gz BAYPBHYQPRLFPI-IRXDYDNUSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499574066 1067265395 /nfs/dbraw/zinc/26/53/95/1067265395.db2.gz MKNZEJKAGUXZST-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001267131928 1078604504 /nfs/dbraw/zinc/60/45/04/1078604504.db2.gz KLCQNZGZBUYHGZ-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C ZINC001267131928 1078604510 /nfs/dbraw/zinc/60/45/10/1078604510.db2.gz KLCQNZGZBUYHGZ-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001570530205 1067986842 /nfs/dbraw/zinc/98/68/42/1067986842.db2.gz GPBOWENPBAXKTQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570530205 1067986853 /nfs/dbraw/zinc/98/68/53/1067986853.db2.gz GPBOWENPBAXKTQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570530205 1067986864 /nfs/dbraw/zinc/98/68/64/1067986864.db2.gz GPBOWENPBAXKTQ-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001570547890 1067999016 /nfs/dbraw/zinc/99/90/16/1067999016.db2.gz IVVFNPCCRMWJQD-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001570550598 1068000028 /nfs/dbraw/zinc/00/00/28/1068000028.db2.gz BHTQUVOTAVDNGK-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267282213 1078728093 /nfs/dbraw/zinc/72/80/93/1078728093.db2.gz BUBGFRDZTIATCP-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001267334010 1078773532 /nfs/dbraw/zinc/77/35/32/1078773532.db2.gz UVRGZZQPUDNJJC-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC001483705822 1078831156 /nfs/dbraw/zinc/83/11/56/1078831156.db2.gz JIRHOIUUPVMUAC-IRXDYDNUSA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001481270681 1079509225 /nfs/dbraw/zinc/50/92/25/1079509225.db2.gz BIGXCNMFALCEFG-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001574672715 1069246142 /nfs/dbraw/zinc/24/61/42/1069246142.db2.gz DJUIWWDUAVPFPZ-OALUTQOASA-N 2 1 300.446 2.185 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC001574902742 1069290688 /nfs/dbraw/zinc/29/06/88/1069290688.db2.gz FGFJRPUPHRKNNH-QZTJIDSGSA-N 2 1 315.461 2.406 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001267512043 1078941305 /nfs/dbraw/zinc/94/13/05/1078941305.db2.gz ZFGSDMYYBIZHNU-UHFFFAOYSA-N 2 1 321.509 2.347 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267547587 1078978369 /nfs/dbraw/zinc/97/83/69/1078978369.db2.gz PMSNWBJJSOORSI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267547587 1078978377 /nfs/dbraw/zinc/97/83/77/1078978377.db2.gz PMSNWBJJSOORSI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267547587 1078978380 /nfs/dbraw/zinc/97/83/80/1078978380.db2.gz PMSNWBJJSOORSI-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001483811187 1079135168 /nfs/dbraw/zinc/13/51/68/1079135168.db2.gz DXCWEECFRLYUFY-SJORKVTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127656 1079226280 /nfs/dbraw/zinc/22/62/80/1079226280.db2.gz ZNFOGCIYWPVHPE-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](C(C)C)CC1 ZINC001483985382 1079226274 /nfs/dbraw/zinc/22/62/74/1079226274.db2.gz VIDRNMUIHHLGMX-KRWDZBQOSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127655 1079226379 /nfs/dbraw/zinc/22/63/79/1079226379.db2.gz ZNFOGCIYWPVHPE-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566632940 1074438169 /nfs/dbraw/zinc/43/81/69/1074438169.db2.gz HGXVZAOULOCOJL-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001484106121 1079304574 /nfs/dbraw/zinc/30/45/74/1079304574.db2.gz DLDVTEWAJZVKNQ-BQFCYCMXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001283720877 1079324488 /nfs/dbraw/zinc/32/44/88/1079324488.db2.gz GMFPJZJHRPCVHU-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001283720877 1079324493 /nfs/dbraw/zinc/32/44/93/1079324493.db2.gz GMFPJZJHRPCVHU-INIZCTEOSA-N 2 1 303.450 2.131 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001565771228 1075186974 /nfs/dbraw/zinc/18/69/74/1075186974.db2.gz HYAQOLHCUZLRKA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129398 1075233570 /nfs/dbraw/zinc/23/35/70/1075233570.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129398 1075233577 /nfs/dbraw/zinc/23/35/77/1075233577.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129398 1075233583 /nfs/dbraw/zinc/23/35/83/1075233583.db2.gz FRAYNEKLHSGADI-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001566717598 1075325585 /nfs/dbraw/zinc/32/55/85/1075325585.db2.gz RCAOYDISRMYRKQ-GOSISDBHSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566735746 1075329843 /nfs/dbraw/zinc/32/98/43/1075329843.db2.gz KGZDIJDVBHXAEH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001566735746 1075329837 /nfs/dbraw/zinc/32/98/37/1075329837.db2.gz KGZDIJDVBHXAEH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001566735746 1075329848 /nfs/dbraw/zinc/32/98/48/1075329848.db2.gz KGZDIJDVBHXAEH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267707592 1079393427 /nfs/dbraw/zinc/39/34/27/1079393427.db2.gz BNYOLZVKBMNZCP-QGZVFWFLSA-N 2 1 315.461 2.328 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001566893961 1075377251 /nfs/dbraw/zinc/37/72/51/1075377251.db2.gz SCMJKALMZHMADY-HZPDHXFCSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955383 1075398674 /nfs/dbraw/zinc/39/86/74/1075398674.db2.gz LTVMFILLBCJNTL-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566963812 1075401774 /nfs/dbraw/zinc/40/17/74/1075401774.db2.gz ZRMBBFDQVYTCMD-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001267739367 1079433482 /nfs/dbraw/zinc/43/34/82/1079433482.db2.gz BZVSMDDBOVZPLL-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001267739367 1079433485 /nfs/dbraw/zinc/43/34/85/1079433485.db2.gz BZVSMDDBOVZPLL-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001267739367 1079433487 /nfs/dbraw/zinc/43/34/87/1079433487.db2.gz BZVSMDDBOVZPLL-WMZOPIPTSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267819094 1079514356 /nfs/dbraw/zinc/51/43/56/1079514356.db2.gz ASCBZAQACCSNDK-HZPDHXFCSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484574959 1079671470 /nfs/dbraw/zinc/67/14/70/1079671470.db2.gz JSSSLJQOYBPRCX-SHTZXODSSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001484765767 1079791777 /nfs/dbraw/zinc/79/17/77/1079791777.db2.gz RCOWBQIDIAZMFC-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484811209 1079804735 /nfs/dbraw/zinc/80/47/35/1079804735.db2.gz XQMQGGQHGXVOCX-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481436153 1079842968 /nfs/dbraw/zinc/84/29/68/1079842968.db2.gz YSNXHAMXGFNGGS-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001485075476 1079961327 /nfs/dbraw/zinc/96/13/27/1079961327.db2.gz GJRZEFUUGKBHKF-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268081981 1080034766 /nfs/dbraw/zinc/03/47/66/1080034766.db2.gz YRUDUBFSZNYRQX-ZBFHGGJFSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001671648942 1080041761 /nfs/dbraw/zinc/04/17/61/1080041761.db2.gz MIJRVGVFEMCMJW-SJLPKXTDSA-N 2 1 316.449 2.074 20 30 DEEDMP CC#CCN1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001671648942 1080041772 /nfs/dbraw/zinc/04/17/72/1080041772.db2.gz MIJRVGVFEMCMJW-SJLPKXTDSA-N 2 1 316.449 2.074 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001656198558 1080063937 /nfs/dbraw/zinc/06/39/37/1080063937.db2.gz VRWNMNQBHCTJBZ-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268154791 1080127963 /nfs/dbraw/zinc/12/79/63/1080127963.db2.gz DMZFMKNHGRRRRY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001657075581 1080152182 /nfs/dbraw/zinc/15/21/82/1080152182.db2.gz FKLQQTSBYQFYPI-IRXDYDNUSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001268201395 1080188962 /nfs/dbraw/zinc/18/89/62/1080188962.db2.gz LPBQVAWHBIQLPI-KRWDZBQOSA-N 2 1 309.498 2.319 20 30 DEEDMP CN(CCC#N)c1ccc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC001658778259 1080218266 /nfs/dbraw/zinc/21/82/66/1080218266.db2.gz UUQKHGOPTQDWIG-UHOSZYNNSA-N 2 1 312.461 2.466 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001268254463 1080233086 /nfs/dbraw/zinc/23/30/86/1080233086.db2.gz RXVUZWCBKCACAS-UHFFFAOYSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001485539051 1080286903 /nfs/dbraw/zinc/28/69/03/1080286903.db2.gz GUIRLAXKPIJRHE-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001480083936 1151584969 /nfs/dbraw/zinc/58/49/69/1151584969.db2.gz IKPBHIBTTUHKOU-ROUUACIJSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494057348 1080385852 /nfs/dbraw/zinc/38/58/52/1080385852.db2.gz SMKVHADYSJROLQ-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001485767930 1080423181 /nfs/dbraw/zinc/42/31/81/1080423181.db2.gz SQYSJXWSOJOVBP-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001661035326 1080431977 /nfs/dbraw/zinc/43/19/77/1080431977.db2.gz SKHRUDPBOGUMIK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001661035326 1080431981 /nfs/dbraw/zinc/43/19/81/1080431981.db2.gz SKHRUDPBOGUMIK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661035326 1080431983 /nfs/dbraw/zinc/43/19/83/1080431983.db2.gz SKHRUDPBOGUMIK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001661035326 1080431986 /nfs/dbraw/zinc/43/19/86/1080431986.db2.gz SKHRUDPBOGUMIK-ZWKOTPCHSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547763 1080483005 /nfs/dbraw/zinc/48/30/05/1080483005.db2.gz KSKWGVDPSIDTMB-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001661467265 1080484816 /nfs/dbraw/zinc/48/48/16/1080484816.db2.gz ADOBUFMHVXXOCL-WOYTXXSLSA-N 2 1 307.482 2.308 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001661613905 1080499406 /nfs/dbraw/zinc/49/94/06/1080499406.db2.gz BFFVDKDLCZLRPS-VVLHAWIVSA-N 2 1 305.466 2.206 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039304 1080555993 /nfs/dbraw/zinc/55/59/93/1080555993.db2.gz QJVSICDGESALKW-NXHRZFHOSA-N 2 1 315.461 2.159 20 30 DEEDMP CC#CC[NH2+]C[C@@]1(NC(=O)C[N@@H+](C)C(C)C)CCCC[C@H]1C ZINC001481964829 1080656272 /nfs/dbraw/zinc/65/62/72/1080656272.db2.gz TWVYRLRFJVIKOR-AEFFLSMTSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001662868078 1080670064 /nfs/dbraw/zinc/67/00/64/1080670064.db2.gz QMHWMNLFJJSGGA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001663185464 1080716704 /nfs/dbraw/zinc/71/67/04/1080716704.db2.gz YTGLDWNKKJURFZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001663185464 1080716714 /nfs/dbraw/zinc/71/67/14/1080716714.db2.gz YTGLDWNKKJURFZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001663185464 1080716722 /nfs/dbraw/zinc/71/67/22/1080716722.db2.gz YTGLDWNKKJURFZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001663777550 1080815163 /nfs/dbraw/zinc/81/51/63/1080815163.db2.gz OQPXXMVESDSGMD-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001663777430 1080815596 /nfs/dbraw/zinc/81/55/96/1080815596.db2.gz LLGJOQAPWYCZAC-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001663777430 1080815602 /nfs/dbraw/zinc/81/56/02/1080815602.db2.gz LLGJOQAPWYCZAC-SFHVURJKSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001664442681 1080910455 /nfs/dbraw/zinc/91/04/55/1080910455.db2.gz NUQNWCUABBLHHQ-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001664510818 1080919462 /nfs/dbraw/zinc/91/94/62/1080919462.db2.gz YSJYKEYBFPZVAC-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001664859301 1080972989 /nfs/dbraw/zinc/97/29/89/1080972989.db2.gz QRKWZEPXJACBEU-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001664873637 1080975610 /nfs/dbraw/zinc/97/56/10/1080975610.db2.gz JAEUOBFHOYBKFA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001664873637 1080975613 /nfs/dbraw/zinc/97/56/13/1080975613.db2.gz JAEUOBFHOYBKFA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001664873637 1080975620 /nfs/dbraw/zinc/97/56/20/1080975620.db2.gz JAEUOBFHOYBKFA-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001666055442 1081117703 /nfs/dbraw/zinc/11/77/03/1081117703.db2.gz JWZRDZVIWDBUMD-QAPCUYQASA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001666314658 1081143051 /nfs/dbraw/zinc/14/30/51/1081143051.db2.gz JTWNAFSHEIFNOZ-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001269360906 1081227752 /nfs/dbraw/zinc/22/77/52/1081227752.db2.gz MCHDUGZLHZTJIK-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001667472491 1081254952 /nfs/dbraw/zinc/25/49/52/1081254952.db2.gz ARJBLZSBEWPUGN-IAGOWNOFSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001269558116 1081290790 /nfs/dbraw/zinc/29/07/90/1081290790.db2.gz WOUPMFNMWKWWHD-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCC)CC1 ZINC001671476917 1081518804 /nfs/dbraw/zinc/51/88/04/1081518804.db2.gz ATZMJZFNUAOCSJ-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001270486681 1081535254 /nfs/dbraw/zinc/53/52/54/1081535254.db2.gz OVISFZHSYMUVMG-NVXWUHKLSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC001482406142 1081797763 /nfs/dbraw/zinc/79/77/63/1081797763.db2.gz NYSVQHQOPFFFIF-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001279137827 1081867285 /nfs/dbraw/zinc/86/72/85/1081867285.db2.gz ZOZYXSUYAFJVRC-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001674480269 1081878675 /nfs/dbraw/zinc/87/86/75/1081878675.db2.gz FOWCPLBPMGAHQN-SJORKVTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001266390209 1082015255 /nfs/dbraw/zinc/01/52/55/1082015255.db2.gz OIVIAJDIPXITCX-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466068 1082054655 /nfs/dbraw/zinc/05/46/55/1082054655.db2.gz ILHMMLDBECXJMN-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001482508286 1082130765 /nfs/dbraw/zinc/13/07/65/1082130765.db2.gz QSBMGHJLSHPQCJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001482508286 1082130766 /nfs/dbraw/zinc/13/07/66/1082130766.db2.gz QSBMGHJLSHPQCJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001482508286 1082130767 /nfs/dbraw/zinc/13/07/67/1082130767.db2.gz QSBMGHJLSHPQCJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCC1 ZINC001671569753 1082208035 /nfs/dbraw/zinc/20/80/35/1082208035.db2.gz MZJRCGMSZPGFGN-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001266878046 1082424143 /nfs/dbraw/zinc/42/41/43/1082424143.db2.gz PDJIGKNHDQNTQY-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001505818288 1082488250 /nfs/dbraw/zinc/48/82/50/1082488250.db2.gz RHYAOEDGWUNLNG-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482833168 1082524506 /nfs/dbraw/zinc/52/45/06/1082524506.db2.gz ZEMFCLYFZJBLBU-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107597324 1083502633 /nfs/dbraw/zinc/50/26/33/1083502633.db2.gz ZGUDJHMNIBOTMS-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107597324 1083502648 /nfs/dbraw/zinc/50/26/48/1083502648.db2.gz ZGUDJHMNIBOTMS-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107597324 1083502658 /nfs/dbraw/zinc/50/26/58/1083502658.db2.gz ZGUDJHMNIBOTMS-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001277447808 1083975931 /nfs/dbraw/zinc/97/59/31/1083975931.db2.gz QZEMNJHPVNCYJI-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001277569916 1084040324 /nfs/dbraw/zinc/04/03/24/1084040324.db2.gz NPPWDABVPXCTKB-BRWVUGGUSA-N 2 1 309.498 2.413 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001670924369 1084147099 /nfs/dbraw/zinc/14/70/99/1084147099.db2.gz XELXSEPMTYFYCZ-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924369 1084147104 /nfs/dbraw/zinc/14/71/04/1084147104.db2.gz XELXSEPMTYFYCZ-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001670924369 1084147110 /nfs/dbraw/zinc/14/71/10/1084147110.db2.gz XELXSEPMTYFYCZ-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001670974097 1084179187 /nfs/dbraw/zinc/17/91/87/1084179187.db2.gz LAGCGGXFYNQCMM-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001670974097 1084179191 /nfs/dbraw/zinc/17/91/91/1084179191.db2.gz LAGCGGXFYNQCMM-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001670974097 1084179195 /nfs/dbraw/zinc/17/91/95/1084179195.db2.gz LAGCGGXFYNQCMM-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cnc2C)C1 ZINC001491302832 1084223497 /nfs/dbraw/zinc/22/34/97/1084223497.db2.gz ZDWDOZKUOQVPHL-HOCLYGCPSA-N 2 1 318.465 2.444 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001272825846 1084303084 /nfs/dbraw/zinc/30/30/84/1084303084.db2.gz JXJFWIFMWDFVFU-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259909 1084363554 /nfs/dbraw/zinc/36/35/54/1084363554.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001235259909 1084363562 /nfs/dbraw/zinc/36/35/62/1084363562.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001235259909 1084363566 /nfs/dbraw/zinc/36/35/66/1084363566.db2.gz DLDAZCVHTZQLPE-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001486156128 1085097318 /nfs/dbraw/zinc/09/73/18/1085097318.db2.gz TWGXRKOLMNARKP-SJLPKXTDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960287884 1085182943 /nfs/dbraw/zinc/18/29/43/1085182943.db2.gz IRALVHNTAPHQPD-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960287884 1085182948 /nfs/dbraw/zinc/18/29/48/1085182948.db2.gz IRALVHNTAPHQPD-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960287884 1085182951 /nfs/dbraw/zinc/18/29/51/1085182951.db2.gz IRALVHNTAPHQPD-XDNAFOTISA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960291802 1085184112 /nfs/dbraw/zinc/18/41/12/1085184112.db2.gz VHFAZJCHUUGNKC-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960291802 1085184118 /nfs/dbraw/zinc/18/41/18/1085184118.db2.gz VHFAZJCHUUGNKC-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960291802 1085184121 /nfs/dbraw/zinc/18/41/21/1085184121.db2.gz VHFAZJCHUUGNKC-VXNCWWDNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001486516498 1085386900 /nfs/dbraw/zinc/38/69/00/1085386900.db2.gz JOIVBECRJZUFIT-UHFFFAOYSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961216953 1085640891 /nfs/dbraw/zinc/64/08/91/1085640891.db2.gz BPMNSNIXNKUAFZ-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961559336 1085788040 /nfs/dbraw/zinc/78/80/40/1085788040.db2.gz OXIWSSBVKWRFID-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961559336 1085788047 /nfs/dbraw/zinc/78/80/47/1085788047.db2.gz OXIWSSBVKWRFID-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961559336 1085788056 /nfs/dbraw/zinc/78/80/56/1085788056.db2.gz OXIWSSBVKWRFID-BDXSIMOUSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961956521 1085920231 /nfs/dbraw/zinc/92/02/31/1085920231.db2.gz JAFRXGXOJILUKB-WNRNVDISSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101169 1086175683 /nfs/dbraw/zinc/17/56/83/1086175683.db2.gz OIHYJGRPJRAOJV-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662505 1087833392 /nfs/dbraw/zinc/83/33/92/1087833392.db2.gz LHSIQWXVDGGGDH-MWDXBVQZSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000957422224 1088276880 /nfs/dbraw/zinc/27/68/80/1088276880.db2.gz OJQBXMLWTUBXAI-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080191886 1088669626 /nfs/dbraw/zinc/66/96/26/1088669626.db2.gz AEDKHTKTVSPJNC-NXHRZFHOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828363 1088877184 /nfs/dbraw/zinc/87/71/84/1088877184.db2.gz BKBZHQNNMVCGFP-TWMKSMIVSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543729 1089041627 /nfs/dbraw/zinc/04/16/27/1089041627.db2.gz XSNHUKSHOAPHQK-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082783406 1090077622 /nfs/dbraw/zinc/07/76/22/1090077622.db2.gz WMRYCLURZUWIBD-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852321 1090475497 /nfs/dbraw/zinc/47/54/97/1090475497.db2.gz SLQUNIVPEWISTE-SJLPKXTDSA-N 2 1 313.445 2.081 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001410499626 1091017492 /nfs/dbraw/zinc/01/74/92/1091017492.db2.gz FUVHPTFCOILFFE-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001274382353 1091214925 /nfs/dbraw/zinc/21/49/25/1091214925.db2.gz LJEHTIXDDZTPNU-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001275129624 1091574252 /nfs/dbraw/zinc/57/42/52/1091574252.db2.gz ZEGKVIHQWHHXHX-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001275129624 1091574257 /nfs/dbraw/zinc/57/42/57/1091574257.db2.gz ZEGKVIHQWHHXHX-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001275129625 1091575080 /nfs/dbraw/zinc/57/50/80/1091575080.db2.gz ZEGKVIHQWHHXHX-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001275129625 1091575092 /nfs/dbraw/zinc/57/50/92/1091575092.db2.gz ZEGKVIHQWHHXHX-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001489338073 1093025636 /nfs/dbraw/zinc/02/56/36/1093025636.db2.gz GXSSPXYHFOEJAB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001489338073 1093025643 /nfs/dbraw/zinc/02/56/43/1093025643.db2.gz GXSSPXYHFOEJAB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001489338073 1093025650 /nfs/dbraw/zinc/02/56/50/1093025650.db2.gz GXSSPXYHFOEJAB-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCn1cnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759864 1151775718 /nfs/dbraw/zinc/77/57/18/1151775718.db2.gz HFIJXECKRRWCIF-RRFJBIMHSA-N 2 1 321.494 2.220 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001691745903 1138293168 /nfs/dbraw/zinc/29/31/68/1138293168.db2.gz VZIDSBKCXOKOIO-XDNAFOTISA-N 2 1 319.493 2.454 20 30 DEEDMP C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236974019 1138472441 /nfs/dbraw/zinc/47/24/41/1138472441.db2.gz OUIMLHLMELIBDK-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236974019 1138472447 /nfs/dbraw/zinc/47/24/47/1138472447.db2.gz OUIMLHLMELIBDK-MRXNPFEDSA-N 2 1 315.436 2.423 20 30 DEEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278268683 1138872127 /nfs/dbraw/zinc/87/21/27/1138872127.db2.gz XQBMGTXFMVNSBU-IRXDYDNUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001281967272 1139054752 /nfs/dbraw/zinc/05/47/52/1139054752.db2.gz GHQSCTAEOIYTRO-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001281967272 1139054760 /nfs/dbraw/zinc/05/47/60/1139054760.db2.gz GHQSCTAEOIYTRO-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001297373198 1139864476 /nfs/dbraw/zinc/86/44/76/1139864476.db2.gz ONSOLMRXIMMQRL-UHFFFAOYSA-N 2 1 309.498 2.321 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1=CCCCC1 ZINC001318535656 1140361040 /nfs/dbraw/zinc/36/10/40/1140361040.db2.gz CPRNHDZGWLQPFF-ROUUACIJSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1=CCCCC1 ZINC001318535656 1140361051 /nfs/dbraw/zinc/36/10/51/1140361051.db2.gz CPRNHDZGWLQPFF-ROUUACIJSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC(C)(C)C ZINC001318537042 1140361673 /nfs/dbraw/zinc/36/16/73/1140361673.db2.gz JHRDOQPZVHCLGB-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC(C)(C)C ZINC001318537042 1140361682 /nfs/dbraw/zinc/36/16/82/1140361682.db2.gz JHRDOQPZVHCLGB-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001318726739 1140394325 /nfs/dbraw/zinc/39/43/25/1140394325.db2.gz BFIGPLFLTSEGST-MOPGFXCFSA-N 2 1 319.493 2.313 20 30 DEEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001318960156 1140480475 /nfs/dbraw/zinc/48/04/75/1140480475.db2.gz ZPHLUKVTPMHJQU-WKILWMFISA-N 2 1 319.493 2.290 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001319085079 1140501939 /nfs/dbraw/zinc/50/19/39/1140501939.db2.gz KSRRCPQLQHLTAA-QGZVFWFLSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001319859853 1140770817 /nfs/dbraw/zinc/77/08/17/1140770817.db2.gz CBWGDGPRWLPOLC-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246047027 1140852889 /nfs/dbraw/zinc/85/28/89/1140852889.db2.gz BYIAZBDQJUEEFJ-QZTJIDSGSA-N 2 1 311.514 2.205 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001321990294 1141377557 /nfs/dbraw/zinc/37/75/57/1141377557.db2.gz GKMYCUWHIGJBIV-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252481603 1142730037 /nfs/dbraw/zinc/73/00/37/1142730037.db2.gz DJBWFRXDMWQHSZ-QXAKKESOSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252481603 1142730047 /nfs/dbraw/zinc/73/00/47/1142730047.db2.gz DJBWFRXDMWQHSZ-QXAKKESOSA-N 2 1 318.461 2.193 20 30 DEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559298 1142765811 /nfs/dbraw/zinc/76/58/11/1142765811.db2.gz VFBMYSSRKGEMQX-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559298 1142765820 /nfs/dbraw/zinc/76/58/20/1142765820.db2.gz VFBMYSSRKGEMQX-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559298 1142765824 /nfs/dbraw/zinc/76/58/24/1142765824.db2.gz VFBMYSSRKGEMQX-FHWLQOOXSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559301 1142765854 /nfs/dbraw/zinc/76/58/54/1142765854.db2.gz VFBMYSSRKGEMQX-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559301 1142765860 /nfs/dbraw/zinc/76/58/60/1142765860.db2.gz VFBMYSSRKGEMQX-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001252559301 1142765865 /nfs/dbraw/zinc/76/58/65/1142765865.db2.gz VFBMYSSRKGEMQX-QYZOEREBSA-N 2 1 300.446 2.377 20 30 DEEDMP N#C[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930133 1142831673 /nfs/dbraw/zinc/83/16/73/1142831673.db2.gz NXYXSGPBCZIKIX-HKUYNNGSSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930133 1142831674 /nfs/dbraw/zinc/83/16/74/1142831674.db2.gz NXYXSGPBCZIKIX-HKUYNNGSSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252930133 1142831676 /nfs/dbraw/zinc/83/16/76/1142831676.db2.gz NXYXSGPBCZIKIX-HKUYNNGSSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252930133 1142831677 /nfs/dbraw/zinc/83/16/77/1142831677.db2.gz NXYXSGPBCZIKIX-HKUYNNGSSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930134 1142831703 /nfs/dbraw/zinc/83/17/03/1142831703.db2.gz NXYXSGPBCZIKIX-IEBWSBKVSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001252930134 1142831705 /nfs/dbraw/zinc/83/17/05/1142831705.db2.gz NXYXSGPBCZIKIX-IEBWSBKVSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252930134 1142831707 /nfs/dbraw/zinc/83/17/07/1142831707.db2.gz NXYXSGPBCZIKIX-IEBWSBKVSA-N 2 1 313.445 2.249 20 30 DEEDMP N#C[C@@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252930134 1142831708 /nfs/dbraw/zinc/83/17/08/1142831708.db2.gz NXYXSGPBCZIKIX-IEBWSBKVSA-N 2 1 313.445 2.249 20 30 DEEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662226 1143303107 /nfs/dbraw/zinc/30/31/07/1143303107.db2.gz DFMLVEPFSYSWKM-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662226 1143303114 /nfs/dbraw/zinc/30/31/14/1143303114.db2.gz DFMLVEPFSYSWKM-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662226 1143303126 /nfs/dbraw/zinc/30/31/26/1143303126.db2.gz DFMLVEPFSYSWKM-AKHDSKFASA-N 2 1 317.477 2.359 20 30 DEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001261437565 1144247093 /nfs/dbraw/zinc/24/70/93/1144247093.db2.gz FRXFZVDSGTUTCK-KRWDZBQOSA-N 2 1 314.433 2.351 20 30 DEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001261437565 1144247097 /nfs/dbraw/zinc/24/70/97/1144247097.db2.gz FRXFZVDSGTUTCK-KRWDZBQOSA-N 2 1 314.433 2.351 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032294 1144445498 /nfs/dbraw/zinc/44/54/98/1144445498.db2.gz JRLFSQGINOOWOP-PVAVHDDUSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032294 1144445504 /nfs/dbraw/zinc/44/55/04/1144445504.db2.gz JRLFSQGINOOWOP-PVAVHDDUSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264032294 1144445512 /nfs/dbraw/zinc/44/55/12/1144445512.db2.gz JRLFSQGINOOWOP-PVAVHDDUSA-N 2 1 307.482 2.118 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001264373062 1144517574 /nfs/dbraw/zinc/51/75/74/1144517574.db2.gz QWOXHEZFEADPQK-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001264656015 1144587057 /nfs/dbraw/zinc/58/70/57/1144587057.db2.gz XJUQTFSCZOZRPV-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264656015 1144587058 /nfs/dbraw/zinc/58/70/58/1144587058.db2.gz XJUQTFSCZOZRPV-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001264656015 1144587060 /nfs/dbraw/zinc/58/70/60/1144587060.db2.gz XJUQTFSCZOZRPV-KURKYZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265453960 1144704902 /nfs/dbraw/zinc/70/49/02/1144704902.db2.gz BHSFELSPUKOUDG-DLBZAZTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001265526386 1144709144 /nfs/dbraw/zinc/70/91/44/1144709144.db2.gz ZNQZZEIGRCYCGS-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586558 1144715239 /nfs/dbraw/zinc/71/52/39/1144715239.db2.gz JQLDKNQILLUVSW-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586558 1144715240 /nfs/dbraw/zinc/71/52/40/1144715240.db2.gz JQLDKNQILLUVSW-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265613548 1144718166 /nfs/dbraw/zinc/71/81/66/1144718166.db2.gz QVKZAKJTIHHJDV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001265621489 1144718872 /nfs/dbraw/zinc/71/88/72/1144718872.db2.gz KZQKLCAVNADJBB-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265635230 1144720037 /nfs/dbraw/zinc/72/00/37/1144720037.db2.gz SFJSLQBYDCFECC-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266070547 1144802572 /nfs/dbraw/zinc/80/25/72/1144802572.db2.gz CJFUPOBCGSKHNW-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001280308903 1144835372 /nfs/dbraw/zinc/83/53/72/1144835372.db2.gz WNHBTVHYWUWQET-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001281429967 1144889063 /nfs/dbraw/zinc/88/90/63/1144889063.db2.gz MKZZCDXGWXGZIA-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819702 1145171072 /nfs/dbraw/zinc/17/10/72/1145171072.db2.gz DPWMNJOHDALGFL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819702 1145171077 /nfs/dbraw/zinc/17/10/77/1145171077.db2.gz DPWMNJOHDALGFL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001282819702 1145171080 /nfs/dbraw/zinc/17/10/80/1145171080.db2.gz DPWMNJOHDALGFL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001283442595 1145423806 /nfs/dbraw/zinc/42/38/06/1145423806.db2.gz XNWZWUIARJCJIT-IAGOWNOFSA-N 2 1 307.482 2.003 20 30 DEEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001283666282 1145570905 /nfs/dbraw/zinc/57/09/05/1145570905.db2.gz QFUSCIRFBUGPOC-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001283666279 1145571414 /nfs/dbraw/zinc/57/14/14/1145571414.db2.gz QFUSCIRFBUGPOC-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001284720068 1145894926 /nfs/dbraw/zinc/89/49/26/1145894926.db2.gz VFMDRQMILHOYSK-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001366234749 1147145942 /nfs/dbraw/zinc/14/59/42/1147145942.db2.gz XTKKNNFQFBPWGC-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001366288165 1147193779 /nfs/dbraw/zinc/19/37/79/1147193779.db2.gz OODVVXUQNYEIIE-UKRRQHHQSA-N 2 1 313.873 2.240 20 30 DEEDMP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316680196 1147300623 /nfs/dbraw/zinc/30/06/23/1147300623.db2.gz PTDXXNFXQNODTJ-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001317006619 1147578303 /nfs/dbraw/zinc/57/83/03/1147578303.db2.gz QUFAZFSMZLNIDU-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317045503 1147652220 /nfs/dbraw/zinc/65/22/20/1147652220.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317045503 1147652222 /nfs/dbraw/zinc/65/22/22/1147652222.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317045503 1147652224 /nfs/dbraw/zinc/65/22/24/1147652224.db2.gz QXWGCWLTBLULRD-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317047449 1147653111 /nfs/dbraw/zinc/65/31/11/1147653111.db2.gz UXARARRVDLQGRY-BBWFWOEESA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001317367871 1147697100 /nfs/dbraw/zinc/69/71/00/1147697100.db2.gz BIPXYSHBXVICNO-GOSISDBHSA-N 2 1 315.461 2.105 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317461825 1147712182 /nfs/dbraw/zinc/71/21/82/1147712182.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001317461825 1147712183 /nfs/dbraw/zinc/71/21/83/1147712183.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317461825 1147712184 /nfs/dbraw/zinc/71/21/84/1147712184.db2.gz RPHOUFUMUIELCC-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001317513586 1147718038 /nfs/dbraw/zinc/71/80/38/1147718038.db2.gz MVBSMDCZPBXTRF-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317528057 1147720650 /nfs/dbraw/zinc/72/06/50/1147720650.db2.gz GKYAQXLOQFIGNA-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317528057 1147720651 /nfs/dbraw/zinc/72/06/51/1147720651.db2.gz GKYAQXLOQFIGNA-OAHLLOKOSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317791159 1147752697 /nfs/dbraw/zinc/75/26/97/1147752697.db2.gz ZYGKJXWQRPNOCY-HZPDHXFCSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317791159 1147752699 /nfs/dbraw/zinc/75/26/99/1147752699.db2.gz ZYGKJXWQRPNOCY-HZPDHXFCSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317791158 1147752876 /nfs/dbraw/zinc/75/28/76/1147752876.db2.gz ZYGKJXWQRPNOCY-HOTGVXAUSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317791158 1147752877 /nfs/dbraw/zinc/75/28/77/1147752877.db2.gz ZYGKJXWQRPNOCY-HOTGVXAUSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001317884316 1147760311 /nfs/dbraw/zinc/76/03/11/1147760311.db2.gz NLWCOYJBPADDAF-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001324943423 1147861199 /nfs/dbraw/zinc/86/11/99/1147861199.db2.gz HYMCLAURPNMLHD-GOSISDBHSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001325946935 1148022821 /nfs/dbraw/zinc/02/28/21/1148022821.db2.gz WCQXWUXJLZYTNP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001325946935 1148022824 /nfs/dbraw/zinc/02/28/24/1148022824.db2.gz WCQXWUXJLZYTNP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001325946935 1148022828 /nfs/dbraw/zinc/02/28/28/1148022828.db2.gz WCQXWUXJLZYTNP-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000266985714 530062765 /nfs/dbraw/zinc/06/27/65/530062765.db2.gz QJLLFVITSICZAP-ZDUSSCGKSA-N 2 1 314.355 2.204 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727340 198376532 /nfs/dbraw/zinc/37/65/32/198376532.db2.gz LZCRCEYUOVFZAE-INIZCTEOSA-N 2 1 300.450 2.189 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319201 248261096 /nfs/dbraw/zinc/26/10/96/248261096.db2.gz KREGFQAPMGAWAR-QGZVFWFLSA-N 2 1 322.497 2.151 20 30 DEEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000113328767 401776807 /nfs/dbraw/zinc/77/68/07/401776807.db2.gz MWPSSUGQNUFRTJ-UHFFFAOYSA-N 2 1 316.445 2.289 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000134119362 401899718 /nfs/dbraw/zinc/89/97/18/401899718.db2.gz XOUQHIKNTKVARS-OAHLLOKOSA-N 2 1 318.465 2.077 20 30 DEEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181704 402199818 /nfs/dbraw/zinc/19/98/18/402199818.db2.gz PATJGWUKYYXIDP-KRWDZBQOSA-N 2 1 302.466 2.255 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158335342 402304512 /nfs/dbraw/zinc/30/45/12/402304512.db2.gz WOCGIDOCMATEPP-FZMZJTMJSA-N 2 1 323.510 2.154 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000249402924 402628569 /nfs/dbraw/zinc/62/85/69/402628569.db2.gz VOBSICUXFPAQJU-VQIMIIECSA-N 2 1 312.461 2.331 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000295049376 403743353 /nfs/dbraw/zinc/74/33/53/403743353.db2.gz QDYNAWPEXGKSPU-AWEZNQCLSA-N 2 1 305.397 2.088 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000295049376 403743356 /nfs/dbraw/zinc/74/33/56/403743356.db2.gz QDYNAWPEXGKSPU-AWEZNQCLSA-N 2 1 305.397 2.088 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000361768056 403853699 /nfs/dbraw/zinc/85/36/99/403853699.db2.gz YEQKLRWTRKHEKQ-WBVHZDCISA-N 2 1 322.497 2.151 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000328108582 404105607 /nfs/dbraw/zinc/10/56/07/404105607.db2.gz NIZOHNIZWSPGPZ-CVEARBPZSA-N 2 1 323.481 2.367 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000328108582 404105614 /nfs/dbraw/zinc/10/56/14/404105614.db2.gz NIZOHNIZWSPGPZ-CVEARBPZSA-N 2 1 323.481 2.367 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358797780 404775997 /nfs/dbraw/zinc/77/59/97/404775997.db2.gz XTXQLUZFVYDXRN-JKSUJKDBSA-N 2 1 322.497 2.199 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000435760455 405011976 /nfs/dbraw/zinc/01/19/76/405011976.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000435760455 405011979 /nfs/dbraw/zinc/01/19/79/405011979.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000435760455 405011983 /nfs/dbraw/zinc/01/19/83/405011983.db2.gz CAMPXXMLSSPWIO-SJLPKXTDSA-N 2 1 318.461 2.038 20 30 DEEDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424150209 405023891 /nfs/dbraw/zinc/02/38/91/405023891.db2.gz YKJUALFHNREFGE-GJZGRUSLSA-N 2 1 308.470 2.024 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419291879 405236226 /nfs/dbraw/zinc/23/62/26/405236226.db2.gz LYUXEIQDYGIGFY-OAHLLOKOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420977787 405419979 /nfs/dbraw/zinc/41/99/79/405419979.db2.gz SGKYJVQFIVCERH-MOPGFXCFSA-N 2 1 316.445 2.342 20 30 DEEDMP N#Cc1csc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000532016127 406034449 /nfs/dbraw/zinc/03/44/49/406034449.db2.gz BIYMZZLENXSPDJ-HOTGVXAUSA-N 2 1 305.447 2.087 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000491210422 406544820 /nfs/dbraw/zinc/54/48/20/406544820.db2.gz UCAZJNLCEKDWCS-UHFFFAOYSA-N 2 1 308.466 2.432 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000491210422 406544824 /nfs/dbraw/zinc/54/48/24/406544824.db2.gz UCAZJNLCEKDWCS-UHFFFAOYSA-N 2 1 308.466 2.432 20 30 DEEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000641767387 406887792 /nfs/dbraw/zinc/88/77/92/406887792.db2.gz JWMGUXSJAFFUBX-IBGZPJMESA-N 2 1 300.446 2.057 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001422934491 1172956465 /nfs/dbraw/zinc/95/64/65/1172956465.db2.gz UTDUIPRZSDWYCD-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001422934491 1172956468 /nfs/dbraw/zinc/95/64/68/1172956468.db2.gz UTDUIPRZSDWYCD-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001422934491 1172956471 /nfs/dbraw/zinc/95/64/71/1172956471.db2.gz UTDUIPRZSDWYCD-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC(C)(C)C)c2)CCO1 ZINC000264123809 225308429 /nfs/dbraw/zinc/30/84/29/225308429.db2.gz VSZNMFSAPZWZAW-CQSZACIVSA-N 2 1 318.465 2.110 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC(C)(C)C)c2)CCO1 ZINC000264123809 225308433 /nfs/dbraw/zinc/30/84/33/225308433.db2.gz VSZNMFSAPZWZAW-CQSZACIVSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890964 782024794 /nfs/dbraw/zinc/02/47/94/782024794.db2.gz VWZNILXPRHVEJD-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088890964 782024803 /nfs/dbraw/zinc/02/48/03/782024803.db2.gz VWZNILXPRHVEJD-CABCVRRESA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000655940579 425691639 /nfs/dbraw/zinc/69/16/39/425691639.db2.gz CXQKSDCBFWWKLI-CVEARBPZSA-N 2 1 303.454 2.066 20 30 DEEDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427812 277051655 /nfs/dbraw/zinc/05/16/55/277051655.db2.gz PFDOHIDAYIEEKE-LJQANCHMSA-N 2 1 312.461 2.163 20 30 DEEDMP CNC(NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)=[NH+]C ZINC000264095126 290332032 /nfs/dbraw/zinc/33/20/32/290332032.db2.gz MKIQFAYRVQHOOC-HNNXBMFYSA-N 2 1 304.438 2.017 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971287 782089827 /nfs/dbraw/zinc/08/98/27/782089827.db2.gz JLHACPNGOFBGGR-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001378716424 1152422219 /nfs/dbraw/zinc/42/22/19/1152422219.db2.gz OWQLRGIQZZEGCK-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000268111211 533989456 /nfs/dbraw/zinc/98/94/56/533989456.db2.gz ZCEAVFXUOIJJQL-AWEZNQCLSA-N 2 1 304.438 2.400 20 30 DEEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCCCC1 ZINC000338319685 526270977 /nfs/dbraw/zinc/27/09/77/526270977.db2.gz VVAPKFKFLXURLN-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1CCCCC1 ZINC000338319685 526270984 /nfs/dbraw/zinc/27/09/84/526270984.db2.gz VVAPKFKFLXURLN-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)NC1CC1 ZINC000264087759 526380868 /nfs/dbraw/zinc/38/08/68/526380868.db2.gz VYGXIANLWPAUFG-UHFFFAOYSA-N 2 1 301.369 2.147 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000264748242 526414198 /nfs/dbraw/zinc/41/41/98/526414198.db2.gz ALGIRNWCRQZUCM-HNNXBMFYSA-N 2 1 314.433 2.465 20 30 DEEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264748242 526414205 /nfs/dbraw/zinc/41/42/05/526414205.db2.gz ALGIRNWCRQZUCM-HNNXBMFYSA-N 2 1 314.433 2.465 20 30 DEEDMP C=CCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248403242 526575450 /nfs/dbraw/zinc/57/54/50/526575450.db2.gz XQXNESIQWYRJQK-MNZLEMJZSA-N 2 1 315.461 2.035 20 30 DEEDMP C=CCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248403242 526575455 /nfs/dbraw/zinc/57/54/55/526575455.db2.gz XQXNESIQWYRJQK-MNZLEMJZSA-N 2 1 315.461 2.035 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295006158 526826814 /nfs/dbraw/zinc/82/68/14/526826814.db2.gz MJEMMZPRQPHVPG-KRWDZBQOSA-N 2 1 315.417 2.461 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295006158 526826819 /nfs/dbraw/zinc/82/68/19/526826819.db2.gz MJEMMZPRQPHVPG-KRWDZBQOSA-N 2 1 315.417 2.461 20 30 DEEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248481379 527210706 /nfs/dbraw/zinc/21/07/06/527210706.db2.gz BEHRQUXHXZLWQE-AKHDSKFASA-N 2 1 300.446 2.424 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001368730516 1148622381 /nfs/dbraw/zinc/62/23/81/1148622381.db2.gz IRRKTJAIZFZFDX-GJZGRUSLSA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001369785924 1149191505 /nfs/dbraw/zinc/19/15/05/1149191505.db2.gz FBZKAUSEUQLMLN-OAHLLOKOSA-N 2 1 315.889 2.248 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554205 625323833 /nfs/dbraw/zinc/32/38/33/625323833.db2.gz HLNWYEQWMGXFRF-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554205 625323835 /nfs/dbraw/zinc/32/38/35/625323835.db2.gz HLNWYEQWMGXFRF-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554205 625323839 /nfs/dbraw/zinc/32/38/39/625323839.db2.gz HLNWYEQWMGXFRF-ULQDDVLXSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559544 625326581 /nfs/dbraw/zinc/32/65/81/625326581.db2.gz ATTZINPGIDADOQ-HNNXBMFYSA-N 2 1 319.449 2.359 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023633501 625363301 /nfs/dbraw/zinc/36/33/01/625363301.db2.gz ZGUYFFNOOHWBTK-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632926 625365056 /nfs/dbraw/zinc/36/50/56/625365056.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632926 625365057 /nfs/dbraw/zinc/36/50/57/625365057.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632926 625365059 /nfs/dbraw/zinc/36/50/59/625365059.db2.gz RXEXBWROXDAGKX-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525725 625502328 /nfs/dbraw/zinc/50/23/28/625502328.db2.gz RLOZHOMZTPLFCS-WBVHZDCISA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001026561045 625523207 /nfs/dbraw/zinc/52/32/07/625523207.db2.gz MBLIJQPQWKFUJM-NFOMZHRRSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000969708500 622891022 /nfs/dbraw/zinc/89/10/22/622891022.db2.gz ZVXDHLSGGSJCJA-HYVNUMGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836297 622941702 /nfs/dbraw/zinc/94/17/02/622941702.db2.gz KVXYHZHAHZCBJN-ZBFHGGJFSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082220 624194520 /nfs/dbraw/zinc/19/45/20/624194520.db2.gz XPUQLZBLRCXDLP-HRCADAONSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971683048 624505000 /nfs/dbraw/zinc/50/50/00/624505000.db2.gz SCFIMMKSOCNGDM-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683048 624505001 /nfs/dbraw/zinc/50/50/01/624505001.db2.gz SCFIMMKSOCNGDM-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971683048 624505002 /nfs/dbraw/zinc/50/50/02/624505002.db2.gz SCFIMMKSOCNGDM-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763160 634398809 /nfs/dbraw/zinc/39/88/09/634398809.db2.gz LUQDQBPMTJXSPF-NRXISQOPSA-N 2 1 313.873 2.191 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023411010 625258446 /nfs/dbraw/zinc/25/84/46/625258446.db2.gz YUUUYGWVYVLPAF-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411010 625258450 /nfs/dbraw/zinc/25/84/50/625258450.db2.gz YUUUYGWVYVLPAF-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411010 625258458 /nfs/dbraw/zinc/25/84/58/625258458.db2.gz YUUUYGWVYVLPAF-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411837 625259628 /nfs/dbraw/zinc/25/96/28/625259628.db2.gz JUGDZHQCNDALSV-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411837 625259631 /nfs/dbraw/zinc/25/96/31/625259631.db2.gz JUGDZHQCNDALSV-HZPDHXFCSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436423 625762782 /nfs/dbraw/zinc/76/27/82/625762782.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436423 625762789 /nfs/dbraw/zinc/76/27/89/625762789.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436423 625762792 /nfs/dbraw/zinc/76/27/92/625762792.db2.gz CVUBSWDMPQRPKY-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024469519 625799795 /nfs/dbraw/zinc/79/97/95/625799795.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024469519 625799801 /nfs/dbraw/zinc/79/98/01/625799801.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024469519 625799808 /nfs/dbraw/zinc/79/98/08/625799808.db2.gz SBARDBMMEHPACM-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503296 625821715 /nfs/dbraw/zinc/82/17/15/625821715.db2.gz ZJRGIUIHDWVENR-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615267 625863264 /nfs/dbraw/zinc/86/32/64/625863264.db2.gz HBSWICWKWCJMDU-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974660768 633205258 /nfs/dbraw/zinc/20/52/58/633205258.db2.gz WACIEURZFRANGY-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996479077 633265411 /nfs/dbraw/zinc/26/54/11/633265411.db2.gz VMVWATQYMGOXTK-WBVHZDCISA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975114866 633429377 /nfs/dbraw/zinc/42/93/77/633429377.db2.gz XHWVNTSJXWYBAR-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975114866 633429378 /nfs/dbraw/zinc/42/93/78/633429378.db2.gz XHWVNTSJXWYBAR-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588059 633888393 /nfs/dbraw/zinc/88/83/93/633888393.db2.gz VFEKNXXUQJEVDT-WMZOPIPTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997640906 633908417 /nfs/dbraw/zinc/90/84/17/633908417.db2.gz BAZNPTLCIRRYAH-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997871832 634015897 /nfs/dbraw/zinc/01/58/97/634015897.db2.gz PLICYHLYWHHSFL-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977623762 634076657 /nfs/dbraw/zinc/07/66/57/634076657.db2.gz VXTUNSBAQGRKAK-QGZVFWFLSA-N 2 1 315.461 2.374 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555128 634112664 /nfs/dbraw/zinc/11/26/64/634112664.db2.gz DRUNTAPSTBCERB-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555128 634112669 /nfs/dbraw/zinc/11/26/69/634112669.db2.gz DRUNTAPSTBCERB-OAHLLOKOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438169 635482968 /nfs/dbraw/zinc/48/29/68/635482968.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438169 635482971 /nfs/dbraw/zinc/48/29/71/635482971.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438169 635482974 /nfs/dbraw/zinc/48/29/74/635482974.db2.gz KGVMEFNZMRLUIE-IAGOWNOFSA-N 2 1 305.466 2.114 20 30 DEEDMP CC#CCN1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981509900 635509395 /nfs/dbraw/zinc/50/93/95/635509395.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981509900 635509398 /nfs/dbraw/zinc/50/93/98/635509398.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981509900 635509401 /nfs/dbraw/zinc/50/94/01/635509401.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981509900 635509407 /nfs/dbraw/zinc/50/94/07/635509407.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981509900 635509412 /nfs/dbraw/zinc/50/94/12/635509412.db2.gz GLFXCMNTOVEEDM-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805704 635662461 /nfs/dbraw/zinc/66/24/61/635662461.db2.gz ICECMSBTZUOTJN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805704 635662463 /nfs/dbraw/zinc/66/24/63/635662463.db2.gz ICECMSBTZUOTJN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805704 635662467 /nfs/dbraw/zinc/66/24/67/635662467.db2.gz ICECMSBTZUOTJN-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981821834 635668304 /nfs/dbraw/zinc/66/83/04/635668304.db2.gz DMJHTSDJSGZISF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981821834 635668308 /nfs/dbraw/zinc/66/83/08/635668308.db2.gz DMJHTSDJSGZISF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981821834 635668311 /nfs/dbraw/zinc/66/83/11/635668311.db2.gz DMJHTSDJSGZISF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028204671 635822325 /nfs/dbraw/zinc/82/23/25/635822325.db2.gz BAOWUIIPCLDNIT-KRWDZBQOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253921 635964355 /nfs/dbraw/zinc/96/43/55/635964355.db2.gz JHVBVGUHAYQAOZ-GOSISDBHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003742720 636045113 /nfs/dbraw/zinc/04/51/13/636045113.db2.gz ZSVFTQZTVCGXEY-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001028288175 636059063 /nfs/dbraw/zinc/05/90/63/636059063.db2.gz BNCJZIXYWJEYQJ-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001028288175 636059064 /nfs/dbraw/zinc/05/90/64/636059064.db2.gz BNCJZIXYWJEYQJ-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001028288175 636059067 /nfs/dbraw/zinc/05/90/67/636059067.db2.gz BNCJZIXYWJEYQJ-AEFFLSMTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028335463 636135932 /nfs/dbraw/zinc/13/59/32/636135932.db2.gz VVNJTMMOMNINGG-INIZCTEOSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982507546 636194232 /nfs/dbraw/zinc/19/42/32/636194232.db2.gz ONCDPTFAQVUGJX-KDURUIRLSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982520299 636216605 /nfs/dbraw/zinc/21/66/05/636216605.db2.gz QFVVMSJQGHRIBB-QRQLOZEOSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000982683443 636365225 /nfs/dbraw/zinc/36/52/25/636365225.db2.gz RIBHQRSAKOHVCO-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004458813 636459692 /nfs/dbraw/zinc/45/96/92/636459692.db2.gz QWKSIFYPNHJZAM-MSOLQXFVSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004616621 636503730 /nfs/dbraw/zinc/50/37/30/636503730.db2.gz LJSNPFAORGABMS-QGZVFWFLSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004616621 636503735 /nfs/dbraw/zinc/50/37/35/636503735.db2.gz LJSNPFAORGABMS-QGZVFWFLSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624873 636510663 /nfs/dbraw/zinc/51/06/63/636510663.db2.gz IVMDHKZPCMKEHM-KRWDZBQOSA-N 2 1 319.493 2.267 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754362 636700877 /nfs/dbraw/zinc/70/08/77/636700877.db2.gz CXHNUZBLERIWAO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754362 636700882 /nfs/dbraw/zinc/70/08/82/636700882.db2.gz CXHNUZBLERIWAO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754362 636700884 /nfs/dbraw/zinc/70/08/84/636700884.db2.gz CXHNUZBLERIWAO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805301 636749688 /nfs/dbraw/zinc/74/96/88/636749688.db2.gz MPDQEQHSNRASIK-QGZVFWFLSA-N 2 1 315.461 2.028 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901320 636830743 /nfs/dbraw/zinc/83/07/43/636830743.db2.gz AFNJUXZZBITKKX-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028919044 636851053 /nfs/dbraw/zinc/85/10/53/636851053.db2.gz PVJKNNVJHRKGCX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919044 636851056 /nfs/dbraw/zinc/85/10/56/636851056.db2.gz PVJKNNVJHRKGCX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028919044 636851058 /nfs/dbraw/zinc/85/10/58/636851058.db2.gz PVJKNNVJHRKGCX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934376 636870613 /nfs/dbraw/zinc/87/06/13/636870613.db2.gz CZPAUYFJJYISCF-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934376 636870619 /nfs/dbraw/zinc/87/06/19/636870619.db2.gz CZPAUYFJJYISCF-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934376 636870626 /nfs/dbraw/zinc/87/06/26/636870626.db2.gz CZPAUYFJJYISCF-HNNXBMFYSA-N 2 1 316.449 2.166 20 30 DEEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261986759 636966168 /nfs/dbraw/zinc/96/61/68/636966168.db2.gz KEYOVEFANZACHD-INIZCTEOSA-N 2 1 300.450 2.178 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863283 637272206 /nfs/dbraw/zinc/27/22/06/637272206.db2.gz WFPSVSVQSDZQBU-HNNXBMFYSA-N 2 1 304.434 2.267 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000894863283 637272211 /nfs/dbraw/zinc/27/22/11/637272211.db2.gz WFPSVSVQSDZQBU-HNNXBMFYSA-N 2 1 304.434 2.267 20 30 DEEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000985746404 639612727 /nfs/dbraw/zinc/61/27/27/639612727.db2.gz LEKKOAJRBNVHCJ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000985746404 639612730 /nfs/dbraw/zinc/61/27/30/639612730.db2.gz LEKKOAJRBNVHCJ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000985746404 639612734 /nfs/dbraw/zinc/61/27/34/639612734.db2.gz LEKKOAJRBNVHCJ-SFHVURJKSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCCCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000773302209 641755818 /nfs/dbraw/zinc/75/58/18/641755818.db2.gz KVZIFURDKQIHNQ-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(COC(C)=O)c1 ZINC000903178807 643278273 /nfs/dbraw/zinc/27/82/73/643278273.db2.gz YDTDTPBRKCUAJC-HNNXBMFYSA-N 2 1 302.418 2.355 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(COC(C)=O)c1 ZINC000903178807 643278276 /nfs/dbraw/zinc/27/82/76/643278276.db2.gz YDTDTPBRKCUAJC-HNNXBMFYSA-N 2 1 302.418 2.355 20 30 DEEDMP C[C@@]1(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCC[NH2+]C1 ZINC000904388394 643650493 /nfs/dbraw/zinc/65/04/93/643650493.db2.gz ILFDWZNLOXFZDV-SJLPKXTDSA-N 2 1 313.449 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906598008 644299976 /nfs/dbraw/zinc/29/99/76/644299976.db2.gz SNOVCERDSOJTMK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000907403128 644532260 /nfs/dbraw/zinc/53/22/60/644532260.db2.gz DOZCWQLGVKSFAQ-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC000908011691 644721174 /nfs/dbraw/zinc/72/11/74/644721174.db2.gz PGWTYSIXMAFKPA-GOSISDBHSA-N 2 1 315.461 2.230 20 30 DEEDMP CCN(CC)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cc1 ZINC000799489802 645179952 /nfs/dbraw/zinc/17/99/52/645179952.db2.gz CYBXDODYPIZHEN-UHFFFAOYSA-N 2 1 318.465 2.179 20 30 DEEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3C)CCC[C@@H]12 ZINC000991501129 646431923 /nfs/dbraw/zinc/43/19/23/646431923.db2.gz GYZKNJCGKJUFFR-MJGOQNOKSA-N 2 1 322.412 2.003 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171295 646884402 /nfs/dbraw/zinc/88/44/02/646884402.db2.gz XIOCPELGJNQNCL-APWZRJJASA-N 2 1 319.493 2.408 20 30 DEEDMP c1cc2c3c(c1)C(=[NH+]NCCC[NH+]1CCOCC1)CC[C@@H]3CN2 ZINC000814923947 646946968 /nfs/dbraw/zinc/94/69/68/646946968.db2.gz RLGBNVGAJZJJBX-CQSZACIVSA-N 2 1 314.433 2.006 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC000992446235 647012278 /nfs/dbraw/zinc/01/22/78/647012278.db2.gz MEMJMEIDCXPUID-SJLPKXTDSA-N 2 1 316.449 2.340 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993325185 647605876 /nfs/dbraw/zinc/60/58/76/647605876.db2.gz HPPBKJPFIIBDLQ-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993805953 647747472 /nfs/dbraw/zinc/74/74/72/647747472.db2.gz NTQVHQZRTAYNAF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805953 647747476 /nfs/dbraw/zinc/74/74/76/647747476.db2.gz NTQVHQZRTAYNAF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993805953 647747478 /nfs/dbraw/zinc/74/74/78/647747478.db2.gz NTQVHQZRTAYNAF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994078209 647785343 /nfs/dbraw/zinc/78/53/43/647785343.db2.gz HBBVKONIJSGSQZ-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052289 649143182 /nfs/dbraw/zinc/14/31/82/649143182.db2.gz DVUNPHUYXSRTSV-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098934 649156713 /nfs/dbraw/zinc/15/67/13/649156713.db2.gz DHGQYFCXVOULQQ-HIFRSBDPSA-N 2 1 321.490 2.436 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942172377 649174102 /nfs/dbraw/zinc/17/41/02/649174102.db2.gz JSBZRMCHUOWKBT-IAGOWNOFSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943756597 649422970 /nfs/dbraw/zinc/42/29/70/649422970.db2.gz SAFXXXXZKQADCN-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000858334598 652310239 /nfs/dbraw/zinc/31/02/39/652310239.db2.gz BXGXNVHQUPBBOT-IBGZPJMESA-N 2 1 318.436 2.461 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000304750107 685259108 /nfs/dbraw/zinc/25/91/08/685259108.db2.gz IDWMBZIENFTLPO-RDJZCZTQSA-N 2 1 302.466 2.487 20 30 DEEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCCC2 ZINC000304757958 685259750 /nfs/dbraw/zinc/25/97/50/685259750.db2.gz PLBDICHZYHPQOR-OWCLPIDISA-N 2 1 322.497 2.113 20 30 DEEDMP C#CC[N@H+](C)CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000858556109 685557161 /nfs/dbraw/zinc/55/71/61/685557161.db2.gz WMWYINNOYVTRFP-UHFFFAOYSA-N 2 1 321.428 2.364 20 30 DEEDMP C#CC[N@@H+](C)CCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000858556109 685557164 /nfs/dbraw/zinc/55/71/64/685557164.db2.gz WMWYINNOYVTRFP-UHFFFAOYSA-N 2 1 321.428 2.364 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199388 693879907 /nfs/dbraw/zinc/87/99/07/693879907.db2.gz VOUWVMYPWWNNCE-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192305 693876256 /nfs/dbraw/zinc/87/62/56/693876256.db2.gz USJKRABTFOKSFJ-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000303772970 685233606 /nfs/dbraw/zinc/23/36/06/685233606.db2.gz DYOMAYNAKYMHDX-AWEZNQCLSA-N 2 1 324.856 2.107 20 30 DEEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000303880308 685237966 /nfs/dbraw/zinc/23/79/66/685237966.db2.gz HCJZYORYYZUHIW-JKSUJKDBSA-N 2 1 302.466 2.254 20 30 DEEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)cn1 ZINC000303911901 685240304 /nfs/dbraw/zinc/24/03/04/685240304.db2.gz ZXHAIAAMOQCKGS-CYBMUJFWSA-N 2 1 312.421 2.122 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631724 687669506 /nfs/dbraw/zinc/66/95/06/687669506.db2.gz BRMNGCLSMMZYLR-ZACQAIPSSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001016820273 687710192 /nfs/dbraw/zinc/71/01/92/687710192.db2.gz PVTCQBHZGSDXLG-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930346618 694142805 /nfs/dbraw/zinc/14/28/05/694142805.db2.gz IEWPUJIHUBCZFW-IAGOWNOFSA-N 2 1 301.434 2.151 20 30 DEEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930346618 694142808 /nfs/dbraw/zinc/14/28/08/694142808.db2.gz IEWPUJIHUBCZFW-IAGOWNOFSA-N 2 1 301.434 2.151 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550291 687911329 /nfs/dbraw/zinc/91/13/29/687911329.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550291 687911334 /nfs/dbraw/zinc/91/13/34/687911334.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550291 687911336 /nfs/dbraw/zinc/91/13/36/687911336.db2.gz WWIKHUDPNRARGQ-XDNAFOTISA-N 2 1 317.477 2.112 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017659674 687933858 /nfs/dbraw/zinc/93/38/58/687933858.db2.gz YBNKTVREVXUHKW-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017659674 687933861 /nfs/dbraw/zinc/93/38/61/687933861.db2.gz YBNKTVREVXUHKW-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017659674 687933865 /nfs/dbraw/zinc/93/38/65/687933865.db2.gz YBNKTVREVXUHKW-WNRNVDISSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806774 689000353 /nfs/dbraw/zinc/00/03/53/689000353.db2.gz OLCAPOWIUXMOJP-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001032663828 689217437 /nfs/dbraw/zinc/21/74/37/689217437.db2.gz FADYRXYZVFUYCK-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032663828 689217439 /nfs/dbraw/zinc/21/74/39/689217439.db2.gz FADYRXYZVFUYCK-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032663828 689217442 /nfs/dbraw/zinc/21/74/42/689217442.db2.gz FADYRXYZVFUYCK-ULQDDVLXSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032664121 689218102 /nfs/dbraw/zinc/21/81/02/689218102.db2.gz RDMJVDCBSUMMHY-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001032664121 689218104 /nfs/dbraw/zinc/21/81/04/689218104.db2.gz RDMJVDCBSUMMHY-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032664121 689218106 /nfs/dbraw/zinc/21/81/06/689218106.db2.gz RDMJVDCBSUMMHY-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032664121 689218109 /nfs/dbraw/zinc/21/81/09/689218109.db2.gz RDMJVDCBSUMMHY-YESZJQIVSA-N 2 1 305.466 2.111 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145575 689404187 /nfs/dbraw/zinc/40/41/87/689404187.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145575 689404190 /nfs/dbraw/zinc/40/41/90/689404190.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145575 689404192 /nfs/dbraw/zinc/40/41/92/689404192.db2.gz IGFHBOBGHLOKIE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033374364 689480626 /nfs/dbraw/zinc/48/06/26/689480626.db2.gz ZANQTOOVHVDSHV-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033374364 689480629 /nfs/dbraw/zinc/48/06/29/689480629.db2.gz ZANQTOOVHVDSHV-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467944 689510895 /nfs/dbraw/zinc/51/08/95/689510895.db2.gz UVEGRNCBZAIJMZ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033934981 689666121 /nfs/dbraw/zinc/66/61/21/689666121.db2.gz OQBIHTQCRQAOPE-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033934981 689666124 /nfs/dbraw/zinc/66/61/24/689666124.db2.gz OQBIHTQCRQAOPE-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033934981 689666126 /nfs/dbraw/zinc/66/61/26/689666126.db2.gz OQBIHTQCRQAOPE-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034006315 689690157 /nfs/dbraw/zinc/69/01/57/689690157.db2.gz ZTYAACCBQFOFPL-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034330970 689811671 /nfs/dbraw/zinc/81/16/71/689811671.db2.gz QQBMOKJWOVCEGS-QZTJIDSGSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384073 689830499 /nfs/dbraw/zinc/83/04/99/689830499.db2.gz CPNFDSNQRYIHMV-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384073 689830504 /nfs/dbraw/zinc/83/05/04/689830504.db2.gz CPNFDSNQRYIHMV-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035228572 690066456 /nfs/dbraw/zinc/06/64/56/690066456.db2.gz UECRUYVAXYFTFI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035228572 690066460 /nfs/dbraw/zinc/06/64/60/690066460.db2.gz UECRUYVAXYFTFI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708665 690157191 /nfs/dbraw/zinc/15/71/91/690157191.db2.gz YJSNWLIXOUGEFM-KRWDZBQOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851566 690193475 /nfs/dbraw/zinc/19/34/75/690193475.db2.gz RDKDTFQLLHCSEN-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036736273 690452493 /nfs/dbraw/zinc/45/24/93/690452493.db2.gz XNJMRPISLXHTQG-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036737777 690454258 /nfs/dbraw/zinc/45/42/58/690454258.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737777 690454261 /nfs/dbraw/zinc/45/42/61/690454261.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036737777 690454263 /nfs/dbraw/zinc/45/42/63/690454263.db2.gz WDURUJOKEMOULB-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853988 690499786 /nfs/dbraw/zinc/49/97/86/690499786.db2.gz CHNBQLIHGPXXMF-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903584 690522481 /nfs/dbraw/zinc/52/24/81/690522481.db2.gz CPZDMYSMQJROMA-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355055 690793347 /nfs/dbraw/zinc/79/33/47/690793347.db2.gz XISNZSVKDRGIQK-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355055 690793348 /nfs/dbraw/zinc/79/33/48/690793348.db2.gz XISNZSVKDRGIQK-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355055 690793349 /nfs/dbraw/zinc/79/33/49/690793349.db2.gz XISNZSVKDRGIQK-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038355055 690793350 /nfs/dbraw/zinc/79/33/50/690793350.db2.gz XISNZSVKDRGIQK-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039132855 691029495 /nfs/dbraw/zinc/02/94/95/691029495.db2.gz PRMANTSCKLOGDT-BPQIPLTHSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132855 691029499 /nfs/dbraw/zinc/02/94/99/691029499.db2.gz PRMANTSCKLOGDT-BPQIPLTHSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039132855 691029502 /nfs/dbraw/zinc/02/95/02/691029502.db2.gz PRMANTSCKLOGDT-BPQIPLTHSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039137110 691030994 /nfs/dbraw/zinc/03/09/94/691030994.db2.gz MKKNHEHGDBNQBO-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039278838 691073992 /nfs/dbraw/zinc/07/39/92/691073992.db2.gz CGLQJOFFQOJASV-NPYXIHBLSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039410873 691101001 /nfs/dbraw/zinc/10/10/01/691101001.db2.gz CYDSHYFFOMLCLB-SQNIBIBYSA-N 2 1 317.477 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041476189 691381725 /nfs/dbraw/zinc/38/17/25/691381725.db2.gz PSUVHQZCCXOIIZ-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041476189 691381728 /nfs/dbraw/zinc/38/17/28/691381728.db2.gz PSUVHQZCCXOIIZ-GOSISDBHSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604365 691399596 /nfs/dbraw/zinc/39/95/96/691399596.db2.gz COPYJWLLRDCOAK-GOSISDBHSA-N 2 1 317.433 2.065 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604365 691399598 /nfs/dbraw/zinc/39/95/98/691399598.db2.gz COPYJWLLRDCOAK-GOSISDBHSA-N 2 1 317.433 2.065 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000883131187 691435824 /nfs/dbraw/zinc/43/58/24/691435824.db2.gz MVROBDDBUGXERX-UHFFFAOYSA-N 2 1 318.371 2.400 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000883131187 691435825 /nfs/dbraw/zinc/43/58/25/691435825.db2.gz MVROBDDBUGXERX-UHFFFAOYSA-N 2 1 318.371 2.400 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094173 691506078 /nfs/dbraw/zinc/50/60/78/691506078.db2.gz QFVBUIPRXOOALD-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371149 691584922 /nfs/dbraw/zinc/58/49/22/691584922.db2.gz MBRUUXNTVKVCET-ROUUACIJSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042724179 691645361 /nfs/dbraw/zinc/64/53/61/691645361.db2.gz UNTLJORAYXGFBC-UHFFFAOYSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585144 692001045 /nfs/dbraw/zinc/00/10/45/692001045.db2.gz NZJQUVUYFLKXJS-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921230 692052165 /nfs/dbraw/zinc/05/21/65/692052165.db2.gz IEXQIARUIYAKFY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921230 692052167 /nfs/dbraw/zinc/05/21/67/692052167.db2.gz IEXQIARUIYAKFY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921230 692052170 /nfs/dbraw/zinc/05/21/70/692052170.db2.gz IEXQIARUIYAKFY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984436 692068775 /nfs/dbraw/zinc/06/87/75/692068775.db2.gz AIACLHCWYTYTEI-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984436 692068778 /nfs/dbraw/zinc/06/87/78/692068778.db2.gz AIACLHCWYTYTEI-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984436 692068781 /nfs/dbraw/zinc/06/87/81/692068781.db2.gz AIACLHCWYTYTEI-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046368641 692167013 /nfs/dbraw/zinc/16/70/13/692167013.db2.gz FTVJDTYWSIOYRE-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368641 692167015 /nfs/dbraw/zinc/16/70/15/692167015.db2.gz FTVJDTYWSIOYRE-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046368641 692167019 /nfs/dbraw/zinc/16/70/19/692167019.db2.gz FTVJDTYWSIOYRE-WMZOPIPTSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047263832 692404539 /nfs/dbraw/zinc/40/45/39/692404539.db2.gz DEXCLEOTFMSEIR-ROUUACIJSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049172460 692779655 /nfs/dbraw/zinc/77/96/55/692779655.db2.gz WWIQKTJILDNDTL-WNRNVDISSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049656481 692956155 /nfs/dbraw/zinc/95/61/55/692956155.db2.gz XONMCMAGCZMLNT-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656481 692956158 /nfs/dbraw/zinc/95/61/58/692956158.db2.gz XONMCMAGCZMLNT-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049656481 692956160 /nfs/dbraw/zinc/95/61/60/692956160.db2.gz XONMCMAGCZMLNT-IKGGRYGDSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724801 692976998 /nfs/dbraw/zinc/97/69/98/692976998.db2.gz UCCDVLMJLVWWSU-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724801 692977003 /nfs/dbraw/zinc/97/70/03/692977003.db2.gz UCCDVLMJLVWWSU-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724801 692977009 /nfs/dbraw/zinc/97/70/09/692977009.db2.gz UCCDVLMJLVWWSU-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052427168 693531836 /nfs/dbraw/zinc/53/18/36/693531836.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427168 693531838 /nfs/dbraw/zinc/53/18/38/693531838.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052427168 693531839 /nfs/dbraw/zinc/53/18/39/693531839.db2.gz WNBXSBUUIDAXRR-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591420 693574313 /nfs/dbraw/zinc/57/43/13/693574313.db2.gz PUBYGDNAEXUPMJ-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716310 693601848 /nfs/dbraw/zinc/60/18/48/693601848.db2.gz LNCTWFZEAVGGGC-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716310 693601851 /nfs/dbraw/zinc/60/18/51/693601851.db2.gz LNCTWFZEAVGGGC-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716310 693601853 /nfs/dbraw/zinc/60/18/53/693601853.db2.gz LNCTWFZEAVGGGC-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764688 693614999 /nfs/dbraw/zinc/61/49/99/693614999.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764688 693615002 /nfs/dbraw/zinc/61/50/02/693615002.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764688 693615003 /nfs/dbraw/zinc/61/50/03/693615003.db2.gz QRUYOFNGLMNEJV-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000932464407 694620973 /nfs/dbraw/zinc/62/09/73/694620973.db2.gz ZAISKLFWSSNCLT-QGZVFWFLSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCn1cnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001352759864 1151775717 /nfs/dbraw/zinc/77/57/17/1151775717.db2.gz HFIJXECKRRWCIF-RRFJBIMHSA-N 2 1 321.494 2.220 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376290022 1159318674 /nfs/dbraw/zinc/31/86/74/1159318674.db2.gz GSJCHQMJPNSUAP-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001376290022 1159318683 /nfs/dbraw/zinc/31/86/83/1159318683.db2.gz GSJCHQMJPNSUAP-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001376290022 1159318691 /nfs/dbraw/zinc/31/86/91/1159318691.db2.gz GSJCHQMJPNSUAP-OAHLLOKOSA-N 2 1 315.889 2.251 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001397129625 1160008879 /nfs/dbraw/zinc/00/88/79/1160008879.db2.gz LTEFLFSRYHRFBW-HDJSIYSDSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001398794697 1161105091 /nfs/dbraw/zinc/10/50/91/1161105091.db2.gz PRXOMXNBKKEKIE-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001399286232 1161320361 /nfs/dbraw/zinc/32/03/61/1161320361.db2.gz RKOTWVLSURVBGM-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001399286232 1161320365 /nfs/dbraw/zinc/32/03/65/1161320365.db2.gz RKOTWVLSURVBGM-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001399286232 1161320369 /nfs/dbraw/zinc/32/03/69/1161320369.db2.gz RKOTWVLSURVBGM-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001399286232 1161320377 /nfs/dbraw/zinc/32/03/77/1161320377.db2.gz RKOTWVLSURVBGM-CQSZACIVSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001406184878 1164497855 /nfs/dbraw/zinc/49/78/55/1164497855.db2.gz NFEWOUKRRUDGLD-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC1=CCCCC1 ZINC001492968055 1165291163 /nfs/dbraw/zinc/29/11/63/1165291163.db2.gz TZZRJOHJHZUIQJ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC1=CCCCC1 ZINC001492968055 1165291170 /nfs/dbraw/zinc/29/11/70/1165291170.db2.gz TZZRJOHJHZUIQJ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1=CCCCC1 ZINC001492968055 1165291180 /nfs/dbraw/zinc/29/11/80/1165291180.db2.gz TZZRJOHJHZUIQJ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1=CCCCC1 ZINC001492968055 1165291189 /nfs/dbraw/zinc/29/11/89/1165291189.db2.gz TZZRJOHJHZUIQJ-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001419828261 1168863364 /nfs/dbraw/zinc/86/33/64/1168863364.db2.gz UDJIJDMWJDKBHG-DZGCQCFKSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001420087185 1169153421 /nfs/dbraw/zinc/15/34/21/1169153421.db2.gz MILIVWVNDDPYRM-HIFRSBDPSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423691166 1173494525 /nfs/dbraw/zinc/49/45/25/1173494525.db2.gz ZCXJHMKONNTXGY-GDBMZVCRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001423691166 1173494528 /nfs/dbraw/zinc/49/45/28/1173494528.db2.gz ZCXJHMKONNTXGY-GDBMZVCRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001425950113 1174531347 /nfs/dbraw/zinc/53/13/47/1174531347.db2.gz HJTBPZFRSROJKK-KBPBESRZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001426225583 1174659077 /nfs/dbraw/zinc/65/90/77/1174659077.db2.gz LFTOFVKTIDVMNF-SLTAFYQDSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001439858291 1181275939 /nfs/dbraw/zinc/27/59/39/1181275939.db2.gz MNZSCSXHJYZXAK-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001439858291 1181275945 /nfs/dbraw/zinc/27/59/45/1181275945.db2.gz MNZSCSXHJYZXAK-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439858291 1181275952 /nfs/dbraw/zinc/27/59/52/1181275952.db2.gz MNZSCSXHJYZXAK-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001439858291 1181275963 /nfs/dbraw/zinc/27/59/63/1181275963.db2.gz MNZSCSXHJYZXAK-ZBFHGGJFSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001441848655 1182213101 /nfs/dbraw/zinc/21/31/01/1182213101.db2.gz ZQGYAEXYHQYZKV-ZIAGYGMSSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001443148196 1182862216 /nfs/dbraw/zinc/86/22/16/1182862216.db2.gz RTIPGSUTJVRGLE-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001443920160 1183202492 /nfs/dbraw/zinc/20/24/92/1183202492.db2.gz UALKHLOUFTYCOS-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596294 1149816995 /nfs/dbraw/zinc/81/69/95/1149816995.db2.gz SXOOFMWEAYLCNH-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596294 1149816996 /nfs/dbraw/zinc/81/69/96/1149816996.db2.gz SXOOFMWEAYLCNH-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886191 790287905 /nfs/dbraw/zinc/28/79/05/790287905.db2.gz JOESZWSBHIXPQO-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886191 790287909 /nfs/dbraw/zinc/28/79/09/790287909.db2.gz JOESZWSBHIXPQO-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886191 790287914 /nfs/dbraw/zinc/28/79/14/790287914.db2.gz JOESZWSBHIXPQO-KRWDZBQOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089563347 783211561 /nfs/dbraw/zinc/21/15/61/783211561.db2.gz QGVXSLZORAYUOW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562552 783210233 /nfs/dbraw/zinc/21/02/33/783210233.db2.gz HPTPERQFTNYATI-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237079 776789010 /nfs/dbraw/zinc/78/90/10/776789010.db2.gz UAIOAJNZZWYJMA-HZPDHXFCSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237078 776789533 /nfs/dbraw/zinc/78/95/33/776789533.db2.gz UAIOAJNZZWYJMA-HOTGVXAUSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167732585 778192572 /nfs/dbraw/zinc/19/25/72/778192572.db2.gz IMFVAOZFBJJTGB-INIZCTEOSA-N 2 1 307.482 2.171 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530064 778621922 /nfs/dbraw/zinc/62/19/22/778621922.db2.gz BJJPTTSTWHJKDU-LPHOPBHVSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601827 779374863 /nfs/dbraw/zinc/37/48/63/779374863.db2.gz LYIAMBBYZYEJIP-XHSDSOJGSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601827 779374865 /nfs/dbraw/zinc/37/48/65/779374865.db2.gz LYIAMBBYZYEJIP-XHSDSOJGSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087705027 779417254 /nfs/dbraw/zinc/41/72/54/779417254.db2.gz RWJLMMGGHSSKPM-JKSUJKDBSA-N 2 1 319.449 2.500 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087705027 779417259 /nfs/dbraw/zinc/41/72/59/779417259.db2.gz RWJLMMGGHSSKPM-JKSUJKDBSA-N 2 1 319.449 2.500 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799277 779456178 /nfs/dbraw/zinc/45/61/78/779456178.db2.gz LVSFQJSBNXEXFN-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130354 779719774 /nfs/dbraw/zinc/71/97/74/779719774.db2.gz KMKNSYXDTNVGMT-MSOLQXFVSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000985495794 779865912 /nfs/dbraw/zinc/86/59/12/779865912.db2.gz KNYPOJQVNRUCDV-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000985495794 779865917 /nfs/dbraw/zinc/86/59/17/779865917.db2.gz KNYPOJQVNRUCDV-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000985495794 779865924 /nfs/dbraw/zinc/86/59/24/779865924.db2.gz KNYPOJQVNRUCDV-DLBZAZTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001088424668 780106680 /nfs/dbraw/zinc/10/66/80/780106680.db2.gz CLDZQDXHFCPINF-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](CCCC[NH3+])C2)CC1 ZINC001204843444 780402531 /nfs/dbraw/zinc/40/25/31/780402531.db2.gz PLQDYZVIOSYJNZ-UHFFFAOYSA-N 2 1 309.454 2.226 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600181 780570937 /nfs/dbraw/zinc/57/09/37/780570937.db2.gz ADPNZHYPVRAMBE-HIFRSBDPSA-N 2 1 319.474 2.026 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1C ZINC001088600181 780570946 /nfs/dbraw/zinc/57/09/46/780570946.db2.gz ADPNZHYPVRAMBE-HIFRSBDPSA-N 2 1 319.474 2.026 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605712 781323986 /nfs/dbraw/zinc/32/39/86/781323986.db2.gz OTPGQDZDUDEBGU-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068641 790890625 /nfs/dbraw/zinc/89/06/25/790890625.db2.gz XQVBTNHAVUMSPL-LEOMRAHMSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001089647850 783320030 /nfs/dbraw/zinc/32/00/30/783320030.db2.gz BRZSJARPKUOLEP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647850 783320037 /nfs/dbraw/zinc/32/00/37/783320037.db2.gz BRZSJARPKUOLEP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647850 783320045 /nfs/dbraw/zinc/32/00/45/783320045.db2.gz BRZSJARPKUOLEP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647850 783320053 /nfs/dbraw/zinc/32/00/53/783320053.db2.gz BRZSJARPKUOLEP-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948552661 783499452 /nfs/dbraw/zinc/49/94/52/783499452.db2.gz AFNZMZMXBIUCHX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948552661 783499456 /nfs/dbraw/zinc/49/94/56/783499456.db2.gz AFNZMZMXBIUCHX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948554620 783500942 /nfs/dbraw/zinc/50/09/42/783500942.db2.gz XOSBQGRBEFJQDO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948554620 783500949 /nfs/dbraw/zinc/50/09/49/783500949.db2.gz XOSBQGRBEFJQDO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948554620 783500953 /nfs/dbraw/zinc/50/09/53/783500953.db2.gz XOSBQGRBEFJQDO-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967090402 783881243 /nfs/dbraw/zinc/88/12/43/783881243.db2.gz TYSJRWMITIOIJU-KBXCAEBGSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085629049 783904442 /nfs/dbraw/zinc/90/44/42/783904442.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629049 783904446 /nfs/dbraw/zinc/90/44/46/783904446.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001085629049 783904450 /nfs/dbraw/zinc/90/44/50/783904450.db2.gz KRVKCCNSHSYSKC-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264160 783915509 /nfs/dbraw/zinc/91/55/09/783915509.db2.gz HHKDFWWRNKQRRI-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967266069 783916230 /nfs/dbraw/zinc/91/62/30/783916230.db2.gz ZKNCYZDXCWHWPH-YOEHRIQHSA-N 2 1 312.417 2.351 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC(CC)CC ZINC001085646418 783923749 /nfs/dbraw/zinc/92/37/49/783923749.db2.gz BGSZIFPVAQHDBU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001085646418 783923753 /nfs/dbraw/zinc/92/37/53/783923753.db2.gz BGSZIFPVAQHDBU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(CC)CC ZINC001085646418 783923754 /nfs/dbraw/zinc/92/37/54/783923754.db2.gz BGSZIFPVAQHDBU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC(CC)CC ZINC001085646418 783923760 /nfs/dbraw/zinc/92/37/60/783923760.db2.gz BGSZIFPVAQHDBU-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967709215 784098977 /nfs/dbraw/zinc/09/89/77/784098977.db2.gz XLRTXYWQDJOUKK-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553861 784461641 /nfs/dbraw/zinc/46/16/41/784461641.db2.gz QLQBHLUQPGNGMZ-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553861 784461648 /nfs/dbraw/zinc/46/16/48/784461648.db2.gz QLQBHLUQPGNGMZ-GOEBONIOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000968782667 784587909 /nfs/dbraw/zinc/58/79/09/784587909.db2.gz XWHNFBIALMQPLS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968782667 784587915 /nfs/dbraw/zinc/58/79/15/784587915.db2.gz XWHNFBIALMQPLS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000968782667 784587923 /nfs/dbraw/zinc/58/79/23/784587923.db2.gz XWHNFBIALMQPLS-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968866165 784626220 /nfs/dbraw/zinc/62/62/20/784626220.db2.gz CHDSONCBNDKJTF-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866165 784626229 /nfs/dbraw/zinc/62/62/29/784626229.db2.gz CHDSONCBNDKJTF-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866165 784626234 /nfs/dbraw/zinc/62/62/34/784626234.db2.gz CHDSONCBNDKJTF-OKZBNKHCSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803044 785545326 /nfs/dbraw/zinc/54/53/26/785545326.db2.gz UWRTWVDXWYFRIJ-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001086558571 786231861 /nfs/dbraw/zinc/23/18/61/786231861.db2.gz BXKCPUYGVGSTGI-KKUMJFAQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979835 786340709 /nfs/dbraw/zinc/34/07/09/786340709.db2.gz IYYJSGASMNRKTA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113248185 786472915 /nfs/dbraw/zinc/47/29/15/786472915.db2.gz UHRAZMXKGDEZEK-QGZVFWFLSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304571 787206203 /nfs/dbraw/zinc/20/62/03/787206203.db2.gz UHJJSMXIXSMUEK-BSXFFOKHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304571 787206207 /nfs/dbraw/zinc/20/62/07/787206207.db2.gz UHJJSMXIXSMUEK-BSXFFOKHSA-N 2 1 316.449 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105896 787931730 /nfs/dbraw/zinc/93/17/30/787931730.db2.gz OELPGCPWBMRWEF-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266338 787998042 /nfs/dbraw/zinc/99/80/42/787998042.db2.gz WXMXTCTUXNIYQJ-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132424277 788062962 /nfs/dbraw/zinc/06/29/62/788062962.db2.gz DQMJEENEEDXUKZ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132519030 788106488 /nfs/dbraw/zinc/10/64/88/788106488.db2.gz RNYOREUJFBIEJL-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097851650 788249378 /nfs/dbraw/zinc/24/93/78/788249378.db2.gz HYUNIYGOBHPSBR-BSXFFOKHSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851650 788249382 /nfs/dbraw/zinc/24/93/82/788249382.db2.gz HYUNIYGOBHPSBR-BSXFFOKHSA-N 2 1 323.456 2.106 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851650 788249387 /nfs/dbraw/zinc/24/93/87/788249387.db2.gz HYUNIYGOBHPSBR-BSXFFOKHSA-N 2 1 323.456 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001052899371 788257873 /nfs/dbraw/zinc/25/78/73/788257873.db2.gz SUXVMMJBGXUFFE-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001052899371 788257881 /nfs/dbraw/zinc/25/78/81/788257881.db2.gz SUXVMMJBGXUFFE-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001052899371 788257886 /nfs/dbraw/zinc/25/78/86/788257886.db2.gz SUXVMMJBGXUFFE-WMZOPIPTSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133318042 788368591 /nfs/dbraw/zinc/36/85/91/788368591.db2.gz DHZDZYMOADJIHJ-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682171 789863395 /nfs/dbraw/zinc/86/33/95/789863395.db2.gz IDCWUONHLYEZCE-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873447 789953234 /nfs/dbraw/zinc/95/32/34/789953234.db2.gz WNKMOCJKWLEGTQ-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001074684355 791264814 /nfs/dbraw/zinc/26/48/14/791264814.db2.gz RIROQBJPDIFDEH-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074695217 791267608 /nfs/dbraw/zinc/26/76/08/791267608.db2.gz NDBHXLPKOOPRLH-ZNMIVQPWSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC ZINC001171307385 791558978 /nfs/dbraw/zinc/55/89/78/791558978.db2.gz IMUDHGYOEUSNMF-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC ZINC001171307385 791558986 /nfs/dbraw/zinc/55/89/86/791558986.db2.gz IMUDHGYOEUSNMF-IRXDYDNUSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174863 791703703 /nfs/dbraw/zinc/70/37/03/791703703.db2.gz YXEWJMBJPVABGD-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932577 791860162 /nfs/dbraw/zinc/86/01/62/791860162.db2.gz OIZJKTUXQQWVIO-OAHLLOKOSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952748 791862611 /nfs/dbraw/zinc/86/26/11/791862611.db2.gz PHPODHTVYUGRHY-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098983174 792017538 /nfs/dbraw/zinc/01/75/38/792017538.db2.gz JREDHWIWZDFQLJ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098983174 792017552 /nfs/dbraw/zinc/01/75/52/792017552.db2.gz JREDHWIWZDFQLJ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983174 792017564 /nfs/dbraw/zinc/01/75/64/792017564.db2.gz JREDHWIWZDFQLJ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098983174 792017574 /nfs/dbraw/zinc/01/75/74/792017574.db2.gz JREDHWIWZDFQLJ-LNLFQRSKSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996438 792026020 /nfs/dbraw/zinc/02/60/20/792026020.db2.gz HOWCPWGNPFJLIM-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996438 792026032 /nfs/dbraw/zinc/02/60/32/792026032.db2.gz HOWCPWGNPFJLIM-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996438 792026045 /nfs/dbraw/zinc/02/60/45/792026045.db2.gz HOWCPWGNPFJLIM-DWRORGKVSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164658 792122865 /nfs/dbraw/zinc/12/28/65/792122865.db2.gz FQRSSZZMMBZKAJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164658 792122873 /nfs/dbraw/zinc/12/28/73/792122873.db2.gz FQRSSZZMMBZKAJ-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100405568 792632220 /nfs/dbraw/zinc/63/22/20/792632220.db2.gz BTWNRGMEXXKOSO-OFLPRAFFSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100415220 792636827 /nfs/dbraw/zinc/63/68/27/792636827.db2.gz FOSFSCRHDWVJKZ-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(CC)CC)C1 ZINC001100415220 792636836 /nfs/dbraw/zinc/63/68/36/792636836.db2.gz FOSFSCRHDWVJKZ-ABHNRTSZSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171647449 793157498 /nfs/dbraw/zinc/15/74/98/793157498.db2.gz VXIRHSWTLFCIQL-ZWKOTPCHSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443725 793164380 /nfs/dbraw/zinc/16/43/80/793164380.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443725 793164384 /nfs/dbraw/zinc/16/43/84/793164384.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443725 793164388 /nfs/dbraw/zinc/16/43/88/793164388.db2.gz PTBGFLXODJUQLR-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206182508 793524643 /nfs/dbraw/zinc/52/46/43/793524643.db2.gz ANWOYALABMCFRZ-IAGOWNOFSA-N 2 1 304.413 2.298 20 30 DEEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206182508 793524645 /nfs/dbraw/zinc/52/46/45/793524645.db2.gz ANWOYALABMCFRZ-IAGOWNOFSA-N 2 1 304.413 2.298 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189935 793524923 /nfs/dbraw/zinc/52/49/23/793524923.db2.gz IYQLRKAXMTVZNF-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP C[NH+](C)CCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980863 793550439 /nfs/dbraw/zinc/55/04/39/793550439.db2.gz QJWJMDAGFVFMOX-CABCVRRESA-N 2 1 324.469 2.162 20 30 DEEDMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980863 793550447 /nfs/dbraw/zinc/55/04/47/793550447.db2.gz QJWJMDAGFVFMOX-CABCVRRESA-N 2 1 324.469 2.162 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102272047 793553600 /nfs/dbraw/zinc/55/36/00/793553600.db2.gz GTJKYCQFXKVHTM-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102272047 793553603 /nfs/dbraw/zinc/55/36/03/793553603.db2.gz GTJKYCQFXKVHTM-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102272047 793553606 /nfs/dbraw/zinc/55/36/06/793553606.db2.gz GTJKYCQFXKVHTM-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001094999613 793566703 /nfs/dbraw/zinc/56/67/03/793566703.db2.gz KASOOUUUBPRHJM-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999865 794340597 /nfs/dbraw/zinc/34/05/97/794340597.db2.gz NGKMNBGMFIHZTH-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176760440 794498386 /nfs/dbraw/zinc/49/83/86/794498386.db2.gz WOPYXHUQJHLLSD-SJORKVTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477631 794689722 /nfs/dbraw/zinc/68/97/22/794689722.db2.gz JSNXINBLKNSZRP-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768575 794913836 /nfs/dbraw/zinc/91/38/36/794913836.db2.gz CMSWEEUEKZQOHY-IAGOWNOFSA-N 2 1 317.477 2.045 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483535 794935107 /nfs/dbraw/zinc/93/51/07/794935107.db2.gz CLTFCSFNNGXJME-MSOLQXFVSA-N 2 1 319.493 2.150 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484528 794935696 /nfs/dbraw/zinc/93/56/96/794935696.db2.gz UCNQWHUSXGVUHC-SJORKVTESA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585230 795146216 /nfs/dbraw/zinc/14/62/16/795146216.db2.gz DNPSWUJAUNTMFH-AWEZNQCLSA-N 2 1 315.889 2.347 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130080 795409858 /nfs/dbraw/zinc/40/98/58/795409858.db2.gz UVEANAIHCRTENI-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440640 795460681 /nfs/dbraw/zinc/46/06/81/795460681.db2.gz QHSZUOBGJHISEJ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120440639 795460695 /nfs/dbraw/zinc/46/06/95/795460695.db2.gz QHSZUOBGJHISEJ-MSOLQXFVSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120450046 795463428 /nfs/dbraw/zinc/46/34/28/795463428.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450046 795463431 /nfs/dbraw/zinc/46/34/31/795463431.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120450046 795463437 /nfs/dbraw/zinc/46/34/37/795463437.db2.gz RSZDQAXPTZRWED-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177688 795732748 /nfs/dbraw/zinc/73/27/48/795732748.db2.gz IEYJHAHBTVOECJ-TVACIPRKSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082434 795796945 /nfs/dbraw/zinc/79/69/45/795796945.db2.gz VFSYBPNSXRUGQM-CZUORRHYSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185090430 796179015 /nfs/dbraw/zinc/17/90/15/796179015.db2.gz LOYRMEPHQMYBEV-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190484727 797009729 /nfs/dbraw/zinc/00/97/29/797009729.db2.gz WYUWMNQSRGGURU-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484727 797009735 /nfs/dbraw/zinc/00/97/35/797009735.db2.gz WYUWMNQSRGGURU-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484727 797009743 /nfs/dbraw/zinc/00/97/43/797009743.db2.gz WYUWMNQSRGGURU-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143373 797152495 /nfs/dbraw/zinc/15/24/95/797152495.db2.gz AKUMMLQQUZMOOX-INIZCTEOSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542868 797220244 /nfs/dbraw/zinc/22/02/44/797220244.db2.gz JIKKRZLBXTYXRG-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191986779 797293910 /nfs/dbraw/zinc/29/39/10/797293910.db2.gz BJTBRFRANXMECT-INIZCTEOSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424837 797564989 /nfs/dbraw/zinc/56/49/89/797564989.db2.gz PYOUYOPZIWXHSO-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424837 797564991 /nfs/dbraw/zinc/56/49/91/797564991.db2.gz PYOUYOPZIWXHSO-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027213 797665836 /nfs/dbraw/zinc/66/58/36/797665836.db2.gz PNXWTROZTPURBZ-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194027213 797665839 /nfs/dbraw/zinc/66/58/39/797665839.db2.gz PNXWTROZTPURBZ-GOEBONIOSA-N 2 1 304.438 2.079 20 30 DEEDMP Cc1[nH+]c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)ccc1CC#N ZINC001155833864 797859324 /nfs/dbraw/zinc/85/93/24/797859324.db2.gz RWUNTXBKFMZRAE-DOTOQJQBSA-N 2 1 300.406 2.169 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195817377 797960539 /nfs/dbraw/zinc/96/05/39/797960539.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195817377 797960541 /nfs/dbraw/zinc/96/05/41/797960541.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195817377 797960543 /nfs/dbraw/zinc/96/05/43/797960543.db2.gz PWNYDALBKWYXRO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cncc2C)CC1 ZINC001196508065 798065652 /nfs/dbraw/zinc/06/56/52/798065652.db2.gz XHONXHJEAOWLBB-OAHLLOKOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196508065 798065661 /nfs/dbraw/zinc/06/56/61/798065661.db2.gz XHONXHJEAOWLBB-OAHLLOKOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196508065 798065668 /nfs/dbraw/zinc/06/56/68/798065668.db2.gz XHONXHJEAOWLBB-OAHLLOKOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396746 798181212 /nfs/dbraw/zinc/18/12/12/798181212.db2.gz MODNROKZXWBHPD-CVEARBPZSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396746 798181217 /nfs/dbraw/zinc/18/12/17/798181217.db2.gz MODNROKZXWBHPD-CVEARBPZSA-N 2 1 318.465 2.477 20 30 DEEDMP Cc1ccc(CC#N)c(N2CCN(c3cc[nH+]cc3C)CC2)[nH+]1 ZINC001158107842 798344953 /nfs/dbraw/zinc/34/49/53/798344953.db2.gz JSEBMZJCUCBBDE-UHFFFAOYSA-N 2 1 307.401 2.486 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001158296327 798377646 /nfs/dbraw/zinc/37/76/46/798377646.db2.gz LAOAGEYZCWEUMI-MRXNPFEDSA-N 2 1 304.438 2.162 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158472949 798412933 /nfs/dbraw/zinc/41/29/33/798412933.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158472949 798412936 /nfs/dbraw/zinc/41/29/36/798412936.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158472949 798412938 /nfs/dbraw/zinc/41/29/38/798412938.db2.gz GXSSPXYHFOEJAB-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491632 798416120 /nfs/dbraw/zinc/41/61/20/798416120.db2.gz VBVATEIDKAOMII-QZTJIDSGSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286133 798670872 /nfs/dbraw/zinc/67/08/72/798670872.db2.gz NVCMGWQLOFIDMS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286133 798670878 /nfs/dbraw/zinc/67/08/78/798670878.db2.gz NVCMGWQLOFIDMS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286133 798670883 /nfs/dbraw/zinc/67/08/83/798670883.db2.gz NVCMGWQLOFIDMS-QGZVFWFLSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160386334 798682794 /nfs/dbraw/zinc/68/27/94/798682794.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160386334 798682796 /nfs/dbraw/zinc/68/27/96/798682796.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160386334 798682797 /nfs/dbraw/zinc/68/27/97/798682797.db2.gz UGKGQRHLJRQWAB-UHFFFAOYSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893804 798688368 /nfs/dbraw/zinc/68/83/68/798688368.db2.gz IWAFEHNQRAEUEO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466467 798692644 /nfs/dbraw/zinc/69/26/44/798692644.db2.gz DNHVOVIAYWGAPB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466467 798692645 /nfs/dbraw/zinc/69/26/45/798692645.db2.gz DNHVOVIAYWGAPB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466467 798692647 /nfs/dbraw/zinc/69/26/47/798692647.db2.gz DNHVOVIAYWGAPB-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044344 798709815 /nfs/dbraw/zinc/70/98/15/798709815.db2.gz UGXLGCRNBDGWOC-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)CCC=C)CC1 ZINC001201094999 798712004 /nfs/dbraw/zinc/71/20/04/798712004.db2.gz ZLGNZULGSWDPNJ-WMZOPIPTSA-N 2 1 317.477 2.019 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)CCC=C)CC1 ZINC001201094999 798712010 /nfs/dbraw/zinc/71/20/10/798712010.db2.gz ZLGNZULGSWDPNJ-WMZOPIPTSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161207763 798810765 /nfs/dbraw/zinc/81/07/65/798810765.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207763 798810771 /nfs/dbraw/zinc/81/07/71/798810771.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161207763 798810777 /nfs/dbraw/zinc/81/07/77/798810777.db2.gz VXRBKFDNQPUZAF-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202178381 798836484 /nfs/dbraw/zinc/83/64/84/798836484.db2.gz JJBCQKHGLVCKKQ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110718812 798990084 /nfs/dbraw/zinc/99/00/84/798990084.db2.gz FMAKUNVEWNLYRA-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110718812 798990089 /nfs/dbraw/zinc/99/00/89/798990089.db2.gz FMAKUNVEWNLYRA-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718812 798990090 /nfs/dbraw/zinc/99/00/90/798990090.db2.gz FMAKUNVEWNLYRA-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718812 798990096 /nfs/dbraw/zinc/99/00/96/798990096.db2.gz FMAKUNVEWNLYRA-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410135 799093079 /nfs/dbraw/zinc/09/30/79/799093079.db2.gz UEHAELKFMCXWKP-MLHJIOFPSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491948 799609861 /nfs/dbraw/zinc/60/98/61/799609861.db2.gz REYGHSMJACYELO-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165569369 799746809 /nfs/dbraw/zinc/74/68/09/799746809.db2.gz XYAUQOIQBKXPCJ-INIZCTEOSA-N 2 1 307.482 2.313 20 30 DEEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001165926717 799796779 /nfs/dbraw/zinc/79/67/79/799796779.db2.gz ADEOUDVRXGKYFJ-QGZVFWFLSA-N 2 1 319.493 2.006 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203792088 800123356 /nfs/dbraw/zinc/12/33/56/800123356.db2.gz NGVYTOMOQOPEDM-KBPBESRZSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518610 800367041 /nfs/dbraw/zinc/36/70/41/800367041.db2.gz DKOFYPYNMMZVSH-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208189165 800927218 /nfs/dbraw/zinc/92/72/18/800927218.db2.gz RKINTHIDUUWBLR-INIZCTEOSA-N 2 1 323.481 2.485 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208189165 800927224 /nfs/dbraw/zinc/92/72/24/800927224.db2.gz RKINTHIDUUWBLR-INIZCTEOSA-N 2 1 323.481 2.485 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932965 801308322 /nfs/dbraw/zinc/30/83/22/801308322.db2.gz WNHLGFBGYVHUGK-INIZCTEOSA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209932966 801308473 /nfs/dbraw/zinc/30/84/73/801308473.db2.gz WNHLGFBGYVHUGK-MRXNPFEDSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211257308 801537339 /nfs/dbraw/zinc/53/73/39/801537339.db2.gz QJOPJWYFIJBTST-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234642787 802438202 /nfs/dbraw/zinc/43/82/02/802438202.db2.gz KWWOPERXFYTIKG-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669684 802601512 /nfs/dbraw/zinc/60/15/12/802601512.db2.gz VNNDHVQMAXLNEA-IAGOWNOFSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815206 802617686 /nfs/dbraw/zinc/61/76/86/802617686.db2.gz ZLGUKFPSFIFJTL-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815206 802617688 /nfs/dbraw/zinc/61/76/88/802617688.db2.gz ZLGUKFPSFIFJTL-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001221815206 802617693 /nfs/dbraw/zinc/61/76/93/802617693.db2.gz ZLGUKFPSFIFJTL-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083795 802639187 /nfs/dbraw/zinc/63/91/87/802639187.db2.gz NDRZWNKZEYEPFO-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001222976333 802754094 /nfs/dbraw/zinc/75/40/94/802754094.db2.gz LPWSDMUGVSETNA-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223832225 802817494 /nfs/dbraw/zinc/81/74/94/802817494.db2.gz OIXWDXXGAWQJRM-HNNXBMFYSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525403 803247760 /nfs/dbraw/zinc/24/77/60/803247760.db2.gz VKQMPJUGBNTFNV-HZPDHXFCSA-N 2 1 304.438 2.175 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001228274358 803337685 /nfs/dbraw/zinc/33/76/85/803337685.db2.gz UVMMVDPVQJAMAQ-CQSZACIVSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001328765703 1148832796 /nfs/dbraw/zinc/83/27/96/1148832796.db2.gz NPHJHCXQDPBDEM-GDBMZVCRSA-N 2 1 304.438 2.230 20 30 DEEDMP C#CCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001499998442 1058423185 /nfs/dbraw/zinc/42/31/85/1058423185.db2.gz OGAHRRLTPIYRPH-UHFFFAOYSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001501195976 1059365014 /nfs/dbraw/zinc/36/50/14/1059365014.db2.gz LTUIQNCBHJXOCI-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001502829013 1060335844 /nfs/dbraw/zinc/33/58/44/1060335844.db2.gz LXCKVTXGDKRHBF-CVEARBPZSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001503023407 1060425881 /nfs/dbraw/zinc/42/58/81/1060425881.db2.gz LSTUVCMWANUGFA-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436640 1060594674 /nfs/dbraw/zinc/59/46/74/1060594674.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436640 1060594690 /nfs/dbraw/zinc/59/46/90/1060594690.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436640 1060594703 /nfs/dbraw/zinc/59/47/03/1060594703.db2.gz BBLVZQDLWXXQOQ-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001505449796 1060614943 /nfs/dbraw/zinc/61/49/43/1060614943.db2.gz OZJBAYQQHGKTSE-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001505449796 1060614948 /nfs/dbraw/zinc/61/49/48/1060614948.db2.gz OZJBAYQQHGKTSE-MRXNPFEDSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001505473850 1060643081 /nfs/dbraw/zinc/64/30/81/1060643081.db2.gz ZCTIIOKUJIDGSX-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473850 1060643087 /nfs/dbraw/zinc/64/30/87/1060643087.db2.gz ZCTIIOKUJIDGSX-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001505473850 1060643103 /nfs/dbraw/zinc/64/31/03/1060643103.db2.gz ZCTIIOKUJIDGSX-ZWKOTPCHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001479368148 1061417841 /nfs/dbraw/zinc/41/78/41/1061417841.db2.gz CVTBXSKQSPSXBO-BQJWPVKWSA-N 2 1 307.482 2.166 20 30 DEEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001479687381 1061599782 /nfs/dbraw/zinc/59/97/82/1061599782.db2.gz GARYNMJUSBPHDJ-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480027607 1062206483 /nfs/dbraw/zinc/20/64/83/1062206483.db2.gz NBLJKGYSARBYMJ-SJORKVTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001480027607 1062206490 /nfs/dbraw/zinc/20/64/90/1062206490.db2.gz NBLJKGYSARBYMJ-SJORKVTESA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001480403189 1062809320 /nfs/dbraw/zinc/80/93/20/1062809320.db2.gz OVHLFPUJHLLIRS-QQFBHYJXSA-N 2 1 316.449 2.047 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001507358850 1063151775 /nfs/dbraw/zinc/15/17/75/1063151775.db2.gz XXIOASWPMPEQGH-SJLPKXTDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001493006869 1063473176 /nfs/dbraw/zinc/47/31/76/1063473176.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493006869 1063473181 /nfs/dbraw/zinc/47/31/81/1063473181.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001493006869 1063473182 /nfs/dbraw/zinc/47/31/82/1063473182.db2.gz VZSDEPPLEVFMCO-KRWDZBQOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256337 1063671801 /nfs/dbraw/zinc/67/18/01/1063671801.db2.gz AXKWTCJAZCXJJM-CVEARBPZSA-N 2 1 318.465 2.146 20 30 DEEDMP CC#CC[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001493290477 1063698718 /nfs/dbraw/zinc/69/87/18/1063698718.db2.gz IHNJYIDEWXVGMP-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001493694998 1063922443 /nfs/dbraw/zinc/92/24/43/1063922443.db2.gz CETYBUYNVKOLGL-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494018183 1064084925 /nfs/dbraw/zinc/08/49/25/1064084925.db2.gz FRNROTGAPCEGHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494018183 1064084930 /nfs/dbraw/zinc/08/49/30/1064084930.db2.gz FRNROTGAPCEGHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494018183 1064084936 /nfs/dbraw/zinc/08/49/36/1064084936.db2.gz FRNROTGAPCEGHP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001494082460 1064117995 /nfs/dbraw/zinc/11/79/95/1064117995.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494082460 1064118000 /nfs/dbraw/zinc/11/80/00/1064118000.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494082460 1064118004 /nfs/dbraw/zinc/11/80/04/1064118004.db2.gz GXUGNTMIVXCBAV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567689794 1064346926 /nfs/dbraw/zinc/34/69/26/1064346926.db2.gz XPIXNBWGBVSCFN-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567712580 1064369815 /nfs/dbraw/zinc/36/98/15/1064369815.db2.gz WULLXWOPJANJHX-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001567746454 1064400101 /nfs/dbraw/zinc/40/01/01/1064400101.db2.gz FPCOUAUYUSDOTF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001567746454 1064400108 /nfs/dbraw/zinc/40/01/08/1064400108.db2.gz FPCOUAUYUSDOTF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001567746454 1064400117 /nfs/dbraw/zinc/40/01/17/1064400117.db2.gz FPCOUAUYUSDOTF-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914757 1064513659 /nfs/dbraw/zinc/51/36/59/1064513659.db2.gz GSCQAAWNTSNDPM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914757 1064513676 /nfs/dbraw/zinc/51/36/76/1064513676.db2.gz GSCQAAWNTSNDPM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914757 1064513692 /nfs/dbraw/zinc/51/36/92/1064513692.db2.gz GSCQAAWNTSNDPM-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001568148310 1064671288 /nfs/dbraw/zinc/67/12/88/1064671288.db2.gz MDBKPEAYYRFPHG-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001568299985 1064763586 /nfs/dbraw/zinc/76/35/86/1064763586.db2.gz ICHVLGBTTOCBDY-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568401569 1064838091 /nfs/dbraw/zinc/83/80/91/1064838091.db2.gz VSMCUFAVTPDPAH-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568928060 1065196722 /nfs/dbraw/zinc/19/67/22/1065196722.db2.gz HAXHNEKEQKJBSF-IYKSTZQJSA-N 2 1 313.873 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001569546113 1065583242 /nfs/dbraw/zinc/58/32/42/1065583242.db2.gz FGSKVWRLWODERV-KRWDZBQOSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCCC)CC1 ZINC001569587303 1065610959 /nfs/dbraw/zinc/61/09/59/1065610959.db2.gz NOEPDPWQHKHZFP-SJLPKXTDSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001569696216 1065676711 /nfs/dbraw/zinc/67/67/11/1065676711.db2.gz YPGHDZPHWAQMJO-LJQANCHMSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001569696216 1065676717 /nfs/dbraw/zinc/67/67/17/1065676717.db2.gz YPGHDZPHWAQMJO-LJQANCHMSA-N 2 1 315.461 2.133 20 30 DEEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001569921635 1065826985 /nfs/dbraw/zinc/82/69/85/1065826985.db2.gz OYGVROROKJMFJO-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001569921635 1065826996 /nfs/dbraw/zinc/82/69/96/1065826996.db2.gz OYGVROROKJMFJO-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001569921635 1065827019 /nfs/dbraw/zinc/82/70/19/1065827019.db2.gz OYGVROROKJMFJO-ZWKOTPCHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001570212038 1065974679 /nfs/dbraw/zinc/97/46/79/1065974679.db2.gz QHAADVSUEXWWNG-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001570448646 1066076424 /nfs/dbraw/zinc/07/64/24/1066076424.db2.gz GKLGKIZKEWZJGZ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001570501723 1066097337 /nfs/dbraw/zinc/09/73/37/1066097337.db2.gz SMQOHFOMJKJTLV-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001570501723 1066097340 /nfs/dbraw/zinc/09/73/40/1066097340.db2.gz SMQOHFOMJKJTLV-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001498301467 1066623062 /nfs/dbraw/zinc/62/30/62/1066623062.db2.gz NSSVBCCNQIXOSM-ZDUSSCGKSA-N 2 1 309.479 2.436 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498317911 1066631269 /nfs/dbraw/zinc/63/12/69/1066631269.db2.gz VEWYPVOZQTVBCA-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001498770665 1066877172 /nfs/dbraw/zinc/87/71/72/1066877172.db2.gz PSMUKXCCLKVNFL-SJORKVTESA-N 2 1 305.466 2.064 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498978313 1066997320 /nfs/dbraw/zinc/99/73/20/1066997320.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498978313 1066997330 /nfs/dbraw/zinc/99/73/30/1066997330.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP CCCCCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498978313 1066997339 /nfs/dbraw/zinc/99/73/39/1066997339.db2.gz AWHHXJKWOARILN-IXDOHACOSA-N 2 1 309.498 2.488 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483366988 1078485272 /nfs/dbraw/zinc/48/52/72/1078485272.db2.gz AHUYBSPSVYONEM-INIZCTEOSA-N 2 1 317.477 2.417 20 30 DEEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001499482345 1067233871 /nfs/dbraw/zinc/23/38/71/1067233871.db2.gz VAFUTQTUTCUDFZ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001499482345 1067233879 /nfs/dbraw/zinc/23/38/79/1067233879.db2.gz VAFUTQTUTCUDFZ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001499835751 1067353380 /nfs/dbraw/zinc/35/33/80/1067353380.db2.gz PEFNDWCADDURPH-JKSUJKDBSA-N 2 1 307.482 2.406 20 30 DEEDMP N#Cc1c(F)cccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001580057229 1067485245 /nfs/dbraw/zinc/48/52/45/1067485245.db2.gz QCHYNCCETMAZEI-YJBOKZPZSA-N 2 1 317.408 2.416 20 30 DEEDMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483466642 1078552072 /nfs/dbraw/zinc/55/20/72/1078552072.db2.gz OFDDAQRMPORXMW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001267151832 1078616212 /nfs/dbraw/zinc/61/62/12/1078616212.db2.gz VOXXRSQEPIZTPD-WMZOPIPTSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001570834710 1068133626 /nfs/dbraw/zinc/13/36/26/1068133626.db2.gz HGCVBLWOXIZWFX-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639550 1068453760 /nfs/dbraw/zinc/45/37/60/1068453760.db2.gz QPKIDQQLJVLOFK-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001571650562 1068459728 /nfs/dbraw/zinc/45/97/28/1068459728.db2.gz XSXYVEYDJVQLJZ-CVEARBPZSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001483698843 1078818449 /nfs/dbraw/zinc/81/84/49/1078818449.db2.gz XHOBGCOEERKJPA-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCC1 ZINC001574888983 1069287426 /nfs/dbraw/zinc/28/74/26/1069287426.db2.gz JWCCCPJDBBYHGJ-CALCHBBNSA-N 2 1 317.477 2.160 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267482391 1078905534 /nfs/dbraw/zinc/90/55/34/1078905534.db2.gz SEZPTENJOLWHSC-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267482391 1078905536 /nfs/dbraw/zinc/90/55/36/1078905536.db2.gz SEZPTENJOLWHSC-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267482391 1078905539 /nfs/dbraw/zinc/90/55/39/1078905539.db2.gz SEZPTENJOLWHSC-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593989 1079109528 /nfs/dbraw/zinc/10/95/28/1079109528.db2.gz WMZUIDOLXQAKSP-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267603579 1079164435 /nfs/dbraw/zinc/16/44/35/1079164435.db2.gz VALKZPREDMLJOS-KRWDZBQOSA-N 2 1 321.509 2.465 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481106130 1079189453 /nfs/dbraw/zinc/18/94/53/1079189453.db2.gz QAWSLUKAERZNES-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481106130 1079189456 /nfs/dbraw/zinc/18/94/56/1079189456.db2.gz QAWSLUKAERZNES-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481106130 1079189460 /nfs/dbraw/zinc/18/94/60/1079189460.db2.gz QAWSLUKAERZNES-DLBZAZTESA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001279241652 1079309970 /nfs/dbraw/zinc/30/99/70/1079309970.db2.gz HKNLBSRUHHFZFR-CGZBRXJRSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566745688 1074995759 /nfs/dbraw/zinc/99/57/59/1074995759.db2.gz RQCPKVXHYHWZKK-IRXDYDNUSA-N 2 1 309.498 2.319 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001560489380 1075141028 /nfs/dbraw/zinc/14/10/28/1075141028.db2.gz MGAWBWTVIMBOMG-UHFFFAOYSA-N 2 1 316.445 2.394 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001560489380 1075141036 /nfs/dbraw/zinc/14/10/36/1075141036.db2.gz MGAWBWTVIMBOMG-UHFFFAOYSA-N 2 1 316.445 2.394 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565834964 1075193711 /nfs/dbraw/zinc/19/37/11/1075193711.db2.gz FGUUDXICLGILGP-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001565834964 1075193712 /nfs/dbraw/zinc/19/37/12/1075193712.db2.gz FGUUDXICLGILGP-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001565942638 1075209186 /nfs/dbraw/zinc/20/91/86/1075209186.db2.gz CNIXXPSYSJPEIM-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001566791698 1075346397 /nfs/dbraw/zinc/34/63/97/1075346397.db2.gz NACJWDPFAYITBD-OVYGPGRDSA-N 2 1 307.482 2.308 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267706609 1079394374 /nfs/dbraw/zinc/39/43/74/1079394374.db2.gz FFZNDABDGMLHOZ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001267706609 1079394381 /nfs/dbraw/zinc/39/43/81/1079394381.db2.gz FFZNDABDGMLHOZ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001267706609 1079394386 /nfs/dbraw/zinc/39/43/86/1079394386.db2.gz FFZNDABDGMLHOZ-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001566893962 1075376856 /nfs/dbraw/zinc/37/68/56/1075376856.db2.gz SCMJKALMZHMADY-JKSUJKDBSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001566972837 1075404072 /nfs/dbraw/zinc/40/40/72/1075404072.db2.gz NHUXMSYWIUWUMM-QXDIGNSFSA-N 2 1 319.493 2.262 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173668 1075453319 /nfs/dbraw/zinc/45/33/19/1075453319.db2.gz WCPORUMKSBSRDZ-CVEARBPZSA-N 2 1 316.449 2.047 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC)C2)CC1 ZINC001267754636 1079455569 /nfs/dbraw/zinc/45/55/69/1079455569.db2.gz RHRUICSKLLLSAL-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267758994 1079461579 /nfs/dbraw/zinc/46/15/79/1079461579.db2.gz VAEOXJSYUOQWEW-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP CC#CC[NH2+][C@H](CC)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001267812908 1079510606 /nfs/dbraw/zinc/51/06/06/1079510606.db2.gz IYGBSRHFHMZHIE-MRXNPFEDSA-N 2 1 307.482 2.149 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267831342 1079522221 /nfs/dbraw/zinc/52/22/21/1079522221.db2.gz PJGKOBNMSLRBHM-IAGOWNOFSA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267897003 1079583200 /nfs/dbraw/zinc/58/32/00/1079583200.db2.gz HLAFTBYOZAHPOH-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999451 1079680676 /nfs/dbraw/zinc/68/06/76/1079680676.db2.gz WAAJQZMTDAMRHL-GOEBONIOSA-N 2 1 318.465 2.062 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001481358561 1079753493 /nfs/dbraw/zinc/75/34/93/1079753493.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001481358561 1079753498 /nfs/dbraw/zinc/75/34/98/1079753498.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C(C)C ZINC001481358561 1079753500 /nfs/dbraw/zinc/75/35/00/1079753500.db2.gz VHQYSHGEMMEPHH-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001484986983 1079900186 /nfs/dbraw/zinc/90/01/86/1079900186.db2.gz WNSMDWQZKPGSOP-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001484986983 1079900191 /nfs/dbraw/zinc/90/01/91/1079900191.db2.gz WNSMDWQZKPGSOP-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001485073115 1079958665 /nfs/dbraw/zinc/95/86/65/1079958665.db2.gz KPNBPKTUSNKGAB-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001485073115 1079958674 /nfs/dbraw/zinc/95/86/74/1079958674.db2.gz KPNBPKTUSNKGAB-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C#CCOCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001654520549 1079968408 /nfs/dbraw/zinc/96/84/08/1079968408.db2.gz KNQOUPYQRMENNI-WOJBJXKFSA-N 2 1 312.457 2.480 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001481510579 1079972911 /nfs/dbraw/zinc/97/29/11/1079972911.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481510579 1079972914 /nfs/dbraw/zinc/97/29/14/1079972914.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481510579 1079972923 /nfs/dbraw/zinc/97/29/23/1079972923.db2.gz YZYOTECHKBCPSK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001268138442 1080106308 /nfs/dbraw/zinc/10/63/08/1080106308.db2.gz QTSQNNVJJKDLJQ-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001656909883 1080138712 /nfs/dbraw/zinc/13/87/12/1080138712.db2.gz SIPPSGMVSQHFTH-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001485434129 1080204646 /nfs/dbraw/zinc/20/46/46/1080204646.db2.gz JXXHHDKOCUOBAO-QZTJIDSGSA-N 2 1 321.509 2.203 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268251966 1080231821 /nfs/dbraw/zinc/23/18/21/1080231821.db2.gz SKRMJXSYZNSRKH-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268251966 1080231831 /nfs/dbraw/zinc/23/18/31/1080231831.db2.gz SKRMJXSYZNSRKH-INIZCTEOSA-N 2 1 318.465 2.110 20 30 DEEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001485484062 1080233780 /nfs/dbraw/zinc/23/37/80/1080233780.db2.gz GVYUWRQRTIEIMM-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001485484062 1080233788 /nfs/dbraw/zinc/23/37/88/1080233788.db2.gz GVYUWRQRTIEIMM-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001485484062 1080233794 /nfs/dbraw/zinc/23/37/94/1080233794.db2.gz GVYUWRQRTIEIMM-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001268265557 1080245375 /nfs/dbraw/zinc/24/53/75/1080245375.db2.gz ABEKTIGFFKGWJA-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001268265556 1080245847 /nfs/dbraw/zinc/24/58/47/1080245847.db2.gz ABEKTIGFFKGWJA-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001485506826 1080268130 /nfs/dbraw/zinc/26/81/30/1080268130.db2.gz QXYYWFWJBAKKGK-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001480083937 1151584577 /nfs/dbraw/zinc/58/45/77/1151584577.db2.gz IKPBHIBTTUHKOU-ZWKOTPCHSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001661213409 1080457789 /nfs/dbraw/zinc/45/77/89/1080457789.db2.gz QZWFTENJBWRERX-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213409 1080457795 /nfs/dbraw/zinc/45/77/95/1080457795.db2.gz QZWFTENJBWRERX-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001661213409 1080457797 /nfs/dbraw/zinc/45/77/97/1080457797.db2.gz QZWFTENJBWRERX-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001661556190 1080494604 /nfs/dbraw/zinc/49/46/04/1080494604.db2.gz QUEQCOFZAHTFFB-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001481880854 1080571642 /nfs/dbraw/zinc/57/16/42/1080571642.db2.gz HXAKIUAMUFVUOI-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001662839955 1080666410 /nfs/dbraw/zinc/66/64/10/1080666410.db2.gz ZGFWZIBABGROTR-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001662867039 1080670125 /nfs/dbraw/zinc/67/01/25/1080670125.db2.gz DQFVSWDUQMTRRW-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001664673207 1080939601 /nfs/dbraw/zinc/93/96/01/1080939601.db2.gz HOOGCELDCCXBLV-OAHLLOKOSA-N 2 1 310.401 2.123 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001665313834 1081012999 /nfs/dbraw/zinc/01/29/99/1081012999.db2.gz ZJUYQKKOAOPYQU-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001665405660 1081025028 /nfs/dbraw/zinc/02/50/28/1081025028.db2.gz OIEGSFSERNJMCV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001665405660 1081025035 /nfs/dbraw/zinc/02/50/35/1081025035.db2.gz OIEGSFSERNJMCV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001665405660 1081025042 /nfs/dbraw/zinc/02/50/42/1081025042.db2.gz OIEGSFSERNJMCV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001665405660 1081025050 /nfs/dbraw/zinc/02/50/50/1081025050.db2.gz OIEGSFSERNJMCV-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001666383020 1081148851 /nfs/dbraw/zinc/14/88/51/1081148851.db2.gz SJAHEJJZIDJABV-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001269251150 1081184082 /nfs/dbraw/zinc/18/40/82/1081184082.db2.gz LXBYBEXBFYEALG-JKSUJKDBSA-N 2 1 304.438 2.189 20 30 DEEDMP C=CCN1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)C1 ZINC001269251150 1081184084 /nfs/dbraw/zinc/18/40/84/1081184084.db2.gz LXBYBEXBFYEALG-JKSUJKDBSA-N 2 1 304.438 2.189 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001667285479 1081233745 /nfs/dbraw/zinc/23/37/45/1081233745.db2.gz SBIPJVFWAGRPGN-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950089895 1081268296 /nfs/dbraw/zinc/26/82/96/1081268296.db2.gz PWSXRXPRWNZMHG-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001269751631 1081355610 /nfs/dbraw/zinc/35/56/10/1081355610.db2.gz LWTKLOZWWPXDEW-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001668555921 1081367792 /nfs/dbraw/zinc/36/77/92/1081367792.db2.gz ZKDAKTYQJCLVOW-KRWDZBQOSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812364 1081408166 /nfs/dbraw/zinc/40/81/66/1081408166.db2.gz KLKOKCHEMVOVLX-OWSLCNJRSA-N 2 1 317.477 2.158 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001269972903 1081413563 /nfs/dbraw/zinc/41/35/63/1081413563.db2.gz PWRUZJHVRJDYFT-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CCC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403794 1081519020 /nfs/dbraw/zinc/51/90/20/1081519020.db2.gz MIHMATNYLYLWMO-QZTJIDSGSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001671542791 1081522562 /nfs/dbraw/zinc/52/25/62/1081522562.db2.gz XBCYQOMQCNFNTD-ROUUACIJSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001672419239 1081595810 /nfs/dbraw/zinc/59/58/10/1081595810.db2.gz DBMKRSLFMSAFSO-OAGGEKHMSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC001672419239 1081595814 /nfs/dbraw/zinc/59/58/14/1081595814.db2.gz DBMKRSLFMSAFSO-OAGGEKHMSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC001672419239 1081595820 /nfs/dbraw/zinc/59/58/20/1081595820.db2.gz DBMKRSLFMSAFSO-OAGGEKHMSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001674505507 1081884167 /nfs/dbraw/zinc/88/41/67/1081884167.db2.gz OLEAHAATSHSXIC-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC001271839037 1082169540 /nfs/dbraw/zinc/16/95/40/1082169540.db2.gz PVLPNZRXKBOLAC-AEFFLSMTSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1CC ZINC001670586984 1082189232 /nfs/dbraw/zinc/18/92/32/1082189232.db2.gz DHFAOKQVWOCXRM-DLBZAZTESA-N 2 1 321.509 2.204 20 30 DEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC001271923391 1082194872 /nfs/dbraw/zinc/19/48/72/1082194872.db2.gz UTRKMHUHTGCBAS-ZWKOTPCHSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001272016634 1082271544 /nfs/dbraw/zinc/27/15/44/1082271544.db2.gz SRLLIGOTUXXXJB-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001272016634 1082271549 /nfs/dbraw/zinc/27/15/49/1082271549.db2.gz SRLLIGOTUXXXJB-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001272016634 1082271554 /nfs/dbraw/zinc/27/15/54/1082271554.db2.gz SRLLIGOTUXXXJB-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482661965 1082441762 /nfs/dbraw/zinc/44/17/62/1082441762.db2.gz IEBNBCSMCSWSET-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266901888 1082441943 /nfs/dbraw/zinc/44/19/43/1082441943.db2.gz DJBPWUSBPCWRJV-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266901888 1082441945 /nfs/dbraw/zinc/44/19/45/1082441945.db2.gz DJBPWUSBPCWRJV-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266901888 1082441947 /nfs/dbraw/zinc/44/19/47/1082441947.db2.gz DJBPWUSBPCWRJV-QXDIGNSFSA-N 2 1 317.477 2.016 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@H]21 ZINC001482669278 1082451858 /nfs/dbraw/zinc/45/18/58/1082451858.db2.gz YYAKGPDIIVCKKG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001482669278 1082451859 /nfs/dbraw/zinc/45/18/59/1082451859.db2.gz YYAKGPDIIVCKKG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001482669278 1082451860 /nfs/dbraw/zinc/45/18/60/1082451860.db2.gz YYAKGPDIIVCKKG-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001409311325 1082757762 /nfs/dbraw/zinc/75/77/62/1082757762.db2.gz SFUMHQOYYJYJMV-UHFFFAOYSA-N 2 1 315.889 2.201 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438919 1083396343 /nfs/dbraw/zinc/39/63/43/1083396343.db2.gz MWRQWAZYECNKOW-ZIFCJYIRSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001671138567 1083403292 /nfs/dbraw/zinc/40/32/92/1083403292.db2.gz ZZWYMFFNIAZDNQ-WBVHZDCISA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546940 1083476399 /nfs/dbraw/zinc/47/63/99/1083476399.db2.gz UDIKPBDKIWHAMU-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546940 1083476412 /nfs/dbraw/zinc/47/64/12/1083476412.db2.gz UDIKPBDKIWHAMU-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546940 1083476415 /nfs/dbraw/zinc/47/64/15/1083476415.db2.gz UDIKPBDKIWHAMU-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633065 1083542696 /nfs/dbraw/zinc/54/26/96/1083542696.db2.gz HUIFPCYTEGGKDZ-IEBWSBKVSA-N 2 1 319.493 2.409 20 30 DEEDMP C#CC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001277416982 1083958161 /nfs/dbraw/zinc/95/81/61/1083958161.db2.gz BEOZJWGLQZTEQQ-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC001495562279 1084036914 /nfs/dbraw/zinc/03/69/14/1084036914.db2.gz QGDWSNJFVSMUGK-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)C ZINC001495562279 1084036924 /nfs/dbraw/zinc/03/69/24/1084036924.db2.gz QGDWSNJFVSMUGK-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001272786711 1084053538 /nfs/dbraw/zinc/05/35/38/1084053538.db2.gz UBXRFHOELSALLZ-VPLLLXJESA-N 2 1 319.493 2.147 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937458 1084387817 /nfs/dbraw/zinc/38/78/17/1084387817.db2.gz FCNCTDVRAJSVBM-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486518855 1085402569 /nfs/dbraw/zinc/40/25/69/1085402569.db2.gz AAJUDANPTALAOY-QGZVFWFLSA-N 2 1 307.482 2.287 20 30 DEEDMP C=CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181309 1085627092 /nfs/dbraw/zinc/62/70/92/1085627092.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181309 1085627097 /nfs/dbraw/zinc/62/70/97/1085627097.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181309 1085627099 /nfs/dbraw/zinc/62/70/99/1085627099.db2.gz JDAPGCMIWHGABT-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963787150 1086559219 /nfs/dbraw/zinc/55/92/19/1086559219.db2.gz GVFUVJWWJBAFGF-LMBQMVEXSA-N 2 1 305.466 2.062 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000957077137 1088014923 /nfs/dbraw/zinc/01/49/23/1088014923.db2.gz QLPMPFOYKQBYLM-UHFFFAOYSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080013493 1088561813 /nfs/dbraw/zinc/56/18/13/1088561813.db2.gz KZZOIFISILULHG-CXAGYDPISA-N 2 1 312.417 2.269 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513282 1089997065 /nfs/dbraw/zinc/99/70/65/1089997065.db2.gz HGDIVBOHGGIHBV-JFIYKMOQSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290440 /nfs/dbraw/zinc/29/04/40/1090290440.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290445 /nfs/dbraw/zinc/29/04/45/1090290445.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405583 1090290449 /nfs/dbraw/zinc/29/04/49/1090290449.db2.gz UNPIPKNWGNGUFT-KZNAEPCWSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032402 1090605688 /nfs/dbraw/zinc/60/56/88/1090605688.db2.gz FEQBGWQJSNJXBZ-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032402 1090605692 /nfs/dbraw/zinc/60/56/92/1090605692.db2.gz FEQBGWQJSNJXBZ-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032402 1090605695 /nfs/dbraw/zinc/60/56/95/1090605695.db2.gz FEQBGWQJSNJXBZ-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001273427377 1091351180 /nfs/dbraw/zinc/35/11/80/1091351180.db2.gz INENNOSNVFJELH-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001273427377 1091351190 /nfs/dbraw/zinc/35/11/90/1091351190.db2.gz INENNOSNVFJELH-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001273427377 1091351200 /nfs/dbraw/zinc/35/12/00/1091351200.db2.gz INENNOSNVFJELH-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001274919762 1091478579 /nfs/dbraw/zinc/47/85/79/1091478579.db2.gz QTWMZAKPHXCZAV-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCOc1cccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c1 ZINC001276090413 1091531940 /nfs/dbraw/zinc/53/19/40/1091531940.db2.gz CIOUHVBBJIWZON-UHFFFAOYSA-N 2 1 315.461 2.073 20 30 DEEDMP C=CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001276225985 1091717090 /nfs/dbraw/zinc/71/70/90/1091717090.db2.gz HMRDTHBAOOPDMP-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001671086019 1091763748 /nfs/dbraw/zinc/76/37/48/1091763748.db2.gz UUCVJZWBMIOJFW-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001275605244 1091903516 /nfs/dbraw/zinc/90/35/16/1091903516.db2.gz GTSFZNBKNAEJCQ-UHFFFAOYSA-N 2 1 321.428 2.379 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@H+](CCC[NH+](C)C)CC2)C1=O ZINC001273711333 1092006193 /nfs/dbraw/zinc/00/61/93/1092006193.db2.gz AYJPVTNXUMKAIY-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949042909 1092036613 /nfs/dbraw/zinc/03/66/13/1092036613.db2.gz OHSYSAFUYSJESY-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949042909 1092036621 /nfs/dbraw/zinc/03/66/21/1092036621.db2.gz OHSYSAFUYSJESY-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001275975717 1092416968 /nfs/dbraw/zinc/41/69/68/1092416968.db2.gz LRONHEVDOQFPSA-GOSISDBHSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001275975717 1092416991 /nfs/dbraw/zinc/41/69/91/1092416991.db2.gz LRONHEVDOQFPSA-GOSISDBHSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275975717 1092417002 /nfs/dbraw/zinc/41/70/02/1092417002.db2.gz LRONHEVDOQFPSA-GOSISDBHSA-N 2 1 300.450 2.084 20 30 DEEDMP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275977859 1092424559 /nfs/dbraw/zinc/42/45/59/1092424559.db2.gz FKMIOIMMXGEZCT-HDICACEKSA-N 2 1 314.477 2.286 20 30 DEEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275977859 1092424568 /nfs/dbraw/zinc/42/45/68/1092424568.db2.gz FKMIOIMMXGEZCT-HDICACEKSA-N 2 1 314.477 2.286 20 30 DEEDMP C#CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3cc(C)nn3C)CC[C@@H]2C1 ZINC001275977859 1092424574 /nfs/dbraw/zinc/42/45/74/1092424574.db2.gz FKMIOIMMXGEZCT-HDICACEKSA-N 2 1 314.477 2.286 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC001490700556 1093493523 /nfs/dbraw/zinc/49/35/23/1093493523.db2.gz UIYFTHUQURATAR-ZWKOTPCHSA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001490764968 1093516861 /nfs/dbraw/zinc/51/68/61/1093516861.db2.gz IUEOTDMSODYILQ-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236974018 1138471585 /nfs/dbraw/zinc/47/15/85/1138471585.db2.gz OUIMLHLMELIBDK-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236974018 1138471586 /nfs/dbraw/zinc/47/15/86/1138471586.db2.gz OUIMLHLMELIBDK-INIZCTEOSA-N 2 1 315.436 2.423 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001318428621 1140325483 /nfs/dbraw/zinc/32/54/83/1140325483.db2.gz KZFBJSONDCKHRR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001318428621 1140325493 /nfs/dbraw/zinc/32/54/93/1140325493.db2.gz KZFBJSONDCKHRR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318428621 1140325501 /nfs/dbraw/zinc/32/55/01/1140325501.db2.gz KZFBJSONDCKHRR-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446406 1140333380 /nfs/dbraw/zinc/33/33/80/1140333380.db2.gz VJLWZUBNXCRWKJ-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001318446406 1140333394 /nfs/dbraw/zinc/33/33/94/1140333394.db2.gz VJLWZUBNXCRWKJ-ZWKOTPCHSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001318482204 1140345495 /nfs/dbraw/zinc/34/54/95/1140345495.db2.gz DZVROFXQSFWMGF-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001318684951 1140384836 /nfs/dbraw/zinc/38/48/36/1140384836.db2.gz CCLJPSCKAPHGRX-WMZOPIPTSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001318852600 1140436764 /nfs/dbraw/zinc/43/67/64/1140436764.db2.gz XHELIJBOLBEJCO-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001318999132 1140488704 /nfs/dbraw/zinc/48/87/04/1140488704.db2.gz PJXUXLCDWZVMHK-QGZVFWFLSA-N 2 1 301.434 2.063 20 30 DEEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC)CC1 ZINC001324397174 1142069213 /nfs/dbraw/zinc/06/92/13/1142069213.db2.gz VPLXPZHMZDFPFN-KRWDZBQOSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC001324504742 1142090629 /nfs/dbraw/zinc/09/06/29/1142090629.db2.gz FACDHLKJQPLVRU-BBRMVZONSA-N 2 1 304.438 2.039 20 30 DEEDMP CCCCCCCC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252133312 1142650233 /nfs/dbraw/zinc/65/02/33/1142650233.db2.gz IFAWUJCSSMXNLS-GOSISDBHSA-N 2 1 313.530 2.325 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252483206 1142730929 /nfs/dbraw/zinc/73/09/29/1142730929.db2.gz RLVWGWOJPQRXNW-RTBURBONSA-N 2 1 318.461 2.052 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252945030 1142832843 /nfs/dbraw/zinc/83/28/43/1142832843.db2.gz WHWWQDCWFWNJKV-BHIYHBOVSA-N 2 1 313.445 2.295 20 30 DEEDMP N#C[C@H]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252945030 1142832844 /nfs/dbraw/zinc/83/28/44/1142832844.db2.gz WHWWQDCWFWNJKV-BHIYHBOVSA-N 2 1 313.445 2.295 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341805037 1143714542 /nfs/dbraw/zinc/71/45/42/1143714542.db2.gz HPGZFIQBQWUJSE-MSOLQXFVSA-N 2 1 315.461 2.403 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001264126634 1144476409 /nfs/dbraw/zinc/47/64/09/1144476409.db2.gz VWMNUBPYERXUCG-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001264127448 1144478008 /nfs/dbraw/zinc/47/80/08/1144478008.db2.gz FTURWJGQFNCRGN-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001264433504 1144538819 /nfs/dbraw/zinc/53/88/19/1144538819.db2.gz FUEFHFSESBPMEH-SHTZXODSSA-N 2 1 304.438 2.067 20 30 DEEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265233293 1144673699 /nfs/dbraw/zinc/67/36/99/1144673699.db2.gz QDYCGNYGMOQOLX-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001265235793 1144674695 /nfs/dbraw/zinc/67/46/95/1144674695.db2.gz WDQQXTQQIWKBAW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001265235793 1144674701 /nfs/dbraw/zinc/67/47/01/1144674701.db2.gz WDQQXTQQIWKBAW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001265235793 1144674708 /nfs/dbraw/zinc/67/47/08/1144674708.db2.gz WDQQXTQQIWKBAW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001265394952 1144701770 /nfs/dbraw/zinc/70/17/70/1144701770.db2.gz MANJTAVCEZCZKB-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001265394952 1144701771 /nfs/dbraw/zinc/70/17/71/1144701771.db2.gz MANJTAVCEZCZKB-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001265394952 1144701772 /nfs/dbraw/zinc/70/17/72/1144701772.db2.gz MANJTAVCEZCZKB-KSZLIROESA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1=CCCCC1 ZINC001265864649 1144748647 /nfs/dbraw/zinc/74/86/47/1144748647.db2.gz LKAZDOBNVRWVES-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001265864649 1144748650 /nfs/dbraw/zinc/74/86/50/1144748650.db2.gz LKAZDOBNVRWVES-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001265864649 1144748652 /nfs/dbraw/zinc/74/86/52/1144748652.db2.gz LKAZDOBNVRWVES-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001265864649 1144748654 /nfs/dbraw/zinc/74/86/54/1144748654.db2.gz LKAZDOBNVRWVES-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266222903 1144816172 /nfs/dbraw/zinc/81/61/72/1144816172.db2.gz GVHYIQSHZLYLRO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266222903 1144816173 /nfs/dbraw/zinc/81/61/73/1144816173.db2.gz GVHYIQSHZLYLRO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266222903 1144816174 /nfs/dbraw/zinc/81/61/74/1144816174.db2.gz GVHYIQSHZLYLRO-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001279704308 1144827426 /nfs/dbraw/zinc/82/74/26/1144827426.db2.gz SVBBYUCKGBJEFN-QGZVFWFLSA-N 2 1 319.424 2.202 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001280367975 1144836990 /nfs/dbraw/zinc/83/69/90/1144836990.db2.gz YATWMPGKJJGJRS-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001280777198 1144854867 /nfs/dbraw/zinc/85/48/67/1144854867.db2.gz OCAJPFBOYWZESM-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281021470 1144868702 /nfs/dbraw/zinc/86/87/02/1144868702.db2.gz NOGSIRDRSXADAU-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001282263660 1145026788 /nfs/dbraw/zinc/02/67/88/1145026788.db2.gz PFKCEZQUNYBZQT-OFLPRAFFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001282716233 1145141626 /nfs/dbraw/zinc/14/16/26/1145141626.db2.gz HZRGHWSYYDIYIA-LSDHHAIUSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001283666280 1145571633 /nfs/dbraw/zinc/57/16/33/1145571633.db2.gz QFUSCIRFBUGPOC-FUHWJXTLSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@H]12 ZINC001284072889 1145786298 /nfs/dbraw/zinc/78/62/98/1145786298.db2.gz XANIQIGUMZHQAL-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001284072889 1145786305 /nfs/dbraw/zinc/78/63/05/1145786305.db2.gz XANIQIGUMZHQAL-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC001284072889 1145786311 /nfs/dbraw/zinc/78/63/11/1145786311.db2.gz XANIQIGUMZHQAL-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001284654315 1145884523 /nfs/dbraw/zinc/88/45/23/1145884523.db2.gz XWNUUDFGSXSQQY-HNNXBMFYSA-N 2 1 306.454 2.278 20 30 DEEDMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001316824400 1147607702 /nfs/dbraw/zinc/60/77/02/1147607702.db2.gz HRSHEZJQCGXZIP-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001316824400 1147607706 /nfs/dbraw/zinc/60/77/06/1147607706.db2.gz HRSHEZJQCGXZIP-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001316824400 1147607710 /nfs/dbraw/zinc/60/77/10/1147607710.db2.gz HRSHEZJQCGXZIP-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317047066 1147652975 /nfs/dbraw/zinc/65/29/75/1147652975.db2.gz GROWYRLRDJJTOR-HSFUPAIVSA-N 2 1 319.493 2.357 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317047066 1147652977 /nfs/dbraw/zinc/65/29/77/1147652977.db2.gz GROWYRLRDJJTOR-HSFUPAIVSA-N 2 1 319.493 2.357 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001317126374 1147662928 /nfs/dbraw/zinc/66/29/28/1147662928.db2.gz UJQGIYJEOWMVTR-CBZIJGRNSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001317720536 1147747110 /nfs/dbraw/zinc/74/71/10/1147747110.db2.gz HFBDQTROQHGDFI-QGZVFWFLSA-N 2 1 312.417 2.215 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317762234 1147750127 /nfs/dbraw/zinc/75/01/27/1147750127.db2.gz VMAVKIPERUHNIB-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317762234 1147750128 /nfs/dbraw/zinc/75/01/28/1147750128.db2.gz VMAVKIPERUHNIB-KRWDZBQOSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769704 1147750626 /nfs/dbraw/zinc/75/06/26/1147750626.db2.gz IUHKXRRODSRRSY-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001317769704 1147750628 /nfs/dbraw/zinc/75/06/28/1147750628.db2.gz IUHKXRRODSRRSY-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001318228385 1147801278 /nfs/dbraw/zinc/80/12/78/1147801278.db2.gz JWNKDSMLWXFGTK-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001326271967 1148067978 /nfs/dbraw/zinc/06/79/78/1148067978.db2.gz GEPNZTZEUSUQNT-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001326522459 1148128872 /nfs/dbraw/zinc/12/88/72/1148128872.db2.gz UUXVPLFKTPJDRM-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP C[N@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000264071866 529853107 /nfs/dbraw/zinc/85/31/07/529853107.db2.gz DMIRZZNZZKPSPT-UHFFFAOYSA-N 2 1 316.327 2.406 20 30 DEEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000264071866 529853109 /nfs/dbraw/zinc/85/31/09/529853109.db2.gz DMIRZZNZZKPSPT-UHFFFAOYSA-N 2 1 316.327 2.406 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000329855658 539930741 /nfs/dbraw/zinc/93/07/41/539930741.db2.gz UFFAYGQXPGPQCY-ZDUSSCGKSA-N 2 1 302.422 2.337 20 30 DEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083035493 355462467 /nfs/dbraw/zinc/46/24/67/355462467.db2.gz MENLRYGXEGKXAA-DZGCQCFKSA-N 2 1 304.438 2.145 20 30 DEEDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180148576 199122988 /nfs/dbraw/zinc/12/29/88/199122988.db2.gz MJLPTZHNDAESLQ-INIZCTEOSA-N 2 1 323.444 2.342 20 30 DEEDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180148576 199122990 /nfs/dbraw/zinc/12/29/90/199122990.db2.gz MJLPTZHNDAESLQ-INIZCTEOSA-N 2 1 323.444 2.342 20 30 DEEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133458 361281281 /nfs/dbraw/zinc/28/12/81/361281281.db2.gz JRGAVEQURRSXNI-SFHVURJKSA-N 2 1 322.497 2.093 20 30 DEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609133458 361281284 /nfs/dbraw/zinc/28/12/84/361281284.db2.gz JRGAVEQURRSXNI-SFHVURJKSA-N 2 1 322.497 2.093 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000360956491 284686339 /nfs/dbraw/zinc/68/63/39/284686339.db2.gz LZOJMTVMISDGLT-IKGGRYGDSA-N 2 1 322.497 2.237 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CSC)c1 ZINC000187852480 285253843 /nfs/dbraw/zinc/25/38/43/285253843.db2.gz RZNVQNZOPSFGRQ-MRXNPFEDSA-N 2 1 320.506 2.438 20 30 DEEDMP COc1ccc(CCNC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1 ZINC000267386598 533478880 /nfs/dbraw/zinc/47/88/80/533478880.db2.gz BTWUKTZFTAMQIR-UHFFFAOYSA-N 2 1 318.465 2.016 20 30 DEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371302773 148084596 /nfs/dbraw/zinc/08/45/96/148084596.db2.gz ARMXNWFVEUGVAJ-IBGZPJMESA-N 2 1 312.461 2.159 20 30 DEEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000129309496 401802057 /nfs/dbraw/zinc/80/20/57/401802057.db2.gz SYVXRMZOOOOAKP-ZWNOBZJWSA-N 2 1 321.494 2.050 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115823646 401837761 /nfs/dbraw/zinc/83/77/61/401837761.db2.gz YDCNZGZCTCFQMN-MRXNPFEDSA-N 2 1 322.497 2.010 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000136583705 401969749 /nfs/dbraw/zinc/96/97/49/401969749.db2.gz HAINIRWYSWLKBL-SJORKVTESA-N 2 1 319.474 2.477 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1C[C@@H]1C ZINC000103911928 402194393 /nfs/dbraw/zinc/19/43/93/402194393.db2.gz NSGWWZGYTHWODS-IHRRRGAJSA-N 2 1 306.479 2.458 20 30 DEEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160670696 402356102 /nfs/dbraw/zinc/35/61/02/402356102.db2.gz KCNWTYRVEAFTNV-SNVBAGLBSA-N 2 1 316.327 2.264 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000178577452 402513770 /nfs/dbraw/zinc/51/37/70/402513770.db2.gz ZGMFZXJKVDZORK-INIZCTEOSA-N 2 1 309.417 2.473 20 30 DEEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)o3)CC2)nc(C)[nH+]1 ZINC000178615088 402517829 /nfs/dbraw/zinc/51/78/29/402517829.db2.gz FAQYJHUAPVBKMB-UHFFFAOYSA-N 2 1 311.389 2.317 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000246396691 402529332 /nfs/dbraw/zinc/52/93/32/402529332.db2.gz SWOCHVZHAQPPGB-DOTOQJQBSA-N 2 1 322.497 2.009 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000172264950 402647307 /nfs/dbraw/zinc/64/73/07/402647307.db2.gz LQYVPRNZPQKSMZ-KRWDZBQOSA-N 2 1 322.497 2.201 20 30 DEEDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292071807 403283955 /nfs/dbraw/zinc/28/39/55/403283955.db2.gz CVHIODUXUIEAIR-MRXNPFEDSA-N 2 1 311.389 2.002 20 30 DEEDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292071807 403283956 /nfs/dbraw/zinc/28/39/56/403283956.db2.gz CVHIODUXUIEAIR-MRXNPFEDSA-N 2 1 311.389 2.002 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000305078368 403822163 /nfs/dbraw/zinc/82/21/63/403822163.db2.gz LRPZBYHYRRFFKB-SOLBZPMBSA-N 2 1 310.482 2.135 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351850884 403959463 /nfs/dbraw/zinc/95/94/63/403959463.db2.gz KFBDEGSEDWEKRO-KKUMJFAQSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351850884 403959471 /nfs/dbraw/zinc/95/94/71/403959471.db2.gz KFBDEGSEDWEKRO-KKUMJFAQSA-N 2 1 321.490 2.320 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)C2 ZINC000329495347 404356414 /nfs/dbraw/zinc/35/64/14/404356414.db2.gz FQGOLVKWULQUHU-PVXIVEMSSA-N 2 1 302.422 2.193 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@H]1C)C2 ZINC000329495347 404356420 /nfs/dbraw/zinc/35/64/20/404356420.db2.gz FQGOLVKWULQUHU-PVXIVEMSSA-N 2 1 302.422 2.193 20 30 DEEDMP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000330155727 404569374 /nfs/dbraw/zinc/56/93/74/404569374.db2.gz YLQBIXHSSZJJHB-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP C=C(CC)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000358503559 404764970 /nfs/dbraw/zinc/76/49/70/404764970.db2.gz YMIOJMXIUVZSKN-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000353388039 404820053 /nfs/dbraw/zinc/82/00/53/404820053.db2.gz POBSHVTWCVEIIT-HKUYNNGSSA-N 2 1 313.445 2.372 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000360956501 404862044 /nfs/dbraw/zinc/86/20/44/404862044.db2.gz LZOJMTVMISDGLT-IXDOHACOSA-N 2 1 322.497 2.237 20 30 DEEDMP C[N@@H+](C[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000584343900 405861811 /nfs/dbraw/zinc/86/18/11/405861811.db2.gz RNFCJUONJCKOOI-LJQANCHMSA-N 2 1 311.429 2.102 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC000576936400 406834109 /nfs/dbraw/zinc/83/41/09/406834109.db2.gz NEJVDSIAZLPYIF-SFHVURJKSA-N 2 1 318.461 2.365 20 30 DEEDMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C#N ZINC000444000129 533687327 /nfs/dbraw/zinc/68/73/27/533687327.db2.gz CZHKWVZDESVIDX-KRWDZBQOSA-N 2 1 313.445 2.457 20 30 DEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000299425213 279253172 /nfs/dbraw/zinc/25/31/72/279253172.db2.gz XFFJFCFGHDUVFT-GOSISDBHSA-N 2 1 314.477 2.428 20 30 DEEDMP C[C@H](CCC#N)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000299425213 279253174 /nfs/dbraw/zinc/25/31/74/279253174.db2.gz XFFJFCFGHDUVFT-GOSISDBHSA-N 2 1 314.477 2.428 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970998 782090715 /nfs/dbraw/zinc/09/07/15/782090715.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970998 782090720 /nfs/dbraw/zinc/09/07/20/782090720.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970998 782090732 /nfs/dbraw/zinc/09/07/32/782090732.db2.gz XGRGLPDFNHOJDX-SQNIBIBYSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000392816633 337282184 /nfs/dbraw/zinc/28/21/84/337282184.db2.gz QMBXBRWXHDAOBB-CQSZACIVSA-N 2 1 320.433 2.318 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000392816633 337282185 /nfs/dbraw/zinc/28/21/85/337282185.db2.gz QMBXBRWXHDAOBB-CQSZACIVSA-N 2 1 320.433 2.318 20 30 DEEDMP C=C1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000583271899 337297947 /nfs/dbraw/zinc/29/79/47/337297947.db2.gz SQXQUJBJAFLMPR-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548061903 341245302 /nfs/dbraw/zinc/24/53/02/341245302.db2.gz NMFFWTBVJHPFIX-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000566108234 341547950 /nfs/dbraw/zinc/54/79/50/341547950.db2.gz UDJKFJIDMQXKGE-QGZVFWFLSA-N 2 1 304.434 2.056 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001378797716 1152449419 /nfs/dbraw/zinc/44/94/19/1152449419.db2.gz KQCDKULQEFUVJF-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001378797716 1152449421 /nfs/dbraw/zinc/44/94/21/1152449421.db2.gz KQCDKULQEFUVJF-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699762 534457108 /nfs/dbraw/zinc/45/71/08/534457108.db2.gz MGEGHMDWSSMAAX-SJORKVTESA-N 2 1 306.498 2.274 20 30 DEEDMP C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699758 534458073 /nfs/dbraw/zinc/45/80/73/534458073.db2.gz MGEGHMDWSSMAAX-IAGOWNOFSA-N 2 1 306.498 2.274 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779264 526374951 /nfs/dbraw/zinc/37/49/51/526374951.db2.gz LSPYKOUDVQQHJO-QLFBSQMISA-N 2 1 321.490 2.320 20 30 DEEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)NC[C@@H]1CCCS1 ZINC000261978978 526375014 /nfs/dbraw/zinc/37/50/14/526375014.db2.gz OLIDEKCJAOKGRZ-KKUMJFAQSA-N 2 1 312.527 2.310 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442779264 526374957 /nfs/dbraw/zinc/37/49/57/526374957.db2.gz LSPYKOUDVQQHJO-QLFBSQMISA-N 2 1 321.490 2.320 20 30 DEEDMP C[NH+]=C(NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)NC1CC1 ZINC000264024516 526414908 /nfs/dbraw/zinc/41/49/08/526414908.db2.gz AXXBLKCPODWVJS-QGZVFWFLSA-N 2 1 316.449 2.160 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000337208478 526514520 /nfs/dbraw/zinc/51/45/20/526514520.db2.gz QSYWYUFJYJNMIZ-VYDXJSESSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000337208478 526514530 /nfs/dbraw/zinc/51/45/30/526514530.db2.gz QSYWYUFJYJNMIZ-VYDXJSESSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000294877273 526826867 /nfs/dbraw/zinc/82/68/67/526826867.db2.gz DEBQLFKOAORXSA-MRXNPFEDSA-N 2 1 301.434 2.257 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000294877273 526826874 /nfs/dbraw/zinc/82/68/74/526826874.db2.gz DEBQLFKOAORXSA-MRXNPFEDSA-N 2 1 301.434 2.257 20 30 DEEDMP C=CC[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000341425632 527145789 /nfs/dbraw/zinc/14/57/89/527145789.db2.gz BAQKNQDGSAMHIQ-DLBZAZTESA-N 2 1 324.513 2.399 20 30 DEEDMP CCCNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264059922 528162635 /nfs/dbraw/zinc/16/26/35/528162635.db2.gz CMFFONYKTZNYPE-GASCZTMLSA-N 2 1 318.465 2.110 20 30 DEEDMP CC[NH+]=C(NCc1ccsc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262025073 528818905 /nfs/dbraw/zinc/81/89/05/528818905.db2.gz ZMPCIXWBSGEYQG-DOMZBBRYSA-N 2 1 306.479 2.286 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264064991 529071438 /nfs/dbraw/zinc/07/14/38/529071438.db2.gz DVTWFAJZTXSHRE-MRXNPFEDSA-N 2 1 300.450 2.107 20 30 DEEDMP CCc1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267199120 529176402 /nfs/dbraw/zinc/17/64/02/529176402.db2.gz QBWQWMFTUZXYNG-INIZCTEOSA-N 2 1 306.479 2.413 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330467969 1149149334 /nfs/dbraw/zinc/14/93/34/1149149334.db2.gz OBWBAKXVAQARRF-BBWFWOEESA-N 2 1 319.493 2.264 20 30 DEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027648520 634383309 /nfs/dbraw/zinc/38/33/09/634383309.db2.gz XAWNKAWIMHHPRT-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027648520 634383312 /nfs/dbraw/zinc/38/33/12/634383312.db2.gz XAWNKAWIMHHPRT-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027648520 634383316 /nfs/dbraw/zinc/38/33/16/634383316.db2.gz XAWNKAWIMHHPRT-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381173564 1152936393 /nfs/dbraw/zinc/93/63/93/1152936393.db2.gz NGSYFKXWNBXXIC-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001381173564 1152936395 /nfs/dbraw/zinc/93/63/95/1152936395.db2.gz NGSYFKXWNBXXIC-UONOGXRCSA-N 2 1 313.873 2.050 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632382 625364533 /nfs/dbraw/zinc/36/45/33/625364533.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632382 625364535 /nfs/dbraw/zinc/36/45/35/625364535.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001023632382 625364536 /nfs/dbraw/zinc/36/45/36/625364536.db2.gz LLHQVZZMZGLQQX-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025467705 625462006 /nfs/dbraw/zinc/46/20/06/625462006.db2.gz CIXNRMFBLGKDIT-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001026509148 625490405 /nfs/dbraw/zinc/49/04/05/625490405.db2.gz BRZCBOZFRNZBBM-NEXFUWMNSA-N 2 1 302.422 2.106 20 30 DEEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001026591071 625547700 /nfs/dbraw/zinc/54/77/00/625547700.db2.gz OEEFCYCMWXUUAJ-ABHNRTSZSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(Cl)CN1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144883 622588039 /nfs/dbraw/zinc/58/80/39/622588039.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144883 622588045 /nfs/dbraw/zinc/58/80/45/622588045.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000969144883 622588048 /nfs/dbraw/zinc/58/80/48/622588048.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144883 622588053 /nfs/dbraw/zinc/58/80/53/622588053.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000969144883 622588056 /nfs/dbraw/zinc/58/80/56/622588056.db2.gz VVULWUKBIXPGNV-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719254 623639260 /nfs/dbraw/zinc/63/92/60/623639260.db2.gz PGTXXMUDXQKVBJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021602441 623814132 /nfs/dbraw/zinc/81/41/32/623814132.db2.gz HMTMOASPBIFVQR-NVXWUHKLSA-N 2 1 316.449 2.231 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698884 623981331 /nfs/dbraw/zinc/98/13/31/623981331.db2.gz FEJQXGZLYZKJKF-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971542149 624184953 /nfs/dbraw/zinc/18/49/53/624184953.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971542149 624184954 /nfs/dbraw/zinc/18/49/54/624184954.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971542149 624184955 /nfs/dbraw/zinc/18/49/55/624184955.db2.gz ZLOHOIQNEQZWBY-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000971845747 624642460 /nfs/dbraw/zinc/64/24/60/624642460.db2.gz ZYFMWBSCPUEUJE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845747 624642461 /nfs/dbraw/zinc/64/24/61/624642461.db2.gz ZYFMWBSCPUEUJE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000971845747 624642462 /nfs/dbraw/zinc/64/24/62/624642462.db2.gz ZYFMWBSCPUEUJE-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000972156507 624871934 /nfs/dbraw/zinc/87/19/34/624871934.db2.gz MSQZUSOXPHXKKH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156507 624871936 /nfs/dbraw/zinc/87/19/36/624871936.db2.gz MSQZUSOXPHXKKH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC000972156507 624871937 /nfs/dbraw/zinc/87/19/37/624871937.db2.gz MSQZUSOXPHXKKH-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023363890 625238890 /nfs/dbraw/zinc/23/88/90/625238890.db2.gz DXENGVNAERORBV-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023363890 625238895 /nfs/dbraw/zinc/23/88/95/625238895.db2.gz DXENGVNAERORBV-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410111 625257522 /nfs/dbraw/zinc/25/75/22/625257522.db2.gz ODYSWWLYLRWYEY-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410111 625257523 /nfs/dbraw/zinc/25/75/23/625257523.db2.gz ODYSWWLYLRWYEY-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410111 625257525 /nfs/dbraw/zinc/25/75/25/625257525.db2.gz ODYSWWLYLRWYEY-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023413112 625259650 /nfs/dbraw/zinc/25/96/50/625259650.db2.gz AEIGHOJZWWCVSK-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023413112 625259654 /nfs/dbraw/zinc/25/96/54/625259654.db2.gz AEIGHOJZWWCVSK-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023413112 625259663 /nfs/dbraw/zinc/25/96/63/625259663.db2.gz AEIGHOJZWWCVSK-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448097 625772991 /nfs/dbraw/zinc/77/29/91/625772991.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448097 625772996 /nfs/dbraw/zinc/77/29/96/625772996.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448097 625773000 /nfs/dbraw/zinc/77/30/00/625773000.db2.gz BYGBFUGAEJKAEG-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027695390 634450849 /nfs/dbraw/zinc/45/08/49/634450849.db2.gz SQMUPECFMRKVGN-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692905 632923571 /nfs/dbraw/zinc/92/35/71/632923571.db2.gz SXLYCNUEGLTBSL-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024692905 632923577 /nfs/dbraw/zinc/92/35/77/632923577.db2.gz SXLYCNUEGLTBSL-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827845 633124302 /nfs/dbraw/zinc/12/43/02/633124302.db2.gz WXLATFTVYHBWRZ-LSDHHAIUSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649487 633208321 /nfs/dbraw/zinc/20/83/21/633208321.db2.gz GVVKJKSLMIXKTJ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649487 633208323 /nfs/dbraw/zinc/20/83/23/633208323.db2.gz GVVKJKSLMIXKTJ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649487 633208327 /nfs/dbraw/zinc/20/83/27/633208327.db2.gz GVVKJKSLMIXKTJ-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996373231 633249235 /nfs/dbraw/zinc/24/92/35/633249235.db2.gz JHGNIPOPQKDAKP-OAHLLOKOSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460474 633828059 /nfs/dbraw/zinc/82/80/59/633828059.db2.gz LPLWCWHKXFZDJQ-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541622 634060869 /nfs/dbraw/zinc/06/08/69/634060869.db2.gz WGWTVBRDAQWTOH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541622 634060875 /nfs/dbraw/zinc/06/08/75/634060875.db2.gz WGWTVBRDAQWTOH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541622 634060879 /nfs/dbraw/zinc/06/08/79/634060879.db2.gz WGWTVBRDAQWTOH-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027637123 634359414 /nfs/dbraw/zinc/35/94/14/634359414.db2.gz MEVUACUAYCVYSY-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001027877710 634845786 /nfs/dbraw/zinc/84/57/86/634845786.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027877710 634845792 /nfs/dbraw/zinc/84/57/92/634845792.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001027877710 634845796 /nfs/dbraw/zinc/84/57/96/634845796.db2.gz ABTFLZQJRKIDRI-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000980471749 635012990 /nfs/dbraw/zinc/01/29/90/635012990.db2.gz PDSPWTKKLUKBFD-QGZVFWFLSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981169406 635340151 /nfs/dbraw/zinc/34/01/51/635340151.db2.gz WFNJSADQAFXCPY-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438168 635483036 /nfs/dbraw/zinc/48/30/36/635483036.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000981438168 635483039 /nfs/dbraw/zinc/48/30/39/635483039.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438168 635483041 /nfs/dbraw/zinc/48/30/41/635483041.db2.gz KGVMEFNZMRLUIE-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404153 635488087 /nfs/dbraw/zinc/48/80/87/635488087.db2.gz GZABJMDKRJMXEL-ROUUACIJSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001764003 635550795 /nfs/dbraw/zinc/55/07/95/635550795.db2.gz FGMPYLGIAUNXIE-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981767083 635635502 /nfs/dbraw/zinc/63/55/02/635635502.db2.gz HJGRNUWFESWRFS-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767083 635635503 /nfs/dbraw/zinc/63/55/03/635635503.db2.gz HJGRNUWFESWRFS-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767083 635635508 /nfs/dbraw/zinc/63/55/08/635635508.db2.gz HJGRNUWFESWRFS-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808243 /nfs/dbraw/zinc/80/82/43/635808243.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808245 /nfs/dbraw/zinc/80/82/45/635808245.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009112 635808250 /nfs/dbraw/zinc/80/82/50/635808250.db2.gz FVIASOBPDBMHBB-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982016605 635813559 /nfs/dbraw/zinc/81/35/59/635813559.db2.gz RKAZMIZEAGVPJE-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982016605 635813564 /nfs/dbraw/zinc/81/35/64/635813564.db2.gz RKAZMIZEAGVPJE-AWEZNQCLSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)Cn3ccnc3C(C)C)C2)C1 ZINC000982042847 635841898 /nfs/dbraw/zinc/84/18/98/635841898.db2.gz URDXHHBITFGWEK-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982042847 635841908 /nfs/dbraw/zinc/84/19/08/635841908.db2.gz URDXHHBITFGWEK-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982084679 635856717 /nfs/dbraw/zinc/85/67/17/635856717.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084679 635856718 /nfs/dbraw/zinc/85/67/18/635856718.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084679 635856720 /nfs/dbraw/zinc/85/67/20/635856720.db2.gz XSUBTRALXWFECT-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163488 635890616 /nfs/dbraw/zinc/89/06/16/635890616.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163488 635890619 /nfs/dbraw/zinc/89/06/19/635890619.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163488 635890622 /nfs/dbraw/zinc/89/06/22/635890622.db2.gz CJKWYFLNXFZKAI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386581 636151894 /nfs/dbraw/zinc/15/18/94/636151894.db2.gz GKIXFEJXKFYEBU-WCXIOVBPSA-N 2 1 319.474 2.189 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000950708350 636263677 /nfs/dbraw/zinc/26/36/77/636263677.db2.gz YIFAYVAYXXDZGZ-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000950708350 636263678 /nfs/dbraw/zinc/26/36/78/636263678.db2.gz YIFAYVAYXXDZGZ-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573062 636349905 /nfs/dbraw/zinc/34/99/05/636349905.db2.gz IHMADUFTYMMTND-CQSZACIVSA-N 2 1 321.490 2.438 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982796902 636450789 /nfs/dbraw/zinc/45/07/89/636450789.db2.gz AQUWEXONUYXNSQ-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982796902 636450792 /nfs/dbraw/zinc/45/07/92/636450792.db2.gz AQUWEXONUYXNSQ-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982796902 636450794 /nfs/dbraw/zinc/45/07/94/636450794.db2.gz AQUWEXONUYXNSQ-QRQLOZEOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001005474365 636748632 /nfs/dbraw/zinc/74/86/32/636748632.db2.gz BYOFGBZPXAOHNQ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](O)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923334071 637121324 /nfs/dbraw/zinc/12/13/24/637121324.db2.gz AOMCTMQHGLFVQH-ROUUACIJSA-N 2 1 303.450 2.353 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000923334071 637121325 /nfs/dbraw/zinc/12/13/25/637121325.db2.gz AOMCTMQHGLFVQH-ROUUACIJSA-N 2 1 303.450 2.353 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000923556385 637247719 /nfs/dbraw/zinc/24/77/19/637247719.db2.gz WPHOKJZXNIKCHV-QGZVFWFLSA-N 2 1 324.428 2.118 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000923556385 637247724 /nfs/dbraw/zinc/24/77/24/637247724.db2.gz WPHOKJZXNIKCHV-QGZVFWFLSA-N 2 1 324.428 2.118 20 30 DEEDMP C[C@H](C#N)OCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000838997459 637734466 /nfs/dbraw/zinc/73/44/66/637734466.db2.gz QEXVHMJAHZINKU-OAHLLOKOSA-N 2 1 310.401 2.285 20 30 DEEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000989456757 641052881 /nfs/dbraw/zinc/05/28/81/641052881.db2.gz DTXLAFCGYUTQNK-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456757 641052883 /nfs/dbraw/zinc/05/28/83/641052883.db2.gz DTXLAFCGYUTQNK-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000989456757 641052886 /nfs/dbraw/zinc/05/28/86/641052886.db2.gz DTXLAFCGYUTQNK-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C[C@H]1CNC(NN=C2CCCC[C@@H]2[N@@H+]2C[C@H](C)C[C@H](C)C2)=[NH+]1 ZINC000779797188 642540088 /nfs/dbraw/zinc/54/00/88/642540088.db2.gz BJUCOIRDHKEEBI-FQLMCAECSA-N 2 1 305.470 2.200 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905095113 643798880 /nfs/dbraw/zinc/79/88/80/643798880.db2.gz IGQDWBMRLCCYAC-KRWDZBQOSA-N 2 1 310.482 2.063 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991071538 644003132 /nfs/dbraw/zinc/00/31/32/644003132.db2.gz ZCBRXWWWTMUXCT-IIDMSEBBSA-N 2 1 314.433 2.060 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991071538 644003137 /nfs/dbraw/zinc/00/31/37/644003137.db2.gz ZCBRXWWWTMUXCT-IIDMSEBBSA-N 2 1 314.433 2.060 20 30 DEEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913518499 646381211 /nfs/dbraw/zinc/38/12/11/646381211.db2.gz RIIVSDUJDKBRLF-UHFFFAOYSA-N 2 1 315.461 2.213 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992194292 646896757 /nfs/dbraw/zinc/89/67/57/646896757.db2.gz XMTAAQMQKMZYOB-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992194292 646896759 /nfs/dbraw/zinc/89/67/59/646896759.db2.gz XMTAAQMQKMZYOB-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992194292 646896761 /nfs/dbraw/zinc/89/67/61/646896761.db2.gz XMTAAQMQKMZYOB-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCSC2(CCCCC2)C1 ZINC000153566692 647514854 /nfs/dbraw/zinc/51/48/54/647514854.db2.gz FJRZFFQLWOVTTF-OAHLLOKOSA-N 2 1 324.538 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994128945 647790672 /nfs/dbraw/zinc/79/06/72/647790672.db2.gz FDPUHYHRNNXRCZ-AEFFLSMTSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842447 648954610 /nfs/dbraw/zinc/95/46/10/648954610.db2.gz GYKLSMAMNGWWRV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842447 648954612 /nfs/dbraw/zinc/95/46/12/648954612.db2.gz GYKLSMAMNGWWRV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842447 648954616 /nfs/dbraw/zinc/95/46/16/648954616.db2.gz GYKLSMAMNGWWRV-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827857013 649095523 /nfs/dbraw/zinc/09/55/23/649095523.db2.gz WCXVRGKOPCEYKB-IBGZPJMESA-N 2 1 316.445 2.241 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827857013 649095525 /nfs/dbraw/zinc/09/55/25/649095525.db2.gz WCXVRGKOPCEYKB-IBGZPJMESA-N 2 1 316.445 2.241 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372329 649097004 /nfs/dbraw/zinc/09/70/04/649097004.db2.gz CEGDYHAYAFZRPT-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H](C)C1 ZINC000942053853 649145100 /nfs/dbraw/zinc/14/51/00/649145100.db2.gz UYRUQAIAERJBPZ-RHSMWYFYSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582077 649253634 /nfs/dbraw/zinc/25/36/34/649253634.db2.gz ROXXCCVDEHITSN-HOCLYGCPSA-N 2 1 319.449 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286800 649358605 /nfs/dbraw/zinc/35/86/05/649358605.db2.gz GRXMQYXYEWBXDG-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943286800 649358609 /nfs/dbraw/zinc/35/86/09/649358609.db2.gz GRXMQYXYEWBXDG-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028579 649600131 /nfs/dbraw/zinc/60/01/31/649600131.db2.gz JTYLEOXMSVDVAT-YJBOKZPZSA-N 2 1 315.461 2.374 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948575171 649650463 /nfs/dbraw/zinc/65/04/63/649650463.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575171 649650464 /nfs/dbraw/zinc/65/04/64/649650464.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948575171 649650465 /nfs/dbraw/zinc/65/04/65/649650465.db2.gz QTELGCVOYWXCBD-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000854514681 651493104 /nfs/dbraw/zinc/49/31/04/651493104.db2.gz HDGGPUZUJHFUQD-SJLPKXTDSA-N 2 1 313.445 2.247 20 30 DEEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000858334600 652310381 /nfs/dbraw/zinc/31/03/81/652310381.db2.gz BXGXNVHQUPBBOT-LJQANCHMSA-N 2 1 318.436 2.461 20 30 DEEDMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001329742366 1148986307 /nfs/dbraw/zinc/98/63/07/1148986307.db2.gz NCFQYDBEGQXDQH-MRXNPFEDSA-N 2 1 306.454 2.230 20 30 DEEDMP CCO[C@H](CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)C1CCCC1 ZINC000304473879 685255247 /nfs/dbraw/zinc/25/52/47/685255247.db2.gz FUSPKGBQBFCNAR-DLBZAZTESA-N 2 1 324.513 2.360 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813453 685261714 /nfs/dbraw/zinc/26/17/14/685261714.db2.gz YZGUCZHSEAIORY-HOTGVXAUSA-N 2 1 318.465 2.151 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146415 693862205 /nfs/dbraw/zinc/86/22/05/693862205.db2.gz DAGYPKXPXRVVDJ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146415 693862208 /nfs/dbraw/zinc/86/22/08/693862208.db2.gz DAGYPKXPXRVVDJ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146415 693862211 /nfs/dbraw/zinc/86/22/11/693862211.db2.gz DAGYPKXPXRVVDJ-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241207 693895927 /nfs/dbraw/zinc/89/59/27/693895927.db2.gz MWOBKCCWYXQURP-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241207 693895929 /nfs/dbraw/zinc/89/59/29/693895929.db2.gz MWOBKCCWYXQURP-SFHVURJKSA-N 2 1 316.449 2.082 20 30 DEEDMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865428242 687208196 /nfs/dbraw/zinc/20/81/96/687208196.db2.gz RFPDSXLLYNHVAM-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865428242 687208199 /nfs/dbraw/zinc/20/81/99/687208199.db2.gz RFPDSXLLYNHVAM-INIZCTEOSA-N 2 1 300.450 2.446 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016860959 687720901 /nfs/dbraw/zinc/72/09/01/687720901.db2.gz LHKDQHMREYLXFX-IRXDYDNUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017694724 687939908 /nfs/dbraw/zinc/93/99/08/687939908.db2.gz ABWVNLFKVCNHDI-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017694724 687939913 /nfs/dbraw/zinc/93/99/13/687939913.db2.gz ABWVNLFKVCNHDI-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017694724 687939916 /nfs/dbraw/zinc/93/99/16/687939916.db2.gz ABWVNLFKVCNHDI-KSZLIROESA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018302409 688105432 /nfs/dbraw/zinc/10/54/32/688105432.db2.gz OWZTXMWPRVRGDT-LUKYLMHMSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279563 688318486 /nfs/dbraw/zinc/31/84/86/688318486.db2.gz IABONVHVJZIGSO-DOTOQJQBSA-N 2 1 305.466 2.160 20 30 DEEDMP N#CC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930564796 694190118 /nfs/dbraw/zinc/19/01/18/694190118.db2.gz NMVHQJQJURPQQT-GOSISDBHSA-N 2 1 313.445 2.249 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870123197 688489463 /nfs/dbraw/zinc/48/94/63/688489463.db2.gz NCJPMIIMFGDWPB-INIZCTEOSA-N 2 1 301.434 2.010 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766196 688543018 /nfs/dbraw/zinc/54/30/18/688543018.db2.gz OCBRZVGGOYVWOV-HNNXBMFYSA-N 2 1 319.449 2.359 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672929 688977863 /nfs/dbraw/zinc/97/78/63/688977863.db2.gz SIEIVBWEGJFAHX-KRWDZBQOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223627 689430170 /nfs/dbraw/zinc/43/01/70/689430170.db2.gz RUCWLFIEKKRMNO-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223627 689430171 /nfs/dbraw/zinc/43/01/71/689430171.db2.gz RUCWLFIEKKRMNO-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223627 689430172 /nfs/dbraw/zinc/43/01/72/689430172.db2.gz RUCWLFIEKKRMNO-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033350442 689472836 /nfs/dbraw/zinc/47/28/36/689472836.db2.gz BFLQBULGZYDZGR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033350442 689472838 /nfs/dbraw/zinc/47/28/38/689472838.db2.gz BFLQBULGZYDZGR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033350442 689472840 /nfs/dbraw/zinc/47/28/40/689472840.db2.gz BFLQBULGZYDZGR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034012402 689692900 /nfs/dbraw/zinc/69/29/00/689692900.db2.gz NJBGAFSRMAFYJX-GOSISDBHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034046081 689705053 /nfs/dbraw/zinc/70/50/53/689705053.db2.gz PPVRMEXAPZSRIR-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204702 689761357 /nfs/dbraw/zinc/76/13/57/689761357.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204702 689761361 /nfs/dbraw/zinc/76/13/61/689761361.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034204702 689761366 /nfs/dbraw/zinc/76/13/66/689761366.db2.gz PGFAGKGBDDVCGF-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211805 689764593 /nfs/dbraw/zinc/76/45/93/689764593.db2.gz OPVJFGCBMRJEDM-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251164 689781961 /nfs/dbraw/zinc/78/19/61/689781961.db2.gz WHCPRUCJIBEFQM-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034251164 689781966 /nfs/dbraw/zinc/78/19/66/689781966.db2.gz WHCPRUCJIBEFQM-CVEARBPZSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034269223 689787803 /nfs/dbraw/zinc/78/78/03/689787803.db2.gz CJTQBBMRDZOJEB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034269223 689787807 /nfs/dbraw/zinc/78/78/07/689787807.db2.gz CJTQBBMRDZOJEB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269223 689787809 /nfs/dbraw/zinc/78/78/09/689787809.db2.gz CJTQBBMRDZOJEB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269223 689787814 /nfs/dbraw/zinc/78/78/14/689787814.db2.gz CJTQBBMRDZOJEB-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034284955 689795229 /nfs/dbraw/zinc/79/52/29/689795229.db2.gz AIVQUAQJPQYAMB-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034284955 689795231 /nfs/dbraw/zinc/79/52/31/689795231.db2.gz AIVQUAQJPQYAMB-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034284955 689795233 /nfs/dbraw/zinc/79/52/33/689795233.db2.gz AIVQUAQJPQYAMB-QZTJIDSGSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439268 689851169 /nfs/dbraw/zinc/85/11/69/689851169.db2.gz SSRAQDNSZFCMRK-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001034482080 689867433 /nfs/dbraw/zinc/86/74/33/689867433.db2.gz YYBBLWLMQKAIDU-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034482080 689867436 /nfs/dbraw/zinc/86/74/36/689867436.db2.gz YYBBLWLMQKAIDU-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034482080 689867437 /nfs/dbraw/zinc/86/74/37/689867437.db2.gz YYBBLWLMQKAIDU-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034482080 689867440 /nfs/dbraw/zinc/86/74/40/689867440.db2.gz YYBBLWLMQKAIDU-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486561 689869709 /nfs/dbraw/zinc/86/97/09/689869709.db2.gz BGXRHKIQJSPJPC-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486561 689869711 /nfs/dbraw/zinc/86/97/11/689869711.db2.gz BGXRHKIQJSPJPC-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486561 689869715 /nfs/dbraw/zinc/86/97/15/689869715.db2.gz BGXRHKIQJSPJPC-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000876773950 689933558 /nfs/dbraw/zinc/93/35/58/689933558.db2.gz ZGECCRFGUAJQGU-JKSUJKDBSA-N 2 1 321.852 2.189 20 30 DEEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035196571 690056215 /nfs/dbraw/zinc/05/62/15/690056215.db2.gz PATZGZWRYJYZGZ-KRWDZBQOSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035722441 690160905 /nfs/dbraw/zinc/16/09/05/690160905.db2.gz UKLQECDQHUEYBF-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035797179 690178614 /nfs/dbraw/zinc/17/86/14/690178614.db2.gz FDINOBAQLYLSKC-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036204211 690290512 /nfs/dbraw/zinc/29/05/12/690290512.db2.gz FBTDBRAUTBQHCK-GJZGRUSLSA-N 2 1 304.438 2.019 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485746 /nfs/dbraw/zinc/48/57/46/690485746.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485750 /nfs/dbraw/zinc/48/57/50/690485750.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820579 690485752 /nfs/dbraw/zinc/48/57/52/690485752.db2.gz LHKYGCIBNGHRFR-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859457 690501433 /nfs/dbraw/zinc/50/14/33/690501433.db2.gz QBDKWHJPKYZSSJ-ROUUACIJSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903586 690522475 /nfs/dbraw/zinc/52/24/75/690522475.db2.gz CPZDMYSMQJROMA-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)C1CSC1 ZINC000878910049 690525368 /nfs/dbraw/zinc/52/53/68/690525368.db2.gz GXNWPXFJOYEIMC-UHFFFAOYSA-N 2 1 316.470 2.069 20 30 DEEDMP C#CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)C1CSC1 ZINC000878910049 690525371 /nfs/dbraw/zinc/52/53/71/690525371.db2.gz GXNWPXFJOYEIMC-UHFFFAOYSA-N 2 1 316.470 2.069 20 30 DEEDMP COCC[N@@H+](CC#Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000879125486 690573421 /nfs/dbraw/zinc/57/34/21/690573421.db2.gz CCIHXWZPPIMZED-UHFFFAOYSA-N 2 1 318.436 2.467 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038246093 690756095 /nfs/dbraw/zinc/75/60/95/690756095.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246093 690756098 /nfs/dbraw/zinc/75/60/98/690756098.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246093 690756100 /nfs/dbraw/zinc/75/61/00/690756100.db2.gz BOPGUIASWQRGFG-SJLPKXTDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040240150 691218462 /nfs/dbraw/zinc/21/84/62/691218462.db2.gz CHSYFRPJJNDATP-IEBWSBKVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242605 /nfs/dbraw/zinc/24/26/05/691242605.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242610 /nfs/dbraw/zinc/24/26/10/691242610.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395435 691242614 /nfs/dbraw/zinc/24/26/14/691242614.db2.gz PYINEJARSARNSX-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848969 691292818 /nfs/dbraw/zinc/29/28/18/691292818.db2.gz MZPGJRQGVUNUQM-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041588901 691398012 /nfs/dbraw/zinc/39/80/12/691398012.db2.gz ZVFYLEUYSBESJN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588901 691398014 /nfs/dbraw/zinc/39/80/14/691398014.db2.gz ZVFYLEUYSBESJN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588901 691398015 /nfs/dbraw/zinc/39/80/15/691398015.db2.gz ZVFYLEUYSBESJN-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042134273 691517610 /nfs/dbraw/zinc/51/76/10/691517610.db2.gz OEMTXMKCNQHYBA-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027090 691986515 /nfs/dbraw/zinc/98/65/15/691986515.db2.gz CBVLCTSWUAOURW-DLBZAZTESA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027090 691986518 /nfs/dbraw/zinc/98/65/18/691986518.db2.gz CBVLCTSWUAOURW-DLBZAZTESA-N 2 1 305.466 2.095 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027090 691986521 /nfs/dbraw/zinc/98/65/21/691986521.db2.gz CBVLCTSWUAOURW-DLBZAZTESA-N 2 1 305.466 2.095 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045535601 691994518 /nfs/dbraw/zinc/99/45/18/691994518.db2.gz ZRYBNIYURBWYBI-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001045942814 692058846 /nfs/dbraw/zinc/05/88/46/692058846.db2.gz AFLUHOYTQRHABV-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045949094 692060372 /nfs/dbraw/zinc/06/03/72/692060372.db2.gz XRFMPTZWGCPTHO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949094 692060374 /nfs/dbraw/zinc/06/03/74/692060374.db2.gz XRFMPTZWGCPTHO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045949094 692060377 /nfs/dbraw/zinc/06/03/77/692060377.db2.gz XRFMPTZWGCPTHO-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948153 692061049 /nfs/dbraw/zinc/06/10/49/692061049.db2.gz WNXIEECKCFQVDA-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)CCCCCC)C1CC[NH+](C)CC1 ZINC000886582128 692117610 /nfs/dbraw/zinc/11/76/10/692117610.db2.gz HDKDUFTZRKSXCG-UHFFFAOYSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046375559 692171191 /nfs/dbraw/zinc/17/11/91/692171191.db2.gz BKBSINUJKYDAFL-MAUKXSAKSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046375559 692171193 /nfs/dbraw/zinc/17/11/93/692171193.db2.gz BKBSINUJKYDAFL-MAUKXSAKSA-N 2 1 316.449 2.307 20 30 DEEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000887132721 692287696 /nfs/dbraw/zinc/28/76/96/692287696.db2.gz LRORCSDIJAAYKI-DNVCBOLYSA-N 2 1 322.412 2.197 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753747 /nfs/dbraw/zinc/75/37/47/692753747.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753749 /nfs/dbraw/zinc/75/37/49/692753749.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059907 692753751 /nfs/dbraw/zinc/75/37/51/692753751.db2.gz JQDHJSJQGRNOKZ-CALCHBBNSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049486543 692897760 /nfs/dbraw/zinc/89/77/60/692897760.db2.gz REGMSCFHYKQKQV-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486543 692897764 /nfs/dbraw/zinc/89/77/64/692897764.db2.gz REGMSCFHYKQKQV-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049486543 692897767 /nfs/dbraw/zinc/89/77/67/692897767.db2.gz REGMSCFHYKQKQV-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049518115 692909087 /nfs/dbraw/zinc/90/90/87/692909087.db2.gz QFDXBJNLPGHJQN-JKSUJKDBSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571572 692925268 /nfs/dbraw/zinc/92/52/68/692925268.db2.gz DVXXROQQUIWTCS-DLBZAZTESA-N 2 1 310.401 2.199 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049718395 692975241 /nfs/dbraw/zinc/97/52/41/692975241.db2.gz IYWOAWGXQPZTJU-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049718395 692975244 /nfs/dbraw/zinc/97/52/44/692975244.db2.gz IYWOAWGXQPZTJU-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049718395 692975246 /nfs/dbraw/zinc/97/52/46/692975246.db2.gz IYWOAWGXQPZTJU-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724862 692977267 /nfs/dbraw/zinc/97/72/67/692977267.db2.gz UGBMZRPPGWZTLW-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724862 692977269 /nfs/dbraw/zinc/97/72/69/692977269.db2.gz UGBMZRPPGWZTLW-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724862 692977270 /nfs/dbraw/zinc/97/72/70/692977270.db2.gz UGBMZRPPGWZTLW-GVDBMIGSSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050765473 693247184 /nfs/dbraw/zinc/24/71/84/693247184.db2.gz RNANWMYCQUEROX-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439529 693535324 /nfs/dbraw/zinc/53/53/24/693535324.db2.gz OYOHSABALCBQMA-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439529 693535326 /nfs/dbraw/zinc/53/53/26/693535326.db2.gz OYOHSABALCBQMA-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513727 693553707 /nfs/dbraw/zinc/55/37/07/693553707.db2.gz INKQYEHTXIGZNT-MRXNPFEDSA-N 2 1 324.428 2.250 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658387 693590246 /nfs/dbraw/zinc/59/02/46/693590246.db2.gz MFKXJJXBYKHIAW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658387 693590249 /nfs/dbraw/zinc/59/02/49/693590249.db2.gz MFKXJJXBYKHIAW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658387 693590252 /nfs/dbraw/zinc/59/02/52/693590252.db2.gz MFKXJJXBYKHIAW-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052713505 693602266 /nfs/dbraw/zinc/60/22/66/693602266.db2.gz YOJKSHDRJDBAFN-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052713505 693602269 /nfs/dbraw/zinc/60/22/69/693602269.db2.gz YOJKSHDRJDBAFN-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052713505 693602271 /nfs/dbraw/zinc/60/22/71/693602271.db2.gz YOJKSHDRJDBAFN-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001402217983 1162293437 /nfs/dbraw/zinc/29/34/37/1162293437.db2.gz CDSKCSICCQBBPR-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001402217983 1162293440 /nfs/dbraw/zinc/29/34/40/1162293440.db2.gz CDSKCSICCQBBPR-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001402217983 1162293444 /nfs/dbraw/zinc/29/34/44/1162293444.db2.gz CDSKCSICCQBBPR-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001402217983 1162293447 /nfs/dbraw/zinc/29/34/47/1162293447.db2.gz CDSKCSICCQBBPR-MRXNPFEDSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001402286657 1162315425 /nfs/dbraw/zinc/31/54/25/1162315425.db2.gz CWVWQOTYXAEVTK-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001332412460 1149857677 /nfs/dbraw/zinc/85/76/77/1149857677.db2.gz FAMOFYFJKMSXMO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001374330565 1157815105 /nfs/dbraw/zinc/81/51/05/1157815105.db2.gz QIKICOSGNRIITL-ZBFHGGJFSA-N 2 1 323.868 2.478 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001394414083 1158501650 /nfs/dbraw/zinc/50/16/50/1158501650.db2.gz WQDGROBSNNBYQO-HUUCEWRRSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001376914985 1159844846 /nfs/dbraw/zinc/84/48/46/1159844846.db2.gz VHTUOHNQSSMBLH-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)CN1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001397261284 1160090178 /nfs/dbraw/zinc/09/01/78/1160090178.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001397261284 1160090186 /nfs/dbraw/zinc/09/01/86/1160090186.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001397261284 1160090193 /nfs/dbraw/zinc/09/01/93/1160090193.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001397261284 1160090201 /nfs/dbraw/zinc/09/02/01/1160090201.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001397261284 1160090211 /nfs/dbraw/zinc/09/02/11/1160090211.db2.gz DPARBCAPIUEACT-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)C1 ZINC001377325419 1160218693 /nfs/dbraw/zinc/21/86/93/1160218693.db2.gz IOBNBDMEIBKWMC-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001377325419 1160218702 /nfs/dbraw/zinc/21/87/02/1160218702.db2.gz IOBNBDMEIBKWMC-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001377325419 1160218710 /nfs/dbraw/zinc/21/87/10/1160218710.db2.gz IOBNBDMEIBKWMC-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001377325419 1160218724 /nfs/dbraw/zinc/21/87/24/1160218724.db2.gz IOBNBDMEIBKWMC-AWEZNQCLSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001377414113 1160344654 /nfs/dbraw/zinc/34/46/54/1160344654.db2.gz GNLNJUVZONTYQM-HNNXBMFYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001377414113 1160344664 /nfs/dbraw/zinc/34/46/64/1160344664.db2.gz GNLNJUVZONTYQM-HNNXBMFYSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001406186456 1164498907 /nfs/dbraw/zinc/49/89/07/1164498907.db2.gz OKWVTQJVNULJKH-HUUCEWRRSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001406186456 1164498909 /nfs/dbraw/zinc/49/89/09/1164498909.db2.gz OKWVTQJVNULJKH-HUUCEWRRSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001406186456 1164498913 /nfs/dbraw/zinc/49/89/13/1164498913.db2.gz OKWVTQJVNULJKH-HUUCEWRRSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001418168190 1167455930 /nfs/dbraw/zinc/45/59/30/1167455930.db2.gz PKNYIPHNRLIOPP-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001422928779 1172948644 /nfs/dbraw/zinc/94/86/44/1172948644.db2.gz SXQFYNXZYHZOSA-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001424339978 1173765733 /nfs/dbraw/zinc/76/57/33/1173765733.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001424339978 1173765735 /nfs/dbraw/zinc/76/57/35/1173765735.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001424339978 1173765739 /nfs/dbraw/zinc/76/57/39/1173765739.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001424339978 1173765742 /nfs/dbraw/zinc/76/57/42/1173765742.db2.gz MDKLCAXREYARAF-OAHLLOKOSA-N 2 1 315.889 2.394 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001425505390 1174343055 /nfs/dbraw/zinc/34/30/55/1174343055.db2.gz IVKYQPJJSRPJPF-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001438805697 1180818451 /nfs/dbraw/zinc/81/84/51/1180818451.db2.gz QHMGXGWBSFFRDU-HUUCEWRRSA-N 2 1 315.889 2.342 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001439212936 1180942262 /nfs/dbraw/zinc/94/22/62/1180942262.db2.gz FDSBHLIHOGDFDO-ZFWWWQNUSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001441848631 1182213225 /nfs/dbraw/zinc/21/32/25/1182213225.db2.gz ZQGYAEXYHQYZKV-KBPBESRZSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001446017155 1184180781 /nfs/dbraw/zinc/18/07/81/1184180781.db2.gz SJUXDCKRXJKHJB-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001446704587 1184515814 /nfs/dbraw/zinc/51/58/14/1184515814.db2.gz ZCXJHMKONNTXGY-HOCLYGCPSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001332409691 1149857535 /nfs/dbraw/zinc/85/75/35/1149857535.db2.gz OFIYTOSHLWNVCW-DLBZAZTESA-N 2 1 319.424 2.195 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947663555 783201083 /nfs/dbraw/zinc/20/10/83/783201083.db2.gz XCSAGLHYNAQPKE-DZGCQCFKSA-N 2 1 305.422 2.110 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115571609 776551347 /nfs/dbraw/zinc/55/13/47/776551347.db2.gz GZJOKHBTURCYIP-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988617 777143063 /nfs/dbraw/zinc/14/30/63/777143063.db2.gz IRPXIPNDVDBDJF-MLHJIOFPSA-N 2 1 321.509 2.365 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529854 778608486 /nfs/dbraw/zinc/60/84/86/778608486.db2.gz RRMAILMFYZWJMJ-AOIWGVFYSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073462963 790670867 /nfs/dbraw/zinc/67/08/67/790670867.db2.gz ZRJZUIDMDCNBBO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462963 790670873 /nfs/dbraw/zinc/67/08/73/790670873.db2.gz ZRJZUIDMDCNBBO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462963 790670877 /nfs/dbraw/zinc/67/08/77/790670877.db2.gz ZRJZUIDMDCNBBO-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129584 779718473 /nfs/dbraw/zinc/71/84/73/779718473.db2.gz VGFNVIXLRJRSMN-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311835 779936068 /nfs/dbraw/zinc/93/60/68/779936068.db2.gz IEAMJRKVRIJRHJ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881177 780275328 /nfs/dbraw/zinc/27/53/28/780275328.db2.gz HHTYFBMPWYMQFN-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881177 780275335 /nfs/dbraw/zinc/27/53/35/780275335.db2.gz HHTYFBMPWYMQFN-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881177 780275346 /nfs/dbraw/zinc/27/53/46/780275346.db2.gz HHTYFBMPWYMQFN-RCCFBDPRSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H]1C ZINC001088657189 780695849 /nfs/dbraw/zinc/69/58/49/780695849.db2.gz VZVKEWSETRESLB-CVEARBPZSA-N 2 1 318.465 2.472 20 30 DEEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105576649 780773210 /nfs/dbraw/zinc/77/32/10/780773210.db2.gz KAAKYYRRQPLQAC-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089732141 783396105 /nfs/dbraw/zinc/39/61/05/783396105.db2.gz NLKIHLGDEAUZCW-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732141 783396118 /nfs/dbraw/zinc/39/61/18/783396118.db2.gz NLKIHLGDEAUZCW-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089732141 783396128 /nfs/dbraw/zinc/39/61/28/783396128.db2.gz NLKIHLGDEAUZCW-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001089734453 783400209 /nfs/dbraw/zinc/40/02/09/783400209.db2.gz QPUNSXOCNLLWHK-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734453 783400216 /nfs/dbraw/zinc/40/02/16/783400216.db2.gz QPUNSXOCNLLWHK-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734453 783400224 /nfs/dbraw/zinc/40/02/24/783400224.db2.gz QPUNSXOCNLLWHK-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734453 783400231 /nfs/dbraw/zinc/40/02/31/783400231.db2.gz QPUNSXOCNLLWHK-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085306883 783633541 /nfs/dbraw/zinc/63/35/41/783633541.db2.gz VMYKRWAJXROMLK-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC000968379545 784340491 /nfs/dbraw/zinc/34/04/91/784340491.db2.gz YSXUBEAQMMERIO-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379545 784340503 /nfs/dbraw/zinc/34/05/03/784340503.db2.gz YSXUBEAQMMERIO-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001114920987 784489204 /nfs/dbraw/zinc/48/92/04/784489204.db2.gz DYQSLFSGAYTINV-BDXSIMOUSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968849695 784616505 /nfs/dbraw/zinc/61/65/05/784616505.db2.gz DDGBFYWHFWMCBE-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968849695 784616513 /nfs/dbraw/zinc/61/65/13/784616513.db2.gz DDGBFYWHFWMCBE-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000968849695 784616519 /nfs/dbraw/zinc/61/65/19/784616519.db2.gz DDGBFYWHFWMCBE-ROUUACIJSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086455988 784748002 /nfs/dbraw/zinc/74/80/02/784748002.db2.gz MNKROHHBLPGNLN-BQFCYCMXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086497185 784794411 /nfs/dbraw/zinc/79/44/11/784794411.db2.gz AMAPFDCZYVCXHP-BRWVUGGUSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235085 791078559 /nfs/dbraw/zinc/07/85/59/791078559.db2.gz DMAAQHBBLKKYON-ZWKOTPCHSA-N 2 1 321.509 2.252 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235082 791078742 /nfs/dbraw/zinc/07/87/42/791078742.db2.gz DMAAQHBBLKKYON-MSOLQXFVSA-N 2 1 321.509 2.252 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256003 785118161 /nfs/dbraw/zinc/11/81/61/785118161.db2.gz XHDGGCBEEDHOCR-ZWKOTPCHSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC)CC1)C2 ZINC001169256003 785118165 /nfs/dbraw/zinc/11/81/65/785118165.db2.gz XHDGGCBEEDHOCR-ZWKOTPCHSA-N 2 1 308.466 2.297 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704286 785495034 /nfs/dbraw/zinc/49/50/34/785495034.db2.gz HAEVOYFIPZMRBQ-JZXOWHBKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108831697 785559286 /nfs/dbraw/zinc/55/92/86/785559286.db2.gz IZWDBBOEZPUMIR-ZNMIVQPWSA-N 2 1 313.873 2.048 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526149 785916169 /nfs/dbraw/zinc/91/61/69/785916169.db2.gz QYCIUACIXNIKOW-ORQFMDKSSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526149 785916192 /nfs/dbraw/zinc/91/61/92/785916192.db2.gz QYCIUACIXNIKOW-ORQFMDKSSA-N 2 1 316.449 2.268 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014731179 786729417 /nfs/dbraw/zinc/72/94/17/786729417.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014731179 786729426 /nfs/dbraw/zinc/72/94/26/786729426.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014731179 786729432 /nfs/dbraw/zinc/72/94/32/786729432.db2.gz ZNVYYYWKUZJBFO-RDJZCZTQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001096011610 787449926 /nfs/dbraw/zinc/44/99/26/787449926.db2.gz GOIHRPKPAVQGBS-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001096011610 787449929 /nfs/dbraw/zinc/44/99/29/787449929.db2.gz GOIHRPKPAVQGBS-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001096011610 787449931 /nfs/dbraw/zinc/44/99/31/787449931.db2.gz GOIHRPKPAVQGBS-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001096015633 787450319 /nfs/dbraw/zinc/45/03/19/787450319.db2.gz MKMQOUZDWPUXGH-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001096015633 787450328 /nfs/dbraw/zinc/45/03/28/787450328.db2.gz MKMQOUZDWPUXGH-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001096015633 787450334 /nfs/dbraw/zinc/45/03/34/787450334.db2.gz MKMQOUZDWPUXGH-YVSFHVDLSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183325 787961120 /nfs/dbraw/zinc/96/11/20/787961120.db2.gz MYBBPJOWVQFXNS-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183325 787961125 /nfs/dbraw/zinc/96/11/25/787961125.db2.gz MYBBPJOWVQFXNS-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183323 787961441 /nfs/dbraw/zinc/96/14/41/787961441.db2.gz MYBBPJOWVQFXNS-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183323 787961444 /nfs/dbraw/zinc/96/14/44/787961444.db2.gz MYBBPJOWVQFXNS-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132366166 788042601 /nfs/dbraw/zinc/04/26/01/788042601.db2.gz XHYBLUDEIRSWDH-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366166 788042609 /nfs/dbraw/zinc/04/26/09/788042609.db2.gz XHYBLUDEIRSWDH-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132366166 788042616 /nfs/dbraw/zinc/04/26/16/788042616.db2.gz XHYBLUDEIRSWDH-DLBZAZTESA-N 2 1 307.482 2.101 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405392 788096934 /nfs/dbraw/zinc/09/69/34/788096934.db2.gz MXTVNDKVLFBZED-WCXIOVBPSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405392 788096943 /nfs/dbraw/zinc/09/69/43/788096943.db2.gz MXTVNDKVLFBZED-WCXIOVBPSA-N 2 1 305.466 2.014 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097445020 788099776 /nfs/dbraw/zinc/09/97/76/788099776.db2.gz TYXQEUTZQRVEGO-OIISXLGYSA-N 2 1 310.401 2.246 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888312 788219147 /nfs/dbraw/zinc/21/91/47/788219147.db2.gz MBXVWFVWZVYBMY-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937040 788231225 /nfs/dbraw/zinc/23/12/25/788231225.db2.gz FVKZDHJTQYXTGV-JKSUJKDBSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937249 788231270 /nfs/dbraw/zinc/23/12/70/788231270.db2.gz IZMFQMRKKBNELJ-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133123047 788288807 /nfs/dbraw/zinc/28/88/07/788288807.db2.gz XYZUPKQGHLBJRA-CVEARBPZSA-N 2 1 309.498 2.225 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133345928 788375252 /nfs/dbraw/zinc/37/52/52/788375252.db2.gz IHABEUKTCLYWJQ-IRXDYDNUSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805269 789095251 /nfs/dbraw/zinc/09/52/51/789095251.db2.gz QYYBTMGSCKRFLK-KGLIPLIRSA-N 2 1 322.453 2.189 20 30 DEEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077227 789190397 /nfs/dbraw/zinc/19/03/97/789190397.db2.gz MOBHMHMNEUYDNH-HOTGVXAUSA-N 2 1 307.482 2.147 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690901 789450668 /nfs/dbraw/zinc/45/06/68/789450668.db2.gz LOWTZKXIAOFAPI-SJORKVTESA-N 2 1 309.498 2.395 20 30 DEEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509032 789748752 /nfs/dbraw/zinc/74/87/52/789748752.db2.gz WPIFMXUAZXSKHW-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509032 789748753 /nfs/dbraw/zinc/74/87/53/789748753.db2.gz WPIFMXUAZXSKHW-IAGOWNOFSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000165 790006707 /nfs/dbraw/zinc/00/67/07/790006707.db2.gz VGSBJQRWRXAKFT-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001072000165 790006712 /nfs/dbraw/zinc/00/67/12/790006712.db2.gz VGSBJQRWRXAKFT-HUUCEWRRSA-N 2 1 316.449 2.306 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706221 791344762 /nfs/dbraw/zinc/34/47/62/791344762.db2.gz BNXNABLZNJIVMJ-DLBZAZTESA-N 2 1 315.461 2.015 20 30 DEEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706221 791344770 /nfs/dbraw/zinc/34/47/70/791344770.db2.gz BNXNABLZNJIVMJ-DLBZAZTESA-N 2 1 315.461 2.015 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307926 791558330 /nfs/dbraw/zinc/55/83/30/791558330.db2.gz NQPOKSKMNFUSFJ-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC1CC1 ZINC001171307926 791558337 /nfs/dbraw/zinc/55/83/37/791558337.db2.gz NQPOKSKMNFUSFJ-AEFFLSMTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147809836 791620203 /nfs/dbraw/zinc/62/02/03/791620203.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147809836 791620207 /nfs/dbraw/zinc/62/02/07/791620207.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147809836 791620212 /nfs/dbraw/zinc/62/02/12/791620212.db2.gz IXGQUWAIXPOIJU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899483 791650606 /nfs/dbraw/zinc/65/06/06/791650606.db2.gz YMPFXWCHLATERZ-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899483 791650611 /nfs/dbraw/zinc/65/06/11/791650611.db2.gz YMPFXWCHLATERZ-HNNXBMFYSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754101 791814492 /nfs/dbraw/zinc/81/44/92/791814492.db2.gz DCMXJSYYRXSWRC-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754101 791814499 /nfs/dbraw/zinc/81/44/99/791814499.db2.gz DCMXJSYYRXSWRC-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754101 791814501 /nfs/dbraw/zinc/81/45/01/791814501.db2.gz DCMXJSYYRXSWRC-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098845133 791961767 /nfs/dbraw/zinc/96/17/67/791961767.db2.gz OPCRQKVJYMKVIN-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098845133 791961778 /nfs/dbraw/zinc/96/17/78/791961778.db2.gz OPCRQKVJYMKVIN-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098845133 791961784 /nfs/dbraw/zinc/96/17/84/791961784.db2.gz OPCRQKVJYMKVIN-NTDBWNAOSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303149 791973611 /nfs/dbraw/zinc/97/36/11/791973611.db2.gz VEKDCVCQHHJWMT-AOIWGVFYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100680917 792785778 /nfs/dbraw/zinc/78/57/78/792785778.db2.gz LTEFLFSRYHRFBW-UHFFFAOYSA-N 2 1 315.889 2.201 20 30 DEEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980798 792953990 /nfs/dbraw/zinc/95/39/90/792953990.db2.gz GOMPYLWHPSEBLW-AQFXKWCLSA-N 2 1 309.498 2.393 20 30 DEEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133800 /nfs/dbraw/zinc/13/38/00/793133800.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133807 /nfs/dbraw/zinc/13/38/07/793133807.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101363938 793133813 /nfs/dbraw/zinc/13/38/13/793133813.db2.gz GZQOJEAZBFIAHP-LMMKCTJWSA-N 2 1 319.493 2.075 20 30 DEEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001101591242 793253609 /nfs/dbraw/zinc/25/36/09/793253609.db2.gz NUVVGTBENOLRKT-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059111 793491338 /nfs/dbraw/zinc/49/13/38/793491338.db2.gz BIFNWJFJRKBJIN-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059111 793491341 /nfs/dbraw/zinc/49/13/41/793491341.db2.gz BIFNWJFJRKBJIN-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059111 793491345 /nfs/dbraw/zinc/49/13/45/793491345.db2.gz BIFNWJFJRKBJIN-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189122 793525239 /nfs/dbraw/zinc/52/52/39/793525239.db2.gz XFXKOVFOWHOMLV-NXHRZFHOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189999 793525249 /nfs/dbraw/zinc/52/52/49/793525249.db2.gz MPNMVIRHCXMNKG-KBAYOESNSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102782720 793754251 /nfs/dbraw/zinc/75/42/51/793754251.db2.gz PDCUXZNHQHDUNX-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102782720 793754257 /nfs/dbraw/zinc/75/42/57/793754257.db2.gz PDCUXZNHQHDUNX-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102782720 793754266 /nfs/dbraw/zinc/75/42/66/793754266.db2.gz PDCUXZNHQHDUNX-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083915 793933907 /nfs/dbraw/zinc/93/39/07/793933907.db2.gz OYNLOESGFFEAMQ-KURKYZTESA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083915 793933912 /nfs/dbraw/zinc/93/39/12/793933912.db2.gz OYNLOESGFFEAMQ-KURKYZTESA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083915 793933921 /nfs/dbraw/zinc/93/39/21/793933921.db2.gz OYNLOESGFFEAMQ-KURKYZTESA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156816 793960882 /nfs/dbraw/zinc/96/08/82/793960882.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156816 793960883 /nfs/dbraw/zinc/96/08/83/793960883.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156816 793960887 /nfs/dbraw/zinc/96/08/87/793960887.db2.gz XWNJDTUVZDTVEK-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174882790 794082307 /nfs/dbraw/zinc/08/23/07/794082307.db2.gz XHTLQFHYWDXFAB-IRXDYDNUSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295130 794169190 /nfs/dbraw/zinc/16/91/90/794169190.db2.gz BLNDGYCZZZJWIB-MRXNPFEDSA-N 2 1 309.498 2.252 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175262143 794171835 /nfs/dbraw/zinc/17/18/35/794171835.db2.gz BYZZJUJODDGFEB-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401463 794623356 /nfs/dbraw/zinc/62/33/56/794623356.db2.gz FZZPGOBCWPJZAL-LPHOPBHVSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563634 794822473 /nfs/dbraw/zinc/82/24/73/794822473.db2.gz YTJYAVKERMOACN-KRWDZBQOSA-N 2 1 319.493 2.293 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115577763 794827203 /nfs/dbraw/zinc/82/72/03/794827203.db2.gz IFKMUZHSUSYABZ-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCCCC1 ZINC001115577763 794827212 /nfs/dbraw/zinc/82/72/12/794827212.db2.gz IFKMUZHSUSYABZ-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCCCC1 ZINC001115578066 794828409 /nfs/dbraw/zinc/82/84/09/794828409.db2.gz XPNUYDARIIVCSZ-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCCCC1 ZINC001115578066 794828415 /nfs/dbraw/zinc/82/84/15/794828415.db2.gz XPNUYDARIIVCSZ-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484527 794935928 /nfs/dbraw/zinc/93/59/28/794935928.db2.gz UCNQWHUSXGVUHC-IRXDYDNUSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714031 795162909 /nfs/dbraw/zinc/16/29/09/795162909.db2.gz CABKWXXTVLWEGL-UHFFFAOYSA-N 2 1 318.465 2.296 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746491 795171008 /nfs/dbraw/zinc/17/10/08/795171008.db2.gz VOZNAGLMORRIQC-KRWDZBQOSA-N 2 1 307.482 2.149 20 30 DEEDMP C#CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCCCCC ZINC001179838788 795185284 /nfs/dbraw/zinc/18/52/84/795185284.db2.gz PWLQENKWBBLXRN-UHFFFAOYSA-N 2 1 309.498 2.398 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001120402878 795453528 /nfs/dbraw/zinc/45/35/28/795453528.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402878 795453534 /nfs/dbraw/zinc/45/35/34/795453534.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001120402878 795453539 /nfs/dbraw/zinc/45/35/39/795453539.db2.gz SUIZCZYWNGWHJA-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120458662 795464242 /nfs/dbraw/zinc/46/42/42/795464242.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458662 795464249 /nfs/dbraw/zinc/46/42/49/795464249.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120458662 795464258 /nfs/dbraw/zinc/46/42/58/795464258.db2.gz IEDCFQHHCLUECR-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194000 795601508 /nfs/dbraw/zinc/60/15/08/795601508.db2.gz MKLRTTZLMHHGMS-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121773107 795685886 /nfs/dbraw/zinc/68/58/86/795685886.db2.gz OBSAGWVXGZIZLJ-VFIJXHPYSA-N 2 1 319.493 2.167 20 30 DEEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121790856 795687558 /nfs/dbraw/zinc/68/75/58/795687558.db2.gz DXAFMTJPWRPAFA-UHFFFAOYSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629317 795714518 /nfs/dbraw/zinc/71/45/18/795714518.db2.gz COBLKOMOOXJDEV-YQVWRLOYSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122243045 795739122 /nfs/dbraw/zinc/73/91/22/795739122.db2.gz YIQVWICVFIPLNP-RFSHTEQGSA-N 2 1 319.493 2.454 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCCC)C1 ZINC001183361288 795854573 /nfs/dbraw/zinc/85/45/73/795854573.db2.gz OLQAQEOBRMLFSR-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCCC)C1 ZINC001183361288 795854579 /nfs/dbraw/zinc/85/45/79/795854579.db2.gz OLQAQEOBRMLFSR-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184714334 796109034 /nfs/dbraw/zinc/10/90/34/796109034.db2.gz XMDBFRQUBRIJOI-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185170485 796202446 /nfs/dbraw/zinc/20/24/46/796202446.db2.gz PWIMLBFHQFSJDS-HOTGVXAUSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307396 796232992 /nfs/dbraw/zinc/23/29/92/796232992.db2.gz POVKHEBTJMJTLR-WBVHZDCISA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185682985 796303571 /nfs/dbraw/zinc/30/35/71/796303571.db2.gz VLGLYTLSFICNJZ-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187090576 796487262 /nfs/dbraw/zinc/48/72/62/796487262.db2.gz CLQBFJPOIOZIOC-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246998 796967163 /nfs/dbraw/zinc/96/71/63/796967163.db2.gz JOSMXWXSFHDEIE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246998 796967179 /nfs/dbraw/zinc/96/71/79/796967179.db2.gz JOSMXWXSFHDEIE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246998 796967184 /nfs/dbraw/zinc/96/71/84/796967184.db2.gz JOSMXWXSFHDEIE-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190484728 797009093 /nfs/dbraw/zinc/00/90/93/797009093.db2.gz WYUWMNQSRGGURU-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484728 797009099 /nfs/dbraw/zinc/00/90/99/797009099.db2.gz WYUWMNQSRGGURU-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484728 797009110 /nfs/dbraw/zinc/00/91/10/797009110.db2.gz WYUWMNQSRGGURU-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742178 797067112 /nfs/dbraw/zinc/06/71/12/797067112.db2.gz BGWHPDFTJSOISZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190742178 797067117 /nfs/dbraw/zinc/06/71/17/797067117.db2.gz BGWHPDFTJSOISZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190742178 797067123 /nfs/dbraw/zinc/06/71/23/797067123.db2.gz BGWHPDFTJSOISZ-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190742176 797067168 /nfs/dbraw/zinc/06/71/68/797067168.db2.gz BGWHPDFTJSOISZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190742176 797067172 /nfs/dbraw/zinc/06/71/72/797067172.db2.gz BGWHPDFTJSOISZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190742176 797067180 /nfs/dbraw/zinc/06/71/80/797067180.db2.gz BGWHPDFTJSOISZ-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507266 797222217 /nfs/dbraw/zinc/22/22/17/797222217.db2.gz JTWSIELCYMLMKP-QZTJIDSGSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551360 797225170 /nfs/dbraw/zinc/22/51/70/797225170.db2.gz KJOOQKZPGBDQHW-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603486 797420249 /nfs/dbraw/zinc/42/02/49/797420249.db2.gz BZWKPSKYJLZNPT-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192603486 797420253 /nfs/dbraw/zinc/42/02/53/797420253.db2.gz BZWKPSKYJLZNPT-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026693 797665430 /nfs/dbraw/zinc/66/54/30/797665430.db2.gz ITWIXWMNZAHZQR-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026693 797665435 /nfs/dbraw/zinc/66/54/35/797665435.db2.gz ITWIXWMNZAHZQR-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001194275731 797697028 /nfs/dbraw/zinc/69/70/28/797697028.db2.gz XOENUWHJHFOYQJ-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163014 798014013 /nfs/dbraw/zinc/01/40/13/798014013.db2.gz FBVLDSLWBIMQGN-DOTOQJQBSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196201284 798019570 /nfs/dbraw/zinc/01/95/70/798019570.db2.gz XQWPHPMPSRTXPR-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201284 798019576 /nfs/dbraw/zinc/01/95/76/798019576.db2.gz XQWPHPMPSRTXPR-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196201284 798019581 /nfs/dbraw/zinc/01/95/81/798019581.db2.gz XQWPHPMPSRTXPR-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196641413 798081712 /nfs/dbraw/zinc/08/17/12/798081712.db2.gz FSQZTFRGUQXOKU-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149576 798154711 /nfs/dbraw/zinc/15/47/11/798154711.db2.gz BLSKISAWGXKURQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001197149576 798154713 /nfs/dbraw/zinc/15/47/13/798154713.db2.gz BLSKISAWGXKURQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001197149576 798154718 /nfs/dbraw/zinc/15/47/18/798154718.db2.gz BLSKISAWGXKURQ-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396748 798181488 /nfs/dbraw/zinc/18/14/88/798181488.db2.gz MODNROKZXWBHPD-HZPDHXFCSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001197396748 798181490 /nfs/dbraw/zinc/18/14/90/798181490.db2.gz MODNROKZXWBHPD-HZPDHXFCSA-N 2 1 318.465 2.477 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197841897 798243396 /nfs/dbraw/zinc/24/33/96/798243396.db2.gz AQDKNVQLGWTASK-UHFFFAOYSA-N 2 1 316.449 2.262 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197841897 798243398 /nfs/dbraw/zinc/24/33/98/798243398.db2.gz AQDKNVQLGWTASK-UHFFFAOYSA-N 2 1 316.449 2.262 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197817902 798247861 /nfs/dbraw/zinc/24/78/61/798247861.db2.gz SXRGUJSCGSEPQR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817902 798247863 /nfs/dbraw/zinc/24/78/63/798247863.db2.gz SXRGUJSCGSEPQR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817902 798247866 /nfs/dbraw/zinc/24/78/66/798247866.db2.gz SXRGUJSCGSEPQR-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198129626 798281754 /nfs/dbraw/zinc/28/17/54/798281754.db2.gz SPNBZPBDVLMGJF-UHFFFAOYSA-N 2 1 307.482 2.363 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951358 798311682 /nfs/dbraw/zinc/31/16/82/798311682.db2.gz WJPWVGVSQXBSQI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951358 798311671 /nfs/dbraw/zinc/31/16/71/798311671.db2.gz WJPWVGVSQXBSQI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951358 798311676 /nfs/dbraw/zinc/31/16/76/798311676.db2.gz WJPWVGVSQXBSQI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089863 798340644 /nfs/dbraw/zinc/34/06/44/798340644.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158089863 798340650 /nfs/dbraw/zinc/34/06/50/798340650.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158089863 798340657 /nfs/dbraw/zinc/34/06/57/798340657.db2.gz FWYCPHVKFXAFEY-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158781061 798468470 /nfs/dbraw/zinc/46/84/70/798468470.db2.gz KHRFBZHRSOQTTB-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781061 798468474 /nfs/dbraw/zinc/46/84/74/798468474.db2.gz KHRFBZHRSOQTTB-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781061 798468479 /nfs/dbraw/zinc/46/84/79/798468479.db2.gz KHRFBZHRSOQTTB-QGZVFWFLSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160119666 798649783 /nfs/dbraw/zinc/64/97/83/798649783.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160119666 798649787 /nfs/dbraw/zinc/64/97/87/798649787.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001160119666 798649791 /nfs/dbraw/zinc/64/97/91/798649791.db2.gz FVRCJFBTNMYMRV-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479012 798694200 /nfs/dbraw/zinc/69/42/00/798694200.db2.gz IXWBVGAZIKUCKQ-QGZVFWFLSA-N 2 1 307.482 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001201067091 798707543 /nfs/dbraw/zinc/70/75/43/798707543.db2.gz WVVCKFAOLWXLCN-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053202 798711006 /nfs/dbraw/zinc/71/10/06/798711006.db2.gz MRIBDWSPITVCEK-MRXNPFEDSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001161323132 798827857 /nfs/dbraw/zinc/82/78/57/798827857.db2.gz CZOAFKHCVCVHJM-UKRRQHHQSA-N 2 1 318.465 2.274 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161878821 798956757 /nfs/dbraw/zinc/95/67/57/798956757.db2.gz BTZCVEJSINLRPR-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110682804 798964513 /nfs/dbraw/zinc/96/45/13/798964513.db2.gz CYFNPQSRXFRNRI-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110682804 798964521 /nfs/dbraw/zinc/96/45/21/798964521.db2.gz CYFNPQSRXFRNRI-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110682804 798964528 /nfs/dbraw/zinc/96/45/28/798964528.db2.gz CYFNPQSRXFRNRI-VQHPVUNQSA-N 2 1 305.466 2.158 20 30 DEEDMP C[NH+](C)C1(CNc2cccc(CC#N)c2F)CC[NH+](C)CC1 ZINC001164210807 799538997 /nfs/dbraw/zinc/53/89/97/799538997.db2.gz IUGPHHDQQSZNNR-UHFFFAOYSA-N 2 1 304.413 2.330 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582301 799627268 /nfs/dbraw/zinc/62/72/68/799627268.db2.gz GTMZQWLEXOWHSX-JKSUJKDBSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCC)CC1 ZINC001165545713 799744450 /nfs/dbraw/zinc/74/44/50/799744450.db2.gz NJUMRDYBKVBKLY-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCC)CC1 ZINC001165545713 799744453 /nfs/dbraw/zinc/74/44/53/799744453.db2.gz NJUMRDYBKVBKLY-KRWDZBQOSA-N 2 1 319.493 2.150 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203576881 800084163 /nfs/dbraw/zinc/08/41/63/800084163.db2.gz KOXORTZDYGABDP-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204793841 800257973 /nfs/dbraw/zinc/25/79/73/800257973.db2.gz PHDFAJYUDGWVMW-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006771 800457743 /nfs/dbraw/zinc/45/77/43/800457743.db2.gz QQOKETIVMKFADN-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549244 800552211 /nfs/dbraw/zinc/55/22/11/800552211.db2.gz XCADTMHFCZWPRF-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206547532 800552724 /nfs/dbraw/zinc/55/27/24/800552724.db2.gz HIQGHBLNDNKYRJ-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603525 800562601 /nfs/dbraw/zinc/56/26/01/800562601.db2.gz OROQPDZYLRGOBH-UHFFFAOYSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872466 800611373 /nfs/dbraw/zinc/61/13/73/800611373.db2.gz FZJQNEBGYYFMLJ-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953478 800640030 /nfs/dbraw/zinc/64/00/30/800640030.db2.gz MNBYYFGSFUCPHM-SFHVURJKSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001207435036 800750901 /nfs/dbraw/zinc/75/09/01/800750901.db2.gz DRWNPNFITZXXAR-ZWKOTPCHSA-N 2 1 308.466 2.060 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279259 800944807 /nfs/dbraw/zinc/94/48/07/800944807.db2.gz LTCTYHPVRSIVEG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208361537 800966990 /nfs/dbraw/zinc/96/69/90/800966990.db2.gz FUADRNQGGLNJHN-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359953 801393161 /nfs/dbraw/zinc/39/31/61/801393161.db2.gz MHWBRMOMPRYBMB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256385 801537254 /nfs/dbraw/zinc/53/72/54/801537254.db2.gz FDWKTPCVNBZRDD-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666025 801745701 /nfs/dbraw/zinc/74/57/01/801745701.db2.gz QVESREPFTAFGJT-YYIAUSFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375401 801782373 /nfs/dbraw/zinc/78/23/73/801782373.db2.gz IJDZEHIENPFWCJ-JKSUJKDBSA-N 2 1 323.481 2.319 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400375401 801782380 /nfs/dbraw/zinc/78/23/80/801782380.db2.gz IJDZEHIENPFWCJ-JKSUJKDBSA-N 2 1 323.481 2.319 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234644363 802439957 /nfs/dbraw/zinc/43/99/57/802439957.db2.gz TXYDXQDAODNQQZ-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001222613290 802717120 /nfs/dbraw/zinc/71/71/20/802717120.db2.gz VLIRGYLMDVNDTK-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCC)CC1 ZINC001223495828 802796279 /nfs/dbraw/zinc/79/62/79/802796279.db2.gz YCISWTHJMFDUOH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCC)CC1 ZINC001223495828 802796281 /nfs/dbraw/zinc/79/62/81/802796281.db2.gz YCISWTHJMFDUOH-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001223668837 802807289 /nfs/dbraw/zinc/80/72/89/802807289.db2.gz LVMFESTUDDKWSU-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001223668837 802807294 /nfs/dbraw/zinc/80/72/94/802807294.db2.gz LVMFESTUDDKWSU-UHFFFAOYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224558690 802881755 /nfs/dbraw/zinc/88/17/55/802881755.db2.gz IUXDXXBREREIRG-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225542723 802979545 /nfs/dbraw/zinc/97/95/45/802979545.db2.gz NNBFQZISSJZPKE-IYBDPMFKSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001328588971 1148813823 /nfs/dbraw/zinc/81/38/23/1148813823.db2.gz RLQXWGSIOQHDRM-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001461729514 1058702595 /nfs/dbraw/zinc/70/25/95/1058702595.db2.gz MRAFQRUOLRBUSS-IBGZPJMESA-N 2 1 318.436 2.197 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001500466007 1058807243 /nfs/dbraw/zinc/80/72/43/1058807243.db2.gz PDABGOCZZRAZCZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001501569392 1059552890 /nfs/dbraw/zinc/55/28/90/1059552890.db2.gz XPYGTPZLDLYWHH-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001502401694 1060109787 /nfs/dbraw/zinc/10/97/87/1060109787.db2.gz QOBPDJFSAVCVCH-GOSISDBHSA-N 2 1 321.509 2.301 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502933159 1060398100 /nfs/dbraw/zinc/39/81/00/1060398100.db2.gz JMTHZFIGANMTCT-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001502933159 1060398116 /nfs/dbraw/zinc/39/81/16/1060398116.db2.gz JMTHZFIGANMTCT-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001502933159 1060398133 /nfs/dbraw/zinc/39/81/33/1060398133.db2.gz JMTHZFIGANMTCT-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001502933159 1060398152 /nfs/dbraw/zinc/39/81/52/1060398152.db2.gz JMTHZFIGANMTCT-ZIAGYGMSSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479828293 1061851631 /nfs/dbraw/zinc/85/16/31/1061851631.db2.gz YFFDAZKDJUKSIU-JKSUJKDBSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001479905782 1062025823 /nfs/dbraw/zinc/02/58/23/1062025823.db2.gz BOPPQXFGOPPDQA-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001479905782 1062025843 /nfs/dbraw/zinc/02/58/43/1062025843.db2.gz BOPPQXFGOPPDQA-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479905782 1062025866 /nfs/dbraw/zinc/02/58/66/1062025866.db2.gz BOPPQXFGOPPDQA-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479905782 1062025887 /nfs/dbraw/zinc/02/58/87/1062025887.db2.gz BOPPQXFGOPPDQA-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001506491946 1062039481 /nfs/dbraw/zinc/03/94/81/1062039481.db2.gz YQFDEDJZVKGILK-AEFFLSMTSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001480407828 1062819044 /nfs/dbraw/zinc/81/90/44/1062819044.db2.gz BLDGCRMTGMQAHM-UHFFFAOYSA-N 2 1 316.449 2.047 20 30 DEEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001507163268 1062942550 /nfs/dbraw/zinc/94/25/50/1062942550.db2.gz UBQOROSCJPOZMD-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480833875 1063424697 /nfs/dbraw/zinc/42/46/97/1063424697.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480833875 1063424703 /nfs/dbraw/zinc/42/47/03/1063424703.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001480833875 1063424713 /nfs/dbraw/zinc/42/47/13/1063424713.db2.gz ZFXLMIHFLWAQFS-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827254 1063979095 /nfs/dbraw/zinc/97/90/95/1063979095.db2.gz LZRLMLQCSUBQDR-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001567445476 1064202170 /nfs/dbraw/zinc/20/21/70/1064202170.db2.gz ZZQPUMIOZISHRA-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001567445476 1064202179 /nfs/dbraw/zinc/20/21/79/1064202179.db2.gz ZZQPUMIOZISHRA-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001567445476 1064202189 /nfs/dbraw/zinc/20/21/89/1064202189.db2.gz ZZQPUMIOZISHRA-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001567455969 1064207075 /nfs/dbraw/zinc/20/70/75/1064207075.db2.gz NXYOUGACTBOANI-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001567455969 1064207073 /nfs/dbraw/zinc/20/70/73/1064207073.db2.gz NXYOUGACTBOANI-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001567749862 1064401469 /nfs/dbraw/zinc/40/14/69/1064401469.db2.gz SFFWWFRJFQYKED-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001567749862 1064401475 /nfs/dbraw/zinc/40/14/75/1064401475.db2.gz SFFWWFRJFQYKED-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001567749862 1064401484 /nfs/dbraw/zinc/40/14/84/1064401484.db2.gz SFFWWFRJFQYKED-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567840802 1064455467 /nfs/dbraw/zinc/45/54/67/1064455467.db2.gz GCACWAMJLIPPKC-OAHLLOKOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914759 1064512172 /nfs/dbraw/zinc/51/21/72/1064512172.db2.gz GSCQAAWNTSNDPM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914759 1064512191 /nfs/dbraw/zinc/51/21/91/1064512191.db2.gz GSCQAAWNTSNDPM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914759 1064512206 /nfs/dbraw/zinc/51/22/06/1064512206.db2.gz GSCQAAWNTSNDPM-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001495051039 1064665645 /nfs/dbraw/zinc/66/56/45/1064665645.db2.gz PGTMYBIUXVCGSQ-JKSUJKDBSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001495277177 1064800865 /nfs/dbraw/zinc/80/08/65/1064800865.db2.gz NYBIXHWUXIUOAU-SFHVURJKSA-N 2 1 309.498 2.415 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001568424570 1064861455 /nfs/dbraw/zinc/86/14/55/1064861455.db2.gz SOJUAPHWOQAWBL-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001496311547 1065400608 /nfs/dbraw/zinc/40/06/08/1065400608.db2.gz JSBNYNQETOWJKN-ZWKOTPCHSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001570039177 1065898643 /nfs/dbraw/zinc/89/86/43/1065898643.db2.gz HPWGQSMPFTUUPK-BZSNNMDCSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001498284003 1066614323 /nfs/dbraw/zinc/61/43/23/1066614323.db2.gz RMNYWHICCCYCFM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001498284003 1066614327 /nfs/dbraw/zinc/61/43/27/1066614327.db2.gz RMNYWHICCCYCFM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001498284003 1066614331 /nfs/dbraw/zinc/61/43/31/1066614331.db2.gz RMNYWHICCCYCFM-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498409606 1066687834 /nfs/dbraw/zinc/68/78/34/1066687834.db2.gz SCFDUEYNXVVMSJ-HNNXBMFYSA-N 2 1 303.450 2.374 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC ZINC001498897382 1066945475 /nfs/dbraw/zinc/94/54/75/1066945475.db2.gz CXNDJTYSVIYFOM-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001499614819 1067280498 /nfs/dbraw/zinc/28/04/98/1067280498.db2.gz TXJKBKPBRIUKBT-SFHVURJKSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267045152 1078524778 /nfs/dbraw/zinc/52/47/78/1078524778.db2.gz NNBOKRXIMQNDRE-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001483438075 1078531522 /nfs/dbraw/zinc/53/15/22/1078531522.db2.gz JWFDNBMZUMCVDM-IRXDYDNUSA-N 2 1 318.465 2.422 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001570534994 1067991758 /nfs/dbraw/zinc/99/17/58/1067991758.db2.gz UQDJFDRGOSGCRC-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001570534994 1067991764 /nfs/dbraw/zinc/99/17/64/1067991764.db2.gz UQDJFDRGOSGCRC-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001570534994 1067991772 /nfs/dbraw/zinc/99/17/72/1067991772.db2.gz UQDJFDRGOSGCRC-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001571117992 1068183747 /nfs/dbraw/zinc/18/37/47/1068183747.db2.gz NPYDJSPXQALHFV-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001571335680 1068230577 /nfs/dbraw/zinc/23/05/77/1068230577.db2.gz RZZFAXJMTWLAQD-QGZVFWFLSA-N 2 1 309.498 2.462 20 30 DEEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001571365465 1068251943 /nfs/dbraw/zinc/25/19/43/1068251943.db2.gz VZBIYBQFYQEJPH-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267297644 1078744070 /nfs/dbraw/zinc/74/40/70/1078744070.db2.gz DYWMDDMLYAIDIK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001279237037 1078776086 /nfs/dbraw/zinc/77/60/86/1078776086.db2.gz OKDWFQUVHNSJFY-YYIAUSFCSA-N 2 1 307.482 2.118 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001483688751 1078797827 /nfs/dbraw/zinc/79/78/27/1078797827.db2.gz QHDGKVGCMFFGPF-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001483688751 1078797831 /nfs/dbraw/zinc/79/78/31/1078797831.db2.gz QHDGKVGCMFFGPF-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001272440339 1078877117 /nfs/dbraw/zinc/87/71/17/1078877117.db2.gz LDEJCSCCUWBAIC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267601110 1079135202 /nfs/dbraw/zinc/13/52/02/1079135202.db2.gz KNAJFCCQJWFKKQ-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001483836984 1079151126 /nfs/dbraw/zinc/15/11/26/1079151126.db2.gz SKYXRFUERPDQOS-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC/C=C/CC ZINC001483932975 1079194687 /nfs/dbraw/zinc/19/46/87/1079194687.db2.gz BDIPHHPZQLZRJX-ZBKUBXTQSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC/C=C/CC ZINC001483932975 1079194689 /nfs/dbraw/zinc/19/46/89/1079194689.db2.gz BDIPHHPZQLZRJX-ZBKUBXTQSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011942 1079241343 /nfs/dbraw/zinc/24/13/43/1079241343.db2.gz NPDSHGQEXXMFAT-IAGOWNOFSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001481194532 1079323072 /nfs/dbraw/zinc/32/30/72/1079323072.db2.gz KTZYNOHPRRWGOJ-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001566129401 1075233996 /nfs/dbraw/zinc/23/39/96/1075233996.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129401 1075234000 /nfs/dbraw/zinc/23/40/00/1075234000.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001566129401 1075234003 /nfs/dbraw/zinc/23/40/03/1075234003.db2.gz FRAYNEKLHSGADI-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001566486956 1075258272 /nfs/dbraw/zinc/25/82/72/1075258272.db2.gz NGNMHVDYXTYSFC-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001566486956 1075258275 /nfs/dbraw/zinc/25/82/75/1075258275.db2.gz NGNMHVDYXTYSFC-INIZCTEOSA-N 2 1 318.465 2.158 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566843913 1075359213 /nfs/dbraw/zinc/35/92/13/1075359213.db2.gz QOTLFOFZHQMPJV-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871600 1075369125 /nfs/dbraw/zinc/36/91/25/1075369125.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001566871600 1075369111 /nfs/dbraw/zinc/36/91/11/1075369111.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001566871600 1075369117 /nfs/dbraw/zinc/36/91/17/1075369117.db2.gz GRRBBNJUVODAHS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001566914184 1075382989 /nfs/dbraw/zinc/38/29/89/1075382989.db2.gz YSADBOVELJRFBR-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001567171702 1075452599 /nfs/dbraw/zinc/45/25/99/1075452599.db2.gz HNVWDGUIDDWKOT-IRXDYDNUSA-N 2 1 316.449 2.012 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173670 1075453047 /nfs/dbraw/zinc/45/30/47/1075453047.db2.gz WCPORUMKSBSRDZ-HZPDHXFCSA-N 2 1 316.449 2.047 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567173671 1075453211 /nfs/dbraw/zinc/45/32/11/1075453211.db2.gz WCPORUMKSBSRDZ-JKSUJKDBSA-N 2 1 316.449 2.047 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001267962468 1079642654 /nfs/dbraw/zinc/64/26/54/1079642654.db2.gz DMZXJXLBSMCBEP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001484568356 1079665497 /nfs/dbraw/zinc/66/54/97/1079665497.db2.gz JORGIFFLOWOMSP-KZNAEPCWSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCC1 ZINC001484639284 1079706546 /nfs/dbraw/zinc/70/65/46/1079706546.db2.gz QMCDGMABOGSSFX-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCC1 ZINC001484639284 1079706550 /nfs/dbraw/zinc/70/65/50/1079706550.db2.gz QMCDGMABOGSSFX-KRWDZBQOSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001481320296 1079717051 /nfs/dbraw/zinc/71/70/51/1079717051.db2.gz XYSTVXJLRIZEQH-QGZVFWFLSA-N 2 1 303.450 2.304 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001484721487 1079757171 /nfs/dbraw/zinc/75/71/71/1079757171.db2.gz JDHZDKCMLYUWRG-HOTGVXAUSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001484771965 1079787716 /nfs/dbraw/zinc/78/77/16/1079787716.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771965 1079787720 /nfs/dbraw/zinc/78/77/20/1079787720.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001484771965 1079787724 /nfs/dbraw/zinc/78/77/24/1079787724.db2.gz JDFKJSUOKKWKDQ-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001268038173 1079875998 /nfs/dbraw/zinc/87/59/98/1079875998.db2.gz JZAPUMHUXGPQNP-UHFFFAOYSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001268042041 1079911969 /nfs/dbraw/zinc/91/19/69/1079911969.db2.gz JZNPUSVYBFPJFO-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001485011455 1079916736 /nfs/dbraw/zinc/91/67/36/1079916736.db2.gz MVCDYOHWPWTZNB-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001485081986 1079970349 /nfs/dbraw/zinc/97/03/49/1079970349.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001485081986 1079970357 /nfs/dbraw/zinc/97/03/57/1079970357.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001485081986 1079970363 /nfs/dbraw/zinc/97/03/63/1079970363.db2.gz AAMBCAGDBZNPFK-GOSISDBHSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001485162475 1080032543 /nfs/dbraw/zinc/03/25/43/1080032543.db2.gz IAJWWZPXTWVJKI-GJZGRUSLSA-N 2 1 307.482 2.146 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001485539053 1080286403 /nfs/dbraw/zinc/28/64/03/1080286403.db2.gz GUIRLAXKPIJRHE-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001481690521 1080304228 /nfs/dbraw/zinc/30/42/28/1080304228.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001481690521 1080304233 /nfs/dbraw/zinc/30/42/33/1080304233.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001481690521 1080304236 /nfs/dbraw/zinc/30/42/36/1080304236.db2.gz JGBWLNAZPTXYCC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001485789864 1080434686 /nfs/dbraw/zinc/43/46/86/1080434686.db2.gz BBWQMDSHTAMGBF-MRXNPFEDSA-N 2 1 318.465 2.150 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001661127452 1080445031 /nfs/dbraw/zinc/44/50/31/1080445031.db2.gz NSFBTZLJMWYFID-SJLPKXTDSA-N 2 1 319.493 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001661929670 1080545814 /nfs/dbraw/zinc/54/58/14/1080545814.db2.gz ISKYVHXPYPLVFW-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107040517 1080554233 /nfs/dbraw/zinc/55/42/33/1080554233.db2.gz IAJQPALDSCWUQQ-IXDOHACOSA-N 2 1 309.498 2.365 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001662691168 1080635609 /nfs/dbraw/zinc/63/56/09/1080635609.db2.gz REVOIOSWBAEGJR-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001662839954 1080666155 /nfs/dbraw/zinc/66/61/55/1080666155.db2.gz ZGFWZIBABGROTR-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482072326 1080774741 /nfs/dbraw/zinc/77/47/41/1080774741.db2.gz XLEZAMJLQDFQQX-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001663587589 1080783260 /nfs/dbraw/zinc/78/32/60/1080783260.db2.gz NRUDWTQBCKHGRL-CVEARBPZSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001663587589 1080783268 /nfs/dbraw/zinc/78/32/68/1080783268.db2.gz NRUDWTQBCKHGRL-CVEARBPZSA-N 2 1 318.465 2.411 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001482158859 1080867692 /nfs/dbraw/zinc/86/76/92/1080867692.db2.gz IDUAVRYMWFNICA-FUHWJXTLSA-N 2 1 315.461 2.045 20 30 DEEDMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747817 1080966111 /nfs/dbraw/zinc/96/61/11/1080966111.db2.gz UKQRYXPFYQHZAA-WMLDXEAASA-N 2 1 313.461 2.212 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001268746503 1080966806 /nfs/dbraw/zinc/96/68/06/1080966806.db2.gz KOYYNKNTKQVDLY-INIZCTEOSA-N 2 1 317.477 2.417 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001665731377 1081072334 /nfs/dbraw/zinc/07/23/34/1081072334.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001665731377 1081072339 /nfs/dbraw/zinc/07/23/39/1081072339.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001665731377 1081072346 /nfs/dbraw/zinc/07/23/46/1081072346.db2.gz LFZWVEXMUFAANN-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001665952285 1081101418 /nfs/dbraw/zinc/10/14/18/1081101418.db2.gz VIDBKCFURASYFF-CVEARBPZSA-N 2 1 305.466 2.208 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001666547046 1081161313 /nfs/dbraw/zinc/16/13/13/1081161313.db2.gz NMFMHRCYICVMLU-IAGOWNOFSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234502 1081176951 /nfs/dbraw/zinc/17/69/51/1081176951.db2.gz AMUYLPWXONYMEJ-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001667029063 1081203809 /nfs/dbraw/zinc/20/38/09/1081203809.db2.gz PRHRFDYVDJFFQQ-AEFFLSMTSA-N 2 1 315.461 2.139 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297690 1081223594 /nfs/dbraw/zinc/22/35/94/1081223594.db2.gz PJJCQMWKCNKLAP-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001667669619 1081272670 /nfs/dbraw/zinc/27/26/70/1081272670.db2.gz XIHVZQAGRQQYJX-KRWDZBQOSA-N 2 1 319.493 2.077 20 30 DEEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001269553275 1081288012 /nfs/dbraw/zinc/28/80/12/1081288012.db2.gz QAXDCGLROHXNMY-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001269553275 1081288018 /nfs/dbraw/zinc/28/80/18/1081288018.db2.gz QAXDCGLROHXNMY-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001269553275 1081288023 /nfs/dbraw/zinc/28/80/23/1081288023.db2.gz QAXDCGLROHXNMY-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)Cc1cnc[nH]1)C1CCCCCC1 ZINC001269611882 1081310299 /nfs/dbraw/zinc/31/02/99/1081310299.db2.gz UGSLNBFZMORMEA-UHFFFAOYSA-N 2 1 304.438 2.279 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)C2 ZINC001672348585 1081587379 /nfs/dbraw/zinc/58/73/79/1081587379.db2.gz SQRXKQLGMKMULX-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001672348585 1081587384 /nfs/dbraw/zinc/58/73/84/1081587384.db2.gz SQRXKQLGMKMULX-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001672348585 1081587388 /nfs/dbraw/zinc/58/73/88/1081587388.db2.gz SQRXKQLGMKMULX-VBUUOAMHSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001270803925 1081719165 /nfs/dbraw/zinc/71/91/65/1081719165.db2.gz BRKDBTHIBFWEAP-GOSISDBHSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001673385975 1081763047 /nfs/dbraw/zinc/76/30/47/1081763047.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001673385975 1081763054 /nfs/dbraw/zinc/76/30/54/1081763054.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001673385975 1081763060 /nfs/dbraw/zinc/76/30/60/1081763060.db2.gz HSLSCXKARRDRIL-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001270987007 1081866656 /nfs/dbraw/zinc/86/66/56/1081866656.db2.gz NMQINGLAGWZMFT-RDJZCZTQSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001674499221 1081883789 /nfs/dbraw/zinc/88/37/89/1081883789.db2.gz FOICPXIKRUGCHC-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361749 1081999603 /nfs/dbraw/zinc/99/96/03/1081999603.db2.gz RIMAYNWZMWMTPF-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266361749 1081999608 /nfs/dbraw/zinc/99/96/08/1081999608.db2.gz RIMAYNWZMWMTPF-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C/CC ZINC001266468385 1082056086 /nfs/dbraw/zinc/05/60/86/1082056086.db2.gz PDTSCSMJSZLBBO-ZBKUBXTQSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001493426587 1082079071 /nfs/dbraw/zinc/07/90/71/1082079071.db2.gz LBFSDAARIORHBG-UHFFFAOYSA-N 2 1 301.434 2.128 20 30 DEEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC001271923389 1082194734 /nfs/dbraw/zinc/19/47/34/1082194734.db2.gz UTRKMHUHTGCBAS-ROUUACIJSA-N 2 1 315.461 2.043 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893556 1082435748 /nfs/dbraw/zinc/43/57/48/1082435748.db2.gz CMJAZVSCHWTKEQ-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543913 1083472482 /nfs/dbraw/zinc/47/24/82/1083472482.db2.gz CNSYTGODLAUSIX-ZHALLVOQSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107617249 1083523645 /nfs/dbraw/zinc/52/36/45/1083523645.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617249 1083523655 /nfs/dbraw/zinc/52/36/55/1083523655.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617249 1083523663 /nfs/dbraw/zinc/52/36/63/1083523663.db2.gz AUXXASIMLDEZAQ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276632320 1083525679 /nfs/dbraw/zinc/52/56/79/1083525679.db2.gz DGRQQECAMYCAEA-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1 ZINC001276888130 1083666345 /nfs/dbraw/zinc/66/63/45/1083666345.db2.gz USVHZAIFKFQGCG-MAUKXSAKSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339746 1083946994 /nfs/dbraw/zinc/94/69/94/1083946994.db2.gz LGGYBVFMXSHCCE-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339746 1083947001 /nfs/dbraw/zinc/94/70/01/1083947001.db2.gz LGGYBVFMXSHCCE-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491281838 1084204037 /nfs/dbraw/zinc/20/40/37/1084204037.db2.gz LQKPKNNTKAFTEL-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2cnc[nH]2)C1 ZINC001491287945 1084213417 /nfs/dbraw/zinc/21/34/17/1084213417.db2.gz QGQIRGJHGJFHCU-GJZGRUSLSA-N 2 1 304.438 2.135 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235007880 1084272040 /nfs/dbraw/zinc/27/20/40/1084272040.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235007880 1084272048 /nfs/dbraw/zinc/27/20/48/1084272048.db2.gz RWGWPIGMVLYMQX-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001486166799 1085101888 /nfs/dbraw/zinc/10/18/88/1085101888.db2.gz NLQCKFTUVRDLJJ-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001486403241 1085289824 /nfs/dbraw/zinc/28/98/24/1085289824.db2.gz AZUCBMZCFDGRGB-HNNXBMFYSA-N 2 1 306.454 2.278 20 30 DEEDMP C=CCCC[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001486438660 1085314985 /nfs/dbraw/zinc/31/49/85/1085314985.db2.gz ULIRNCUPNIJMPI-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001486525644 1085408218 /nfs/dbraw/zinc/40/82/18/1085408218.db2.gz SDJXTHYQQHZFIP-INIZCTEOSA-N 2 1 319.424 2.059 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424947 1085603692 /nfs/dbraw/zinc/60/36/92/1085603692.db2.gz PECOMWHWKYBEIY-UOAXPGHYSA-N 2 1 317.477 2.206 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315806 1086405232 /nfs/dbraw/zinc/40/52/32/1086405232.db2.gz YZGDYAKXSRPJNM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315806 1086405235 /nfs/dbraw/zinc/40/52/35/1086405235.db2.gz YZGDYAKXSRPJNM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315806 1086405237 /nfs/dbraw/zinc/40/52/37/1086405237.db2.gz YZGDYAKXSRPJNM-SJLPKXTDSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273144608 1086773714 /nfs/dbraw/zinc/77/37/14/1086773714.db2.gz RWPHOOPULYHFNX-LJQANCHMSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310979 1088808583 /nfs/dbraw/zinc/80/85/83/1088808583.db2.gz LWEGQIWLSOXOAP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310979 1088808612 /nfs/dbraw/zinc/80/86/12/1088808612.db2.gz LWEGQIWLSOXOAP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310979 1088808632 /nfs/dbraw/zinc/80/86/32/1088808632.db2.gz LWEGQIWLSOXOAP-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903792 1089088110 /nfs/dbraw/zinc/08/81/10/1089088110.db2.gz LYNCBRPKEBTZNB-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903792 1089088134 /nfs/dbraw/zinc/08/81/34/1089088134.db2.gz LYNCBRPKEBTZNB-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903792 1089088152 /nfs/dbraw/zinc/08/81/52/1089088152.db2.gz LYNCBRPKEBTZNB-BDXSIMOUSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001082544028 1090003846 /nfs/dbraw/zinc/00/38/46/1090003846.db2.gz DZRAGBYKEXDYHC-BPLDGKMQSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522392 1090317427 /nfs/dbraw/zinc/31/74/27/1090317427.db2.gz ZICGKCQIPDTHFQ-CRAIPNDOSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343361 /nfs/dbraw/zinc/34/33/61/1090343361.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343367 /nfs/dbraw/zinc/34/33/67/1090343367.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598710 1090343373 /nfs/dbraw/zinc/34/33/73/1090343373.db2.gz BGHOTJDGQJEIAB-KZNAEPCWSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853360 1090477318 /nfs/dbraw/zinc/47/73/18/1090477318.db2.gz KJZLZUOPLXKEKD-KZNAEPCWSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049456 1090616965 /nfs/dbraw/zinc/61/69/65/1090616965.db2.gz BIJBMXATMYDQKN-KSZLIROESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010133 1090620587 /nfs/dbraw/zinc/62/05/87/1090620587.db2.gz NLHNSROELYEBDZ-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101047 1090645624 /nfs/dbraw/zinc/64/56/24/1090645624.db2.gz QQDYSNQPSAANPN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101047 1090645627 /nfs/dbraw/zinc/64/56/27/1090645627.db2.gz QQDYSNQPSAANPN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101047 1090645632 /nfs/dbraw/zinc/64/56/32/1090645632.db2.gz QQDYSNQPSAANPN-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001410499581 1091017108 /nfs/dbraw/zinc/01/71/08/1091017108.db2.gz FUVHPTFCOILFFE-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001274459848 1091254620 /nfs/dbraw/zinc/25/46/20/1091254620.db2.gz FQLNTNUQSQSMEM-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCCN(CC(=O)N(C)C)C2)C1 ZINC001274961864 1091490008 /nfs/dbraw/zinc/49/00/08/1091490008.db2.gz CMVNWGUKIZNLOG-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP CCCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275131290 1091574987 /nfs/dbraw/zinc/57/49/87/1091574987.db2.gz OJWLGXLJXDUBPC-IAGOWNOFSA-N 2 1 321.509 2.489 20 30 DEEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001275309918 1091663727 /nfs/dbraw/zinc/66/37/27/1091663727.db2.gz QTWMZAKPHXCZAV-YOEHRIQHSA-N 2 1 313.461 2.259 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001671084528 1091762552 /nfs/dbraw/zinc/76/25/52/1091762552.db2.gz CELXLBDVXOZWBZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671084528 1091762558 /nfs/dbraw/zinc/76/25/58/1091762558.db2.gz CELXLBDVXOZWBZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671084528 1091762571 /nfs/dbraw/zinc/76/25/71/1091762571.db2.gz CELXLBDVXOZWBZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001275573692 1091878461 /nfs/dbraw/zinc/87/84/61/1091878461.db2.gz GITXHRWITILZIJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001275573692 1091878468 /nfs/dbraw/zinc/87/84/68/1091878468.db2.gz GITXHRWITILZIJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCCC1 ZINC001275573692 1091878475 /nfs/dbraw/zinc/87/84/75/1091878475.db2.gz GITXHRWITILZIJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCCC1 ZINC001275573692 1091878485 /nfs/dbraw/zinc/87/84/85/1091878485.db2.gz GITXHRWITILZIJ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1CC ZINC001446017323 1092073290 /nfs/dbraw/zinc/07/32/90/1092073290.db2.gz SJUXDCKRXJKHJB-LSDHHAIUSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826727 1092238200 /nfs/dbraw/zinc/23/82/00/1092238200.db2.gz GKHYSOMJEZREDQ-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826727 1092238213 /nfs/dbraw/zinc/23/82/13/1092238213.db2.gz GKHYSOMJEZREDQ-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001490216936 1093267641 /nfs/dbraw/zinc/26/76/41/1093267641.db2.gz YMQSEVCMKJQETH-UHFFFAOYSA-N 2 1 300.406 2.271 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001490793931 1093532275 /nfs/dbraw/zinc/53/22/75/1093532275.db2.gz RECXQZXAYMZGGE-CALCHBBNSA-N 2 1 317.477 2.256 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202527182 1093628111 /nfs/dbraw/zinc/62/81/11/1093628111.db2.gz ZVSTXPWGCJIZNE-UHFFFAOYSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001318528413 1140360379 /nfs/dbraw/zinc/36/03/79/1140360379.db2.gz HASPSFCWNZGCKK-WBVHZDCISA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278395775 1140522076 /nfs/dbraw/zinc/52/20/76/1140522076.db2.gz KSPMTXUIAQPKMC-QAPCUYQASA-N 2 1 316.449 2.001 20 30 DEEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278395775 1140522084 /nfs/dbraw/zinc/52/20/84/1140522084.db2.gz KSPMTXUIAQPKMC-QAPCUYQASA-N 2 1 316.449 2.001 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001280889345 1140536515 /nfs/dbraw/zinc/53/65/15/1140536515.db2.gz NWGUNBCDOFBIHJ-QZTJIDSGSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001319878647 1140799243 /nfs/dbraw/zinc/79/92/43/1140799243.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001319878647 1140799260 /nfs/dbraw/zinc/79/92/60/1140799260.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001319878647 1140799273 /nfs/dbraw/zinc/79/92/73/1140799273.db2.gz ALPHOGLCKQRAGE-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246709181 1141041075 /nfs/dbraw/zinc/04/10/75/1141041075.db2.gz SIQNPVWSSXOJRL-JFIYKMOQSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]2CC ZINC001246761257 1141053548 /nfs/dbraw/zinc/05/35/48/1141053548.db2.gz NFJPCHIROFAOII-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]2CC ZINC001246761257 1141053557 /nfs/dbraw/zinc/05/35/57/1141053557.db2.gz NFJPCHIROFAOII-NUJGCVRESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC001278465705 1141060102 /nfs/dbraw/zinc/06/01/02/1141060102.db2.gz BQVHDXAJBDOLRW-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001278465705 1141060116 /nfs/dbraw/zinc/06/01/16/1141060116.db2.gz BQVHDXAJBDOLRW-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001278465705 1141060126 /nfs/dbraw/zinc/06/01/26/1141060126.db2.gz BQVHDXAJBDOLRW-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP N#C[C@@H]1C[C@@H]([N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246941512 1141147351 /nfs/dbraw/zinc/14/73/51/1141147351.db2.gz KNIJKACPOVLUNA-WMZOPIPTSA-N 2 1 316.424 2.024 20 30 DEEDMP N#C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1 ZINC001246941512 1141147400 /nfs/dbraw/zinc/14/74/00/1141147400.db2.gz KNIJKACPOVLUNA-WMZOPIPTSA-N 2 1 316.424 2.024 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001323946063 1141912889 /nfs/dbraw/zinc/91/28/89/1141912889.db2.gz JPUFTNFHTDWTSU-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001323946063 1141912900 /nfs/dbraw/zinc/91/29/00/1141912900.db2.gz JPUFTNFHTDWTSU-NVXWUHKLSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001324376355 1142065482 /nfs/dbraw/zinc/06/54/82/1142065482.db2.gz FCEMHSIXCDEXFE-AEFFLSMTSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C1CCCC1 ZINC001324504744 1142090162 /nfs/dbraw/zinc/09/01/62/1142090162.db2.gz FACDHLKJQPLVRU-CZUORRHYSA-N 2 1 304.438 2.039 20 30 DEEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278571268 1142211001 /nfs/dbraw/zinc/21/10/01/1142211001.db2.gz DISGIIOWCAXXPW-FUHWJXTLSA-N 2 1 307.482 2.123 20 30 DEEDMP CCCCCCCC[C@@H](O)C[NH2+]C1CC[NH+](CCO)CC1 ZINC001252132853 1142650865 /nfs/dbraw/zinc/65/08/65/1142650865.db2.gz CWWLUBIVAYSHAA-QGZVFWFLSA-N 2 1 300.487 2.144 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667877 1142724721 /nfs/dbraw/zinc/72/47/21/1142724721.db2.gz JRWUGROFCBADTP-SFHVURJKSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597116 1142777821 /nfs/dbraw/zinc/77/78/21/1142777821.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597116 1142777825 /nfs/dbraw/zinc/77/78/25/1142777825.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597116 1142777836 /nfs/dbraw/zinc/77/78/36/1142777836.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597116 1142777842 /nfs/dbraw/zinc/77/78/42/1142777842.db2.gz WVODKYQCZKWRJI-ZWKOTPCHSA-N 2 1 310.482 2.136 20 30 DEEDMP C[C@@]1(C#N)CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254041636 1143030341 /nfs/dbraw/zinc/03/03/41/1143030341.db2.gz MTBCENDCIDWPKI-SFHVURJKSA-N 2 1 313.445 2.249 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001341701322 1143671597 /nfs/dbraw/zinc/67/15/97/1143671597.db2.gz OIROUBYLPGJXJZ-MSOLQXFVSA-N 2 1 315.461 2.451 20 30 DEEDMP C=C(C)C(=O)OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256598430 1143856800 /nfs/dbraw/zinc/85/68/00/1143856800.db2.gz ZIMIEFOJXHLIJP-UHFFFAOYSA-N 2 1 302.418 2.360 20 30 DEEDMP C=CCC[C@@H](C)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727846 1144035599 /nfs/dbraw/zinc/03/55/99/1144035599.db2.gz JULFBIYGWIPQJB-HZPDHXFCSA-N 2 1 318.465 2.492 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001261703381 1144269513 /nfs/dbraw/zinc/26/95/13/1144269513.db2.gz AYGZVFCSZXLPOA-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001263870497 1144417847 /nfs/dbraw/zinc/41/78/47/1144417847.db2.gz ZTSWCPHESVXURS-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001264566818 1144567214 /nfs/dbraw/zinc/56/72/14/1144567214.db2.gz JEYYBXACLTXCRW-WBVHZDCISA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001421701669 1171913752 /nfs/dbraw/zinc/91/37/52/1171913752.db2.gz SMMYWJHMPCKGIL-RBSFLKMASA-N 2 1 313.873 2.050 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001265234919 1144674167 /nfs/dbraw/zinc/67/41/67/1144674167.db2.gz DWBRLLALOVCRSH-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235247 1144674811 /nfs/dbraw/zinc/67/48/11/1144674811.db2.gz LLLHKVLCMBPIPW-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265235247 1144674812 /nfs/dbraw/zinc/67/48/12/1144674812.db2.gz LLLHKVLCMBPIPW-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001265330180 1144694515 /nfs/dbraw/zinc/69/45/15/1144694515.db2.gz VIFJDASRIDMTKL-MRXNPFEDSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001265390809 1144701469 /nfs/dbraw/zinc/70/14/69/1144701469.db2.gz OBBONSHDBHECMF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001265390809 1144701472 /nfs/dbraw/zinc/70/14/72/1144701472.db2.gz OBBONSHDBHECMF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001265390809 1144701476 /nfs/dbraw/zinc/70/14/76/1144701476.db2.gz OBBONSHDBHECMF-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001265396922 1144702188 /nfs/dbraw/zinc/70/21/88/1144702188.db2.gz NUWXQXGCNBUXMH-HNNXBMFYSA-N 2 1 304.438 2.089 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC=C)CC1 ZINC001265736251 1144736010 /nfs/dbraw/zinc/73/60/10/1144736010.db2.gz MRGKIMAZUJKGNT-ABHNRTSZSA-N 2 1 317.477 2.067 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC=C)CC1 ZINC001265736251 1144736011 /nfs/dbraw/zinc/73/60/11/1144736011.db2.gz MRGKIMAZUJKGNT-ABHNRTSZSA-N 2 1 317.477 2.067 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266177571 1144811818 /nfs/dbraw/zinc/81/18/18/1144811818.db2.gz HPDXHLPWLINEFJ-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001280350715 1144836193 /nfs/dbraw/zinc/83/61/93/1144836193.db2.gz MVMADWXTOVBFAP-OAHLLOKOSA-N 2 1 312.417 2.345 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001282677791 1145124129 /nfs/dbraw/zinc/12/41/29/1145124129.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001282677791 1145124140 /nfs/dbraw/zinc/12/41/40/1145124140.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001282677791 1145124146 /nfs/dbraw/zinc/12/41/46/1145124146.db2.gz HOFWPDVZMDQGQP-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001283101135 1145266605 /nfs/dbraw/zinc/26/66/05/1145266605.db2.gz DKLMUPRFWOTUMA-YVSFHVDLSA-N 2 1 307.482 2.167 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001316629102 1145608098 /nfs/dbraw/zinc/60/80/98/1145608098.db2.gz CAAYYGIRTNHWPJ-ULQDDVLXSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001316629102 1145608105 /nfs/dbraw/zinc/60/81/05/1145608105.db2.gz CAAYYGIRTNHWPJ-ULQDDVLXSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001316824402 1147607746 /nfs/dbraw/zinc/60/77/46/1147607746.db2.gz HRSHEZJQCGXZIP-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001316824402 1147607748 /nfs/dbraw/zinc/60/77/48/1147607748.db2.gz HRSHEZJQCGXZIP-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001316824402 1147607751 /nfs/dbraw/zinc/60/77/51/1147607751.db2.gz HRSHEZJQCGXZIP-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001316933951 1147634376 /nfs/dbraw/zinc/63/43/76/1147634376.db2.gz PRXWFEFRZIURRQ-UHFFFAOYSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317018039 1147648851 /nfs/dbraw/zinc/64/88/51/1147648851.db2.gz XTGODFKSGGIPQO-SJORKVTESA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001367274444 1147672603 /nfs/dbraw/zinc/67/26/03/1147672603.db2.gz IYXQODUYEFEXOC-GFCCVEGCSA-N 2 1 312.845 2.101 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001317206977 1147676997 /nfs/dbraw/zinc/67/69/97/1147676997.db2.gz HTAGOVRDCGDNIU-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001317685178 1147743924 /nfs/dbraw/zinc/74/39/24/1147743924.db2.gz FYADOOGLCHEAIP-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317786493 1147752544 /nfs/dbraw/zinc/75/25/44/1147752544.db2.gz AJXDZVDCOPZMND-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317786493 1147752546 /nfs/dbraw/zinc/75/25/46/1147752546.db2.gz AJXDZVDCOPZMND-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317786493 1147752548 /nfs/dbraw/zinc/75/25/48/1147752548.db2.gz AJXDZVDCOPZMND-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317791847 1147752643 /nfs/dbraw/zinc/75/26/43/1147752643.db2.gz DJUSFISFLVVUAS-MRXNPFEDSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317791157 1147752648 /nfs/dbraw/zinc/75/26/48/1147752648.db2.gz ZYGKJXWQRPNOCY-CVEARBPZSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317791157 1147752649 /nfs/dbraw/zinc/75/26/49/1147752649.db2.gz ZYGKJXWQRPNOCY-CVEARBPZSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317847424 1147757501 /nfs/dbraw/zinc/75/75/01/1147757501.db2.gz BXSDACVJXSDVBB-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317847424 1147757503 /nfs/dbraw/zinc/75/75/03/1147757503.db2.gz BXSDACVJXSDVBB-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317847424 1147757504 /nfs/dbraw/zinc/75/75/04/1147757504.db2.gz BXSDACVJXSDVBB-ULQDDVLXSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001317870641 1147759201 /nfs/dbraw/zinc/75/92/01/1147759201.db2.gz VNLIUTZTPBDKLU-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001318273203 1147806118 /nfs/dbraw/zinc/80/61/18/1147806118.db2.gz OTZPLDUPJQXGDS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001318273203 1147806119 /nfs/dbraw/zinc/80/61/19/1147806119.db2.gz OTZPLDUPJQXGDS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001318273203 1147806123 /nfs/dbraw/zinc/80/61/23/1147806123.db2.gz OTZPLDUPJQXGDS-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000092587208 185327428 /nfs/dbraw/zinc/32/74/28/185327428.db2.gz ZXXXZXCDQRYKPT-GJZGRUSLSA-N 2 1 317.433 2.472 20 30 DEEDMP Cc1cc(C#N)ccc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000614401977 362372175 /nfs/dbraw/zinc/37/21/75/362372175.db2.gz URIQSWPVCRGMAZ-LJQANCHMSA-N 2 1 312.461 2.079 20 30 DEEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000614401977 362372189 /nfs/dbraw/zinc/37/21/89/362372189.db2.gz URIQSWPVCRGMAZ-LJQANCHMSA-N 2 1 312.461 2.079 20 30 DEEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000267431684 530008258 /nfs/dbraw/zinc/00/82/58/530008258.db2.gz MSGBQUTXRTWHQC-UHFFFAOYSA-N 2 1 312.417 2.478 20 30 DEEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000267431684 530008260 /nfs/dbraw/zinc/00/82/60/530008260.db2.gz MSGBQUTXRTWHQC-UHFFFAOYSA-N 2 1 312.417 2.478 20 30 DEEDMP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329855905 539930952 /nfs/dbraw/zinc/93/09/52/539930952.db2.gz ULMAUTMKVVFPLF-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000329855905 539930955 /nfs/dbraw/zinc/93/09/55/539930955.db2.gz ULMAUTMKVVFPLF-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000329855905 539930956 /nfs/dbraw/zinc/93/09/56/539930956.db2.gz ULMAUTMKVVFPLF-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP Cc1[nH+]ccn1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000329855905 539930957 /nfs/dbraw/zinc/93/09/57/539930957.db2.gz ULMAUTMKVVFPLF-UHFFFAOYSA-N 2 1 319.453 2.056 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000066244068 354705391 /nfs/dbraw/zinc/70/53/91/354705391.db2.gz TYCPOWQFAWERDA-INIZCTEOSA-N 2 1 316.449 2.313 20 30 DEEDMP C[C@@H](C#N)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000183839723 356181345 /nfs/dbraw/zinc/18/13/45/356181345.db2.gz IOGWOJDYZOUSKS-HNNXBMFYSA-N 2 1 300.450 2.466 20 30 DEEDMP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000595297378 358415882 /nfs/dbraw/zinc/41/58/82/358415882.db2.gz SKYGJZJJSFMCHY-GOSISDBHSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000595297378 358415883 /nfs/dbraw/zinc/41/58/83/358415883.db2.gz SKYGJZJJSFMCHY-GOSISDBHSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595297378 358415884 /nfs/dbraw/zinc/41/58/84/358415884.db2.gz SKYGJZJJSFMCHY-GOSISDBHSA-N 2 1 303.450 2.470 20 30 DEEDMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000595297378 358415885 /nfs/dbraw/zinc/41/58/85/358415885.db2.gz SKYGJZJJSFMCHY-GOSISDBHSA-N 2 1 303.450 2.470 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)CC1 ZINC000599294685 359453602 /nfs/dbraw/zinc/45/36/02/359453602.db2.gz GLHQIEITPPXZSM-IBGZPJMESA-N 2 1 312.461 2.079 20 30 DEEDMP COc1ccccc1[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCCC1 ZINC000262667933 533011364 /nfs/dbraw/zinc/01/13/64/533011364.db2.gz PSJYCUVQGJOMGB-ZBFHGGJFSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000159251822 197339869 /nfs/dbraw/zinc/33/98/69/197339869.db2.gz XQXCTBTXZBSGCW-KRWDZBQOSA-N 2 1 322.497 2.009 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349078974 146347888 /nfs/dbraw/zinc/34/78/88/146347888.db2.gz ROGFGIJDAYQAKB-MRXNPFEDSA-N 2 1 320.506 2.468 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512349 401780788 /nfs/dbraw/zinc/78/07/88/401780788.db2.gz KWQRLHDTJHSJSU-AEFFLSMTSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113512349 401780790 /nfs/dbraw/zinc/78/07/90/401780790.db2.gz KWQRLHDTJHSJSU-AEFFLSMTSA-N 2 1 318.461 2.038 20 30 DEEDMP CN(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134548935 401906128 /nfs/dbraw/zinc/90/61/28/401906128.db2.gz MYSJQDHVHILSFD-RISCZKNCSA-N 2 1 312.820 2.348 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000136084857 401960173 /nfs/dbraw/zinc/96/01/73/401960173.db2.gz ISHVTHMPQVPYPD-JKSUJKDBSA-N 2 1 304.438 2.191 20 30 DEEDMP C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000136084857 401960176 /nfs/dbraw/zinc/96/01/76/401960176.db2.gz ISHVTHMPQVPYPD-JKSUJKDBSA-N 2 1 304.438 2.191 20 30 DEEDMP C=CCNC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184755341 402297698 /nfs/dbraw/zinc/29/76/98/402297698.db2.gz XQXNESIQWYRJQK-HOTGVXAUSA-N 2 1 315.461 2.035 20 30 DEEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160670802 402356356 /nfs/dbraw/zinc/35/63/56/402356356.db2.gz KCNWTYRVEAFTNV-JTQLQIEISA-N 2 1 316.327 2.264 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)CC1 ZINC000186223799 402412499 /nfs/dbraw/zinc/41/24/99/402412499.db2.gz ZOQQRCZMRGQZOL-LJQANCHMSA-N 2 1 312.461 2.079 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247939638 402578559 /nfs/dbraw/zinc/57/85/59/402578559.db2.gz CVPUBASYSCRNPF-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247939638 402578561 /nfs/dbraw/zinc/57/85/61/402578561.db2.gz CVPUBASYSCRNPF-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247939638 402578562 /nfs/dbraw/zinc/57/85/62/402578562.db2.gz CVPUBASYSCRNPF-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247939638 402578563 /nfs/dbraw/zinc/57/85/63/402578563.db2.gz CVPUBASYSCRNPF-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280489979 403005218 /nfs/dbraw/zinc/00/52/18/403005218.db2.gz BKZQHPWUEARQQL-ULQDDVLXSA-N 2 1 300.450 2.321 20 30 DEEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000293901314 403594108 /nfs/dbraw/zinc/59/41/08/403594108.db2.gz FHFKSPCQPDGDSR-UHFFFAOYSA-N 2 1 315.461 2.213 20 30 DEEDMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1OCCCC#N ZINC000299449759 403558890 /nfs/dbraw/zinc/55/88/90/403558890.db2.gz PBYYGLFODLAJKF-UHFFFAOYSA-N 2 1 305.422 2.419 20 30 DEEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351417 403922716 /nfs/dbraw/zinc/92/27/16/403922716.db2.gz GFEGZSNATUWUPY-MRXNPFEDSA-N 2 1 302.466 2.435 20 30 DEEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289360621 403926486 /nfs/dbraw/zinc/92/64/86/403926486.db2.gz HGCWSBDCBBUINB-INIZCTEOSA-N 2 1 302.466 2.435 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000328229363 404104769 /nfs/dbraw/zinc/10/47/69/404104769.db2.gz CKSHFOWEBWNMKX-CVEARBPZSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000328229363 404104773 /nfs/dbraw/zinc/10/47/73/404104773.db2.gz CKSHFOWEBWNMKX-CVEARBPZSA-N 2 1 323.481 2.225 20 30 DEEDMP C[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC000329094344 404227165 /nfs/dbraw/zinc/22/71/65/404227165.db2.gz AXPDMYFEMUJPHD-KGLIPLIRSA-N 2 1 322.453 2.011 20 30 DEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000329094344 404227167 /nfs/dbraw/zinc/22/71/67/404227167.db2.gz AXPDMYFEMUJPHD-KGLIPLIRSA-N 2 1 322.453 2.011 20 30 DEEDMP C[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCC1 ZINC000329094344 404227169 /nfs/dbraw/zinc/22/71/69/404227169.db2.gz AXPDMYFEMUJPHD-KGLIPLIRSA-N 2 1 322.453 2.011 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104564 404727937 /nfs/dbraw/zinc/72/79/37/404727937.db2.gz LVTMORQBYVSTAQ-HOTGVXAUSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104564 404727940 /nfs/dbraw/zinc/72/79/40/404727940.db2.gz LVTMORQBYVSTAQ-HOTGVXAUSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000357109862 404728117 /nfs/dbraw/zinc/72/81/17/404728117.db2.gz XYCGQKQBSBCGNW-HZPDHXFCSA-N 2 1 302.418 2.171 20 30 DEEDMP C=CCc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1O ZINC000357109862 404728120 /nfs/dbraw/zinc/72/81/20/404728120.db2.gz XYCGQKQBSBCGNW-HZPDHXFCSA-N 2 1 302.418 2.171 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)N1 ZINC000262676293 225281635 /nfs/dbraw/zinc/28/16/35/225281635.db2.gz UAIUIAVTSIDESI-BFYDXBDKSA-N 2 1 300.450 2.224 20 30 DEEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267156583 225347011 /nfs/dbraw/zinc/34/70/11/225347011.db2.gz IOYQDVIAZFFFFG-MRXNPFEDSA-N 2 1 306.479 2.467 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328260212 1148756726 /nfs/dbraw/zinc/75/67/26/1148756726.db2.gz RUKIPJARYYJYBU-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657804909 425402440 /nfs/dbraw/zinc/40/24/40/425402440.db2.gz GWVISSPZBJJKOT-UHFFFAOYSA-N 2 1 303.454 2.063 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070414 782148420 /nfs/dbraw/zinc/14/84/20/782148420.db2.gz CMJNJFCUSAYEOQ-ZBFHGGJFSA-N 2 1 319.449 2.500 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1Cl ZINC000263170694 533988445 /nfs/dbraw/zinc/98/84/45/533988445.db2.gz RJNXUDDZIIDEIU-UHFFFAOYSA-N 2 1 308.813 2.337 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000264100085 533989212 /nfs/dbraw/zinc/98/92/12/533989212.db2.gz NVOSUSLDQKWYDR-ZDUSSCGKSA-N 2 1 320.437 2.162 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC1 ZINC000263160225 534834070 /nfs/dbraw/zinc/83/40/70/534834070.db2.gz QMZPXMZXTOLAEZ-KRWDZBQOSA-N 2 1 300.450 2.309 20 30 DEEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CC1 ZINC000264085781 526369843 /nfs/dbraw/zinc/36/98/43/526369843.db2.gz VPGBIDQLZPYSSV-ZDUSSCGKSA-N 2 1 306.479 2.288 20 30 DEEDMP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422903196 526950371 /nfs/dbraw/zinc/95/03/71/526950371.db2.gz FFFCUQRCCCNXCQ-KZNAEPCWSA-N 2 1 316.445 2.498 20 30 DEEDMP CCNC(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)=[NH+]CC ZINC000264110487 528007190 /nfs/dbraw/zinc/00/71/90/528007190.db2.gz QQKVNXNGYHMHNL-QGZVFWFLSA-N 2 1 302.466 2.126 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264098788 529075221 /nfs/dbraw/zinc/07/52/21/529075221.db2.gz MIOXYRQDKGPKHJ-OAHLLOKOSA-N 2 1 313.449 2.099 20 30 DEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001327696884 1148625957 /nfs/dbraw/zinc/62/59/57/1148625957.db2.gz YZCSISQQVHFNOK-UHFFFAOYSA-N 2 1 313.445 2.290 20 30 DEEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027648521 634383504 /nfs/dbraw/zinc/38/35/04/634383504.db2.gz XAWNKAWIMHHPRT-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027648521 634383510 /nfs/dbraw/zinc/38/35/10/634383510.db2.gz XAWNKAWIMHHPRT-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027648521 634383516 /nfs/dbraw/zinc/38/35/16/634383516.db2.gz XAWNKAWIMHHPRT-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475852 625467484 /nfs/dbraw/zinc/46/74/84/625467484.db2.gz VLLXPIUPOXOYCR-RDJZCZTQSA-N 2 1 324.428 2.188 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001026560151 625525531 /nfs/dbraw/zinc/52/55/31/625525531.db2.gz COEBGRORLSIJFT-UHFFFAOYSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000969648419 622863421 /nfs/dbraw/zinc/86/34/21/622863421.db2.gz JNEGXPMHUMRZTF-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836295 622941600 /nfs/dbraw/zinc/94/16/00/622941600.db2.gz KVXYHZHAHZCBJN-GOEBONIOSA-N 2 1 316.449 2.163 20 30 DEEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970028724 623062882 /nfs/dbraw/zinc/06/28/82/623062882.db2.gz WKOZVMRMKVWIQJ-DOTOQJQBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719955 623641936 /nfs/dbraw/zinc/64/19/36/623641936.db2.gz XNMFBHDLQJMMFN-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892880564 625684277 /nfs/dbraw/zinc/68/42/77/625684277.db2.gz DQNWDKQBUOPAJB-HOTGVXAUSA-N 2 1 312.429 2.250 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926344888 624773761 /nfs/dbraw/zinc/77/37/61/624773761.db2.gz ZFJRPQZQKDZRMS-VGUREELVSA-N 2 1 308.466 2.199 20 30 DEEDMP CCOCCC1(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CCCC1 ZINC000156935235 625175952 /nfs/dbraw/zinc/17/59/52/625175952.db2.gz DUHBOLAIYHBBQT-INIZCTEOSA-N 2 1 324.513 2.362 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372790 625242246 /nfs/dbraw/zinc/24/22/46/625242246.db2.gz XZQAUFMTXGJOHC-AEFFLSMTSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000999308101 634556509 /nfs/dbraw/zinc/55/65/09/634556509.db2.gz PIOALHIPJUVQAM-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999574268 634634823 /nfs/dbraw/zinc/63/48/23/634634823.db2.gz MRXSLIWGUMFJEI-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691716 632926764 /nfs/dbraw/zinc/92/67/64/632926764.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691716 632926768 /nfs/dbraw/zinc/92/67/68/632926768.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691716 632926773 /nfs/dbraw/zinc/92/67/73/632926773.db2.gz AAPHSAUWXQPTJT-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC000995870568 633131757 /nfs/dbraw/zinc/13/17/57/633131757.db2.gz JCJBMSSRQJJZIG-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995906622 633134201 /nfs/dbraw/zinc/13/42/01/633134201.db2.gz SAKQGFXCEURTIX-HOTGVXAUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974581039 633162207 /nfs/dbraw/zinc/16/22/07/633162207.db2.gz VRCLDROZFUWOHR-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601029 633168242 /nfs/dbraw/zinc/16/82/42/633168242.db2.gz QXOZPJUOABHZPM-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601029 633168245 /nfs/dbraw/zinc/16/82/45/633168245.db2.gz QXOZPJUOABHZPM-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601029 633168251 /nfs/dbraw/zinc/16/82/51/633168251.db2.gz QXOZPJUOABHZPM-ARFHVFGLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608255 633179194 /nfs/dbraw/zinc/17/91/94/633179194.db2.gz XSNHEEYNXZEILR-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608255 633179200 /nfs/dbraw/zinc/17/92/00/633179200.db2.gz XSNHEEYNXZEILR-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608255 633179202 /nfs/dbraw/zinc/17/92/02/633179202.db2.gz XSNHEEYNXZEILR-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465163 633262515 /nfs/dbraw/zinc/26/25/15/633262515.db2.gz RSXWSEMYYVBJJD-HNNXBMFYSA-N 2 1 313.873 2.192 20 30 DEEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1(C)C ZINC000996507589 633269303 /nfs/dbraw/zinc/26/93/03/633269303.db2.gz QFKXUMCZNDGXGV-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000996659675 633332487 /nfs/dbraw/zinc/33/24/87/633332487.db2.gz PXYPEDBALREWID-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC000996669531 633343793 /nfs/dbraw/zinc/34/37/93/633343793.db2.gz GVZZLMQXDYRTBR-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974944134 633376196 /nfs/dbraw/zinc/37/61/96/633376196.db2.gz GBCOGJCZVROTDH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974944134 633376200 /nfs/dbraw/zinc/37/62/00/633376200.db2.gz GBCOGJCZVROTDH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974944134 633376201 /nfs/dbraw/zinc/37/62/01/633376201.db2.gz GBCOGJCZVROTDH-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996977060 633551168 /nfs/dbraw/zinc/55/11/68/633551168.db2.gz GQWXWAWIGPAYFG-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997119460 633601442 /nfs/dbraw/zinc/60/14/42/633601442.db2.gz JVICNZDOFFRHHE-SJLPKXTDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463672 633833026 /nfs/dbraw/zinc/83/30/26/633833026.db2.gz GNUZNFFNBSNAAS-ZIAGYGMSSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027463672 633833030 /nfs/dbraw/zinc/83/30/30/633833030.db2.gz GNUZNFFNBSNAAS-ZIAGYGMSSA-N 2 1 301.862 2.002 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997642093 633908042 /nfs/dbraw/zinc/90/80/42/633908042.db2.gz MSSZDKIFZPLPDV-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997642095 633908289 /nfs/dbraw/zinc/90/82/89/633908289.db2.gz MSSZDKIFZPLPDV-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997874404 634017626 /nfs/dbraw/zinc/01/76/26/634017626.db2.gz LXMQCGWEMXGVKG-FUHWJXTLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951770 634072982 /nfs/dbraw/zinc/07/29/82/634072982.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951770 634072985 /nfs/dbraw/zinc/07/29/85/634072985.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951770 634072991 /nfs/dbraw/zinc/07/29/91/634072991.db2.gz ZSOCWYRHGONGPP-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998015927 634112907 /nfs/dbraw/zinc/11/29/07/634112907.db2.gz GHKOBFGSAKQLFZ-KZNAEPCWSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998015927 634112910 /nfs/dbraw/zinc/11/29/10/634112910.db2.gz GHKOBFGSAKQLFZ-KZNAEPCWSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998015927 634112915 /nfs/dbraw/zinc/11/29/15/634112915.db2.gz GHKOBFGSAKQLFZ-KZNAEPCWSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575653 634181095 /nfs/dbraw/zinc/18/10/95/634181095.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001027575653 634181100 /nfs/dbraw/zinc/18/11/00/634181100.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001027575653 634181105 /nfs/dbraw/zinc/18/11/05/634181105.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001027575653 634181121 /nfs/dbraw/zinc/18/11/21/634181121.db2.gz BTNJMJLYSFFNRD-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602062 634255861 /nfs/dbraw/zinc/25/58/61/634255861.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602062 634255865 /nfs/dbraw/zinc/25/58/65/634255865.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602062 634255869 /nfs/dbraw/zinc/25/58/69/634255869.db2.gz KQGKXKMRRMCICJ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980083302 634845258 /nfs/dbraw/zinc/84/52/58/634845258.db2.gz IAKNKFHORXOGHA-ULQDDVLXSA-N 2 1 317.477 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980170331 634873657 /nfs/dbraw/zinc/87/36/57/634873657.db2.gz BNJVCZDRIURUDM-RCCFBDPRSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707580 635282440 /nfs/dbraw/zinc/28/24/40/635282440.db2.gz HKYPFKGYAJXSJF-SFHVURJKSA-N 2 1 317.477 2.043 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000887973 635330091 /nfs/dbraw/zinc/33/00/91/635330091.db2.gz WHTCYLFTRUFIGO-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000887973 635330098 /nfs/dbraw/zinc/33/00/98/635330098.db2.gz WHTCYLFTRUFIGO-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000887973 635330107 /nfs/dbraw/zinc/33/01/07/635330107.db2.gz WHTCYLFTRUFIGO-SFHVURJKSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001079991 635401994 /nfs/dbraw/zinc/40/19/94/635401994.db2.gz JKNYRFWKEZGHIU-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001079991 635402000 /nfs/dbraw/zinc/40/20/00/635402000.db2.gz JKNYRFWKEZGHIU-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001079991 635402004 /nfs/dbraw/zinc/40/20/04/635402004.db2.gz JKNYRFWKEZGHIU-SFHVURJKSA-N 2 1 319.493 2.433 20 30 DEEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001912724 635574257 /nfs/dbraw/zinc/57/42/57/635574257.db2.gz ZCXCOONGKLDDDT-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911962 635574663 /nfs/dbraw/zinc/57/46/63/635574663.db2.gz RMCFHFMPFWVICO-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846209 635686432 /nfs/dbraw/zinc/68/64/32/635686432.db2.gz BULNXJXOYOGBQV-UHFFFAOYSA-N 2 1 322.412 2.124 20 30 DEEDMP CC#CCN1CCCC2(CN(C(=O)c3cc4c[nH]ccc-4n3)C2)C1 ZINC000981846209 635686437 /nfs/dbraw/zinc/68/64/37/635686437.db2.gz BULNXJXOYOGBQV-UHFFFAOYSA-N 2 1 322.412 2.124 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004203595 636222744 /nfs/dbraw/zinc/22/27/44/636222744.db2.gz LILPIGFPUZLEBW-OKILXGFUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004203595 636222750 /nfs/dbraw/zinc/22/27/50/636222750.db2.gz LILPIGFPUZLEBW-OKILXGFUSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586694 636269629 /nfs/dbraw/zinc/26/96/29/636269629.db2.gz SKWCFEAZHHRNOA-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586694 636269635 /nfs/dbraw/zinc/26/96/35/636269635.db2.gz SKWCFEAZHHRNOA-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586694 636269640 /nfs/dbraw/zinc/26/96/40/636269640.db2.gz SKWCFEAZHHRNOA-KSZLIROESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537490 636329008 /nfs/dbraw/zinc/32/90/08/636329008.db2.gz MAZPXJZSEYFFET-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001028537490 636329010 /nfs/dbraw/zinc/32/90/10/636329010.db2.gz MAZPXJZSEYFFET-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537490 636329012 /nfs/dbraw/zinc/32/90/12/636329012.db2.gz MAZPXJZSEYFFET-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001028537490 636329014 /nfs/dbraw/zinc/32/90/14/636329014.db2.gz MAZPXJZSEYFFET-CABCVRRESA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982831708 636495679 /nfs/dbraw/zinc/49/56/79/636495679.db2.gz QAHDJPAZDRUADY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831708 636495681 /nfs/dbraw/zinc/49/56/81/636495681.db2.gz QAHDJPAZDRUADY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831708 636495686 /nfs/dbraw/zinc/49/56/86/636495686.db2.gz QAHDJPAZDRUADY-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754360 636700447 /nfs/dbraw/zinc/70/04/47/636700447.db2.gz CXHNUZBLERIWAO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754360 636700452 /nfs/dbraw/zinc/70/04/52/636700452.db2.gz CXHNUZBLERIWAO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754360 636700458 /nfs/dbraw/zinc/70/04/58/636700458.db2.gz CXHNUZBLERIWAO-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755568 636705608 /nfs/dbraw/zinc/70/56/08/636705608.db2.gz QEMPNLKYLZDESZ-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755568 636705612 /nfs/dbraw/zinc/70/56/12/636705612.db2.gz QEMPNLKYLZDESZ-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755568 636705614 /nfs/dbraw/zinc/70/56/14/636705614.db2.gz QEMPNLKYLZDESZ-WMZOPIPTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003281 636945684 /nfs/dbraw/zinc/94/56/84/636945684.db2.gz KHRNPPCLVQMMBN-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003281 636945685 /nfs/dbraw/zinc/94/56/85/636945685.db2.gz KHRNPPCLVQMMBN-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003281 636945688 /nfs/dbraw/zinc/94/56/88/636945688.db2.gz KHRNPPCLVQMMBN-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003281 636945690 /nfs/dbraw/zinc/94/56/90/636945690.db2.gz KHRNPPCLVQMMBN-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1C ZINC000923497352 637213519 /nfs/dbraw/zinc/21/35/19/637213519.db2.gz DRNYAVFNNZEIRO-XJKSGUPXSA-N 2 1 303.450 2.390 20 30 DEEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cccc(C#N)c1=O ZINC000758217982 639929879 /nfs/dbraw/zinc/92/98/79/639929879.db2.gz AFLVOYFWIRJHOC-UHFFFAOYSA-N 2 1 324.428 2.261 20 30 DEEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cccc(C#N)c1=O ZINC000758217982 639929884 /nfs/dbraw/zinc/92/98/84/639929884.db2.gz AFLVOYFWIRJHOC-UHFFFAOYSA-N 2 1 324.428 2.261 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740761 641216372 /nfs/dbraw/zinc/21/63/72/641216372.db2.gz YDXGYRUALXEMCE-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740762 641216795 /nfs/dbraw/zinc/21/67/95/641216795.db2.gz YDXGYRUALXEMCE-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000900044402 642246403 /nfs/dbraw/zinc/24/64/03/642246403.db2.gz CDOWFVXTQLVXEX-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905098094 643799784 /nfs/dbraw/zinc/79/97/84/643799784.db2.gz QDPYLSXPLNGYRJ-LLVKDONJSA-N 2 1 316.314 2.175 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907282705 644497926 /nfs/dbraw/zinc/49/79/26/644497926.db2.gz PPOBMTBPFQPYSF-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000907862532 644664713 /nfs/dbraw/zinc/66/47/13/644664713.db2.gz XPBURZUIATWWOZ-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000809658753 646259813 /nfs/dbraw/zinc/25/98/13/646259813.db2.gz VHCHQLBGCSXDAI-UHFFFAOYSA-N 2 1 307.397 2.394 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992192663 646896499 /nfs/dbraw/zinc/89/64/99/646896499.db2.gz TYKGATZMPZCKFA-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992192663 646896501 /nfs/dbraw/zinc/89/65/01/646896501.db2.gz TYKGATZMPZCKFA-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992192663 646896504 /nfs/dbraw/zinc/89/65/04/646896504.db2.gz TYKGATZMPZCKFA-SOLBZPMBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992288782 646930392 /nfs/dbraw/zinc/93/03/92/646930392.db2.gz SNECTZFVZKUSHO-IEBWSBKVSA-N 2 1 319.493 2.408 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000815651748 647038412 /nfs/dbraw/zinc/03/84/12/647038412.db2.gz CAUDSDVBIDTFFR-QGZVFWFLSA-N 2 1 302.418 2.469 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000815651748 647038416 /nfs/dbraw/zinc/03/84/16/647038416.db2.gz CAUDSDVBIDTFFR-QGZVFWFLSA-N 2 1 302.418 2.469 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC000992468828 647042445 /nfs/dbraw/zinc/04/24/45/647042445.db2.gz ZEOBISWJNJCLPW-NEWSRXKRSA-N 2 1 317.477 2.162 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC000992468828 647042450 /nfs/dbraw/zinc/04/24/50/647042450.db2.gz ZEOBISWJNJCLPW-NEWSRXKRSA-N 2 1 317.477 2.162 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC000992468828 647042454 /nfs/dbraw/zinc/04/24/54/647042454.db2.gz ZEOBISWJNJCLPW-NEWSRXKRSA-N 2 1 317.477 2.162 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992499102 647074753 /nfs/dbraw/zinc/07/47/53/647074753.db2.gz GVRXJBGSDTYJJA-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992499102 647074757 /nfs/dbraw/zinc/07/47/57/647074757.db2.gz GVRXJBGSDTYJJA-FUHWJXTLSA-N 2 1 316.449 2.271 20 30 DEEDMP C#CCC[NH+]1CCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC000730588975 647367598 /nfs/dbraw/zinc/36/75/98/647367598.db2.gz DSASZZJLWVKOBH-UHFFFAOYSA-N 2 1 307.482 2.056 20 30 DEEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC ZINC000817918287 647380765 /nfs/dbraw/zinc/38/07/65/647380765.db2.gz KNZWFHKSVPTNCM-KFWWJZLASA-N 2 1 303.406 2.346 20 30 DEEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819151978 647595327 /nfs/dbraw/zinc/59/53/27/647595327.db2.gz JPJQVJCYZAKDQC-AEFFLSMTSA-N 2 1 301.434 2.159 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939246503 648608426 /nfs/dbraw/zinc/60/84/26/648608426.db2.gz GMQSWACMUQTSAC-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940790034 648942021 /nfs/dbraw/zinc/94/20/21/648942021.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790034 648942022 /nfs/dbraw/zinc/94/20/22/648942022.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940790034 648942024 /nfs/dbraw/zinc/94/20/24/648942024.db2.gz SFIYNBKMIYGYNP-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941237022 649028481 /nfs/dbraw/zinc/02/84/81/649028481.db2.gz GBWLYYFXANOLRD-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237022 649028483 /nfs/dbraw/zinc/02/84/83/649028483.db2.gz GBWLYYFXANOLRD-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941237022 649028486 /nfs/dbraw/zinc/02/84/86/649028486.db2.gz GBWLYYFXANOLRD-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942206468 649184555 /nfs/dbraw/zinc/18/45/55/649184555.db2.gz ZWTNDAGFNLSCED-KDOFPFPSSA-N 2 1 324.428 2.106 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256099 649191428 /nfs/dbraw/zinc/19/14/28/649191428.db2.gz CVTBQBBVEPOSEU-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948435984 649207523 /nfs/dbraw/zinc/20/75/23/649207523.db2.gz QREILWNQWLNECG-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435984 649207524 /nfs/dbraw/zinc/20/75/24/649207524.db2.gz QREILWNQWLNECG-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948435984 649207526 /nfs/dbraw/zinc/20/75/26/649207526.db2.gz QREILWNQWLNECG-MSOLQXFVSA-N 2 1 321.509 2.463 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948439280 649215673 /nfs/dbraw/zinc/21/56/73/649215673.db2.gz LWPYDWNCJMXAKU-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304761762 685259735 /nfs/dbraw/zinc/25/97/35/685259735.db2.gz UVDFYMARFXRHQO-HNNXBMFYSA-N 2 1 314.433 2.364 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239677 693896692 /nfs/dbraw/zinc/89/66/92/693896692.db2.gz JXUXXPVOESCSDU-LJQANCHMSA-N 2 1 319.493 2.363 20 30 DEEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259257 693904932 /nfs/dbraw/zinc/90/49/32/693904932.db2.gz RRPRSJIIPHAYFD-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259257 693904935 /nfs/dbraw/zinc/90/49/35/693904935.db2.gz RRPRSJIIPHAYFD-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259257 693904939 /nfs/dbraw/zinc/90/49/39/693904939.db2.gz RRPRSJIIPHAYFD-SFHVURJKSA-N 2 1 313.445 2.289 20 30 DEEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245922449 685120534 /nfs/dbraw/zinc/12/05/34/685120534.db2.gz UUXLXMBQYWFXLY-HUUCEWRRSA-N 2 1 318.465 2.220 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000246902514 685138791 /nfs/dbraw/zinc/13/87/91/685138791.db2.gz FQXSVJMCSVTBGB-CVEARBPZSA-N 2 1 300.450 2.105 20 30 DEEDMP COc1ccccc1[C@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000303788440 685235560 /nfs/dbraw/zinc/23/55/60/685235560.db2.gz UHVDYVXOXLXBHL-HNNXBMFYSA-N 2 1 304.438 2.145 20 30 DEEDMP CC(C)NC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303891626 685238493 /nfs/dbraw/zinc/23/84/93/685238493.db2.gz NEONOYRKCRMSLU-GASCZTMLSA-N 2 1 318.465 2.109 20 30 DEEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+](C)C1CC1 ZINC000303979036 685241414 /nfs/dbraw/zinc/24/14/14/685241414.db2.gz MSJJATIDZKFJDT-LBPRGKRZSA-N 2 1 318.421 2.057 20 30 DEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303985559 685242478 /nfs/dbraw/zinc/24/24/78/685242478.db2.gz SZYPUXVVAFQRDI-ZDUSSCGKSA-N 2 1 320.437 2.305 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016982864 687749313 /nfs/dbraw/zinc/74/93/13/687749313.db2.gz MQZFBOCCOJGWIV-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867960603 687851072 /nfs/dbraw/zinc/85/10/72/687851072.db2.gz NSAAZMGQLRTXCD-KPZWWZAWSA-N 2 1 320.396 2.403 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017850412 687971667 /nfs/dbraw/zinc/97/16/67/687971667.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017850412 687971670 /nfs/dbraw/zinc/97/16/70/687971670.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017850412 687971674 /nfs/dbraw/zinc/97/16/74/687971674.db2.gz ODCLBKJPSPLQGR-XLAORIBOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001019068720 688280458 /nfs/dbraw/zinc/28/04/58/688280458.db2.gz JLJGOGOVADGPCS-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026492399 688528729 /nfs/dbraw/zinc/52/87/29/688528729.db2.gz LAXLHUKFZOGTDN-OFLPRAFFSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803602 689265106 /nfs/dbraw/zinc/26/51/06/689265106.db2.gz GCJDXWILEMOVIF-BZSNNMDCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033147084 689404936 /nfs/dbraw/zinc/40/49/36/689404936.db2.gz SAIYRIAQFPWYAE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033147084 689404938 /nfs/dbraw/zinc/40/49/38/689404938.db2.gz SAIYRIAQFPWYAE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033147084 689404942 /nfs/dbraw/zinc/40/49/42/689404942.db2.gz SAIYRIAQFPWYAE-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884048 689649979 /nfs/dbraw/zinc/64/99/79/689649979.db2.gz XAEVJKHOQWOBNR-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034240955 689778189 /nfs/dbraw/zinc/77/81/89/689778189.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240955 689778191 /nfs/dbraw/zinc/77/81/91/689778191.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240955 689778194 /nfs/dbraw/zinc/77/81/94/689778194.db2.gz VHEULQUQZWAHCO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250500 689781114 /nfs/dbraw/zinc/78/11/14/689781114.db2.gz RBRZNELTYIFMBP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250500 689781120 /nfs/dbraw/zinc/78/11/20/689781120.db2.gz RBRZNELTYIFMBP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034250500 689781122 /nfs/dbraw/zinc/78/11/22/689781122.db2.gz RBRZNELTYIFMBP-ZWKOTPCHSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034281108 689792674 /nfs/dbraw/zinc/79/26/74/689792674.db2.gz CLFWCYJRWPXTIM-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034394576 689833362 /nfs/dbraw/zinc/83/33/62/689833362.db2.gz PJTGJBIYELLQNX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034394576 689833364 /nfs/dbraw/zinc/83/33/64/689833364.db2.gz PJTGJBIYELLQNX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034394576 689833365 /nfs/dbraw/zinc/83/33/65/689833365.db2.gz PJTGJBIYELLQNX-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034674071 689924059 /nfs/dbraw/zinc/92/40/59/689924059.db2.gz KLQHPXUJABGKPS-RBSFLKMASA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754278 689940983 /nfs/dbraw/zinc/94/09/83/689940983.db2.gz YKZFFYRJLLRFEP-LUKYLMHMSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001034784053 689947090 /nfs/dbraw/zinc/94/70/90/689947090.db2.gz CQSDFRVCINZWIC-BQFCYCMXSA-N 2 1 305.466 2.065 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194324 690056105 /nfs/dbraw/zinc/05/61/05/690056105.db2.gz GTIWVVPSYZLXKM-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194324 690056108 /nfs/dbraw/zinc/05/61/08/690056108.db2.gz GTIWVVPSYZLXKM-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035721638 690161115 /nfs/dbraw/zinc/16/11/15/690161115.db2.gz XOFMWVVPOKLFQZ-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858270 690194589 /nfs/dbraw/zinc/19/45/89/690194589.db2.gz RKWIHJVEOAJCGE-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001036056932 690248625 /nfs/dbraw/zinc/24/86/25/690248625.db2.gz WTNDQCSOKMVEEM-SWLSCSKDSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453757 /nfs/dbraw/zinc/45/37/57/690453757.db2.gz WDURUJOKEMOULB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453759 /nfs/dbraw/zinc/45/37/59/690453759.db2.gz WDURUJOKEMOULB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036737775 690453761 /nfs/dbraw/zinc/45/37/61/690453761.db2.gz WDURUJOKEMOULB-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820899 690485512 /nfs/dbraw/zinc/48/55/12/690485512.db2.gz QLNAPZIDMKSXMQ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820899 690485515 /nfs/dbraw/zinc/48/55/15/690485515.db2.gz QLNAPZIDMKSXMQ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820899 690485517 /nfs/dbraw/zinc/48/55/17/690485517.db2.gz QLNAPZIDMKSXMQ-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000931351764 694375930 /nfs/dbraw/zinc/37/59/30/694375930.db2.gz OXJWJNHXULORKT-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039382931 691093900 /nfs/dbraw/zinc/09/39/00/691093900.db2.gz ZGTHFNCCEPPGGG-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382931 691093903 /nfs/dbraw/zinc/09/39/03/691093903.db2.gz ZGTHFNCCEPPGGG-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382931 691093905 /nfs/dbraw/zinc/09/39/05/691093905.db2.gz ZGTHFNCCEPPGGG-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041345520 691365022 /nfs/dbraw/zinc/36/50/22/691365022.db2.gz AYKNKIXIMMSMFS-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345520 691365026 /nfs/dbraw/zinc/36/50/26/691365026.db2.gz AYKNKIXIMMSMFS-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041345520 691365028 /nfs/dbraw/zinc/36/50/28/691365028.db2.gz AYKNKIXIMMSMFS-MJGOQNOKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675728 691408540 /nfs/dbraw/zinc/40/85/40/691408540.db2.gz RQQFFWVQBUPGHQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675728 691408541 /nfs/dbraw/zinc/40/85/41/691408541.db2.gz RQQFFWVQBUPGHQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675728 691408542 /nfs/dbraw/zinc/40/85/42/691408542.db2.gz RQQFFWVQBUPGHQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042154873 691524613 /nfs/dbraw/zinc/52/46/13/691524613.db2.gz AVWVFNBWUKCGCC-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256777 691549951 /nfs/dbraw/zinc/54/99/51/691549951.db2.gz ZMMNDJOWDOVDDP-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966268 692064385 /nfs/dbraw/zinc/06/43/85/692064385.db2.gz SMKHZXBJXOTLKB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966268 692064387 /nfs/dbraw/zinc/06/43/87/692064387.db2.gz SMKHZXBJXOTLKB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966268 692064388 /nfs/dbraw/zinc/06/43/88/692064388.db2.gz SMKHZXBJXOTLKB-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984705 692069165 /nfs/dbraw/zinc/06/91/65/692069165.db2.gz HFGSROJXVZMROF-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984705 692069167 /nfs/dbraw/zinc/06/91/67/692069167.db2.gz HFGSROJXVZMROF-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984705 692069169 /nfs/dbraw/zinc/06/91/69/692069169.db2.gz HFGSROJXVZMROF-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561665 692223653 /nfs/dbraw/zinc/22/36/53/692223653.db2.gz JAOBVZDQFAIFNJ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561665 692223656 /nfs/dbraw/zinc/22/36/56/692223656.db2.gz JAOBVZDQFAIFNJ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561665 692223659 /nfs/dbraw/zinc/22/36/59/692223659.db2.gz JAOBVZDQFAIFNJ-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001048512346 692635000 /nfs/dbraw/zinc/63/50/00/692635000.db2.gz PGVYIXJOUBSYRV-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048512346 692635005 /nfs/dbraw/zinc/63/50/05/692635005.db2.gz PGVYIXJOUBSYRV-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048512346 692635008 /nfs/dbraw/zinc/63/50/08/692635008.db2.gz PGVYIXJOUBSYRV-MHORFTMASA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094671 692762088 /nfs/dbraw/zinc/76/20/88/692762088.db2.gz OWCVNKDXWLMBBQ-KURKYZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232365 692795672 /nfs/dbraw/zinc/79/56/72/692795672.db2.gz UEQUERMTDORLHC-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464588 692890381 /nfs/dbraw/zinc/89/03/81/692890381.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464588 692890384 /nfs/dbraw/zinc/89/03/84/692890384.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464588 692890389 /nfs/dbraw/zinc/89/03/89/692890389.db2.gz NWGROOJXYNQLTB-ZACQAIPSSA-N 2 1 305.466 2.111 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049514815 692906559 /nfs/dbraw/zinc/90/65/59/692906559.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514815 692906563 /nfs/dbraw/zinc/90/65/63/692906563.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049514815 692906567 /nfs/dbraw/zinc/90/65/67/692906567.db2.gz JHCVNUGXQWGHHR-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049718401 692974478 /nfs/dbraw/zinc/97/44/78/692974478.db2.gz IYWOAWGXQPZTJU-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049718401 692974480 /nfs/dbraw/zinc/97/44/80/692974480.db2.gz IYWOAWGXQPZTJU-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049718401 692974482 /nfs/dbraw/zinc/97/44/82/692974482.db2.gz IYWOAWGXQPZTJU-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760881 692991646 /nfs/dbraw/zinc/99/16/46/692991646.db2.gz HBWQQHVSGQFAFF-CVEARBPZSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049760881 692991650 /nfs/dbraw/zinc/99/16/50/692991650.db2.gz HBWQQHVSGQFAFF-CVEARBPZSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846079 693019693 /nfs/dbraw/zinc/01/96/93/693019693.db2.gz FRSSGCMYYHCZAK-SJORKVTESA-N 2 1 314.433 2.013 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846079 693019696 /nfs/dbraw/zinc/01/96/96/693019696.db2.gz FRSSGCMYYHCZAK-SJORKVTESA-N 2 1 314.433 2.013 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049898042 693040329 /nfs/dbraw/zinc/04/03/29/693040329.db2.gz WKXDIHXWFWGHFR-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095152 693106941 /nfs/dbraw/zinc/10/69/41/693106941.db2.gz AZNLONSXYNOHBW-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050172279 693129345 /nfs/dbraw/zinc/12/93/45/693129345.db2.gz IIPDCBMMPDEZCR-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183867 693131978 /nfs/dbraw/zinc/13/19/78/693131978.db2.gz VYBWELKXEOGLJK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183867 693131983 /nfs/dbraw/zinc/13/19/83/693131983.db2.gz VYBWELKXEOGLJK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183867 693131985 /nfs/dbraw/zinc/13/19/85/693131985.db2.gz VYBWELKXEOGLJK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201720 693137231 /nfs/dbraw/zinc/13/72/31/693137231.db2.gz AKGXJFFJYOIZBK-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201720 693137233 /nfs/dbraw/zinc/13/72/33/693137233.db2.gz AKGXJFFJYOIZBK-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052367842 693516360 /nfs/dbraw/zinc/51/63/60/693516360.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367842 693516363 /nfs/dbraw/zinc/51/63/63/693516363.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052367842 693516365 /nfs/dbraw/zinc/51/63/65/693516365.db2.gz BYVSQJGYHCQKIO-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052562119 693568533 /nfs/dbraw/zinc/56/85/33/693568533.db2.gz KIVILBFGUPVARK-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001052562119 693568535 /nfs/dbraw/zinc/56/85/35/693568535.db2.gz KIVILBFGUPVARK-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052935052 693651353 /nfs/dbraw/zinc/65/13/53/693651353.db2.gz PHRALBFRFFFLLY-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001052935052 693651357 /nfs/dbraw/zinc/65/13/57/693651357.db2.gz PHRALBFRFFFLLY-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001052989338 693662470 /nfs/dbraw/zinc/66/24/70/693662470.db2.gz AHZGCQNSTWCFKA-CALCHBBNSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001052989338 693662474 /nfs/dbraw/zinc/66/24/74/693662474.db2.gz AHZGCQNSTWCFKA-CALCHBBNSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001332032688 1149811140 /nfs/dbraw/zinc/81/11/40/1149811140.db2.gz PYYFPNHSMBVGIT-ZBFHGGJFSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332398994 1149856797 /nfs/dbraw/zinc/85/67/97/1149856797.db2.gz QGRIKHTVTLCPSN-HOCLYGCPSA-N 2 1 318.465 2.373 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001391859382 1156817798 /nfs/dbraw/zinc/81/77/98/1156817798.db2.gz APCIQUGMLNZRFQ-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)CN1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001392995402 1157595349 /nfs/dbraw/zinc/59/53/49/1157595349.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001392995402 1157595360 /nfs/dbraw/zinc/59/53/60/1157595360.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001392995402 1157595364 /nfs/dbraw/zinc/59/53/64/1157595364.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001392995402 1157595367 /nfs/dbraw/zinc/59/53/67/1157595367.db2.gz WYHYWTBTELQVQO-INIZCTEOSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001394510704 1158599810 /nfs/dbraw/zinc/59/98/10/1158599810.db2.gz MOSKBBBSHWJUPD-HUUCEWRRSA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001375745488 1158860290 /nfs/dbraw/zinc/86/02/90/1158860290.db2.gz YPVXSBFTKGLCOT-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001417895268 1167289826 /nfs/dbraw/zinc/28/98/26/1167289826.db2.gz BMOOPBJSRSJTLZ-UHFFFAOYSA-N 2 1 301.862 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001420965328 1171384511 /nfs/dbraw/zinc/38/45/11/1171384511.db2.gz OMLFWXMXFLDKEZ-UHFFFAOYSA-N 2 1 324.856 2.114 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001420965328 1171384519 /nfs/dbraw/zinc/38/45/19/1171384519.db2.gz OMLFWXMXFLDKEZ-UHFFFAOYSA-N 2 1 324.856 2.114 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001437160155 1179501812 /nfs/dbraw/zinc/50/18/12/1179501812.db2.gz AVBIVZIRMBUYPN-CYBMUJFWSA-N 2 1 315.889 2.486 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001438527892 1180551845 /nfs/dbraw/zinc/55/18/45/1180551845.db2.gz ZUTYAYGADGUFBI-UKRRQHHQSA-N 2 1 315.889 2.203 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442892667 1182772174 /nfs/dbraw/zinc/77/21/74/1182772174.db2.gz WOAIJSKVOMXUCP-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442892667 1182772182 /nfs/dbraw/zinc/77/21/82/1182772182.db2.gz WOAIJSKVOMXUCP-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001447792280 1184876223 /nfs/dbraw/zinc/87/62/23/1184876223.db2.gz IEENMZBJNKLTJQ-NRXISQOPSA-N 2 1 313.873 2.096 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225355 782705494 /nfs/dbraw/zinc/70/54/94/782705494.db2.gz RSYXBYROOFUKFN-JKSUJKDBSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239785 782810838 /nfs/dbraw/zinc/81/08/38/782810838.db2.gz JXMNEJHLYGQNNL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239785 782810844 /nfs/dbraw/zinc/81/08/44/782810844.db2.gz JXMNEJHLYGQNNL-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089408667 783077267 /nfs/dbraw/zinc/07/72/67/783077267.db2.gz DRDDESCBYGSQLP-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089408667 783077275 /nfs/dbraw/zinc/07/72/75/783077275.db2.gz DRDDESCBYGSQLP-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089408667 783077278 /nfs/dbraw/zinc/07/72/78/783077278.db2.gz DRDDESCBYGSQLP-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089408667 783077282 /nfs/dbraw/zinc/07/72/82/783077282.db2.gz DRDDESCBYGSQLP-IRXDYDNUSA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1 ZINC001089408668 783077292 /nfs/dbraw/zinc/07/72/92/783077292.db2.gz DRDDESCBYGSQLP-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001089408668 783077295 /nfs/dbraw/zinc/07/72/95/783077295.db2.gz DRDDESCBYGSQLP-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089408668 783077301 /nfs/dbraw/zinc/07/73/01/783077301.db2.gz DRDDESCBYGSQLP-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC(C)(C)C1 ZINC001089408668 783077304 /nfs/dbraw/zinc/07/73/04/783077304.db2.gz DRDDESCBYGSQLP-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419430 783089076 /nfs/dbraw/zinc/08/90/76/783089076.db2.gz GKZPSFAJCVEKQG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419430 783089080 /nfs/dbraw/zinc/08/90/80/783089080.db2.gz GKZPSFAJCVEKQG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419430 783089082 /nfs/dbraw/zinc/08/90/82/783089082.db2.gz GKZPSFAJCVEKQG-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560118 783208150 /nfs/dbraw/zinc/20/81/50/783208150.db2.gz WCRLWJAFSJASSX-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560118 783208154 /nfs/dbraw/zinc/20/81/54/783208154.db2.gz WCRLWJAFSJASSX-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073098818 790452342 /nfs/dbraw/zinc/45/23/42/790452342.db2.gz SQEXXYVOVIRTGO-UHFFFAOYSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001171121535 790693590 /nfs/dbraw/zinc/69/35/90/790693590.db2.gz UTLBTGYURLMHGY-IAGOWNOFSA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728203 779426879 /nfs/dbraw/zinc/42/68/79/779426879.db2.gz JNVGZOKMQVSUBJ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728203 779426884 /nfs/dbraw/zinc/42/68/84/779426884.db2.gz JNVGZOKMQVSUBJ-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840659 779478661 /nfs/dbraw/zinc/47/86/61/779478661.db2.gz IHEJWRMFGLXQQE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840659 779478664 /nfs/dbraw/zinc/47/86/64/779478664.db2.gz IHEJWRMFGLXQQE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840659 779478665 /nfs/dbraw/zinc/47/86/65/779478665.db2.gz IHEJWRMFGLXQQE-GVDBMIGSSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088326642 779957772 /nfs/dbraw/zinc/95/77/72/779957772.db2.gz UKFFMYXQGKERMP-QZTJIDSGSA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046629 781095674 /nfs/dbraw/zinc/09/56/74/781095674.db2.gz DMBOJOAPZBOIPQ-MAUKXSAKSA-N 2 1 324.428 2.447 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948045099 783301665 /nfs/dbraw/zinc/30/16/65/783301665.db2.gz WVFZKFXNDCXVHI-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000948045099 783301674 /nfs/dbraw/zinc/30/16/74/783301674.db2.gz WVFZKFXNDCXVHI-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC000948473346 783478359 /nfs/dbraw/zinc/47/83/59/783478359.db2.gz DBSYYGHJFOEHFE-MRXNPFEDSA-N 2 1 318.465 2.426 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948554622 783500814 /nfs/dbraw/zinc/50/08/14/783500814.db2.gz XOSBQGRBEFJQDO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948554622 783500819 /nfs/dbraw/zinc/50/08/19/783500819.db2.gz XOSBQGRBEFJQDO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948554622 783500828 /nfs/dbraw/zinc/50/08/28/783500828.db2.gz XOSBQGRBEFJQDO-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948619947 783531684 /nfs/dbraw/zinc/53/16/84/783531684.db2.gz AOXLNDIEIHAWTI-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001085333538 783642393 /nfs/dbraw/zinc/64/23/93/783642393.db2.gz VHJYRDHQALQHNP-HZPDHXFCSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085604044 783880134 /nfs/dbraw/zinc/88/01/34/783880134.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085604044 783880138 /nfs/dbraw/zinc/88/01/38/783880138.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085604044 783880141 /nfs/dbraw/zinc/88/01/41/783880141.db2.gz VSYUCMRDPAKXJQ-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092174 783880497 /nfs/dbraw/zinc/88/04/97/783880497.db2.gz WMENSYSLDFZOSA-CXAGYDPISA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967208217 783905484 /nfs/dbraw/zinc/90/54/84/783905484.db2.gz RNZCHWDPLJQTPJ-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001612 784684903 /nfs/dbraw/zinc/68/49/03/784684903.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001612 784684907 /nfs/dbraw/zinc/68/49/07/784684907.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001612 784684913 /nfs/dbraw/zinc/68/49/13/784684913.db2.gz CMKACFISMCVEPP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008267671 785157014 /nfs/dbraw/zinc/15/70/14/785157014.db2.gz BZZCVQWQZVCBAH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008267671 785157018 /nfs/dbraw/zinc/15/70/18/785157018.db2.gz BZZCVQWQZVCBAH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008267671 785157022 /nfs/dbraw/zinc/15/70/22/785157022.db2.gz BZZCVQWQZVCBAH-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248665 791125445 /nfs/dbraw/zinc/12/54/45/791125445.db2.gz XFVZFLNURUQPIJ-HZPDHXFCSA-N 2 1 316.449 2.048 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714414 785996696 /nfs/dbraw/zinc/99/66/96/785996696.db2.gz JWJOHVJKMSUALP-TWMKSMIVSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578244 786163447 /nfs/dbraw/zinc/16/34/47/786163447.db2.gz FVEFQGHQHCEFPP-LNLFQRSKSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014606043 786656632 /nfs/dbraw/zinc/65/66/32/786656632.db2.gz FQNWCBZMMNLPBA-AWEZNQCLSA-N 2 1 307.463 2.190 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001014606043 786656639 /nfs/dbraw/zinc/65/66/39/786656639.db2.gz FQNWCBZMMNLPBA-AWEZNQCLSA-N 2 1 307.463 2.190 20 30 DEEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429494 787213971 /nfs/dbraw/zinc/21/39/71/787213971.db2.gz HEYJEWUGARHPBL-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001130491221 787406378 /nfs/dbraw/zinc/40/63/78/787406378.db2.gz NXMRADTUGLHHBN-OAHLLOKOSA-N 2 1 320.481 2.499 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105895 787932726 /nfs/dbraw/zinc/93/27/26/787932726.db2.gz OELPGCPWBMRWEF-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063626 787962638 /nfs/dbraw/zinc/96/26/38/787962638.db2.gz OOZWIGBSXYQNLY-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063626 787962643 /nfs/dbraw/zinc/96/26/43/787962643.db2.gz OOZWIGBSXYQNLY-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063626 787962647 /nfs/dbraw/zinc/96/26/47/787962647.db2.gz OOZWIGBSXYQNLY-NCOADZHNSA-N 2 1 305.466 2.157 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121288 788287502 /nfs/dbraw/zinc/28/75/02/788287502.db2.gz GBHOMZNMPVSPTR-DLBZAZTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345365 788375581 /nfs/dbraw/zinc/37/55/81/788375581.db2.gz BDLKUNZLCHVDLB-SJORKVTESA-N 2 1 309.498 2.367 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001170750739 788919997 /nfs/dbraw/zinc/91/99/97/788919997.db2.gz MOVNILMHMPVJAJ-SJORKVTESA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135625970 789420922 /nfs/dbraw/zinc/42/09/22/789420922.db2.gz PFZDJWLMKWZDTA-GJZGRUSLSA-N 2 1 306.454 2.456 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877298 789594393 /nfs/dbraw/zinc/59/43/93/789594393.db2.gz ADMOABWAUOUGJF-HOTGVXAUSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071645466 789837648 /nfs/dbraw/zinc/83/76/48/789837648.db2.gz JPZPAJPNWBSJDG-JKSUJKDBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682174 789862468 /nfs/dbraw/zinc/86/24/68/789862468.db2.gz IDCWUONHLYEZCE-ZBFHGGJFSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071794781 789922323 /nfs/dbraw/zinc/92/23/23/789922323.db2.gz FNIWJIAQYGFBFR-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001074648767 791258865 /nfs/dbraw/zinc/25/88/65/791258865.db2.gz IMLVVDNMKAGRKO-KKUMJFAQSA-N 2 1 313.873 2.191 20 30 DEEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086849019 791567173 /nfs/dbraw/zinc/56/71/73/791567173.db2.gz RVBLYIOSSLOZBZ-RCCFBDPRSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230238 791594157 /nfs/dbraw/zinc/59/41/57/791594157.db2.gz BHWNDVGQDWTGCU-UNEWFSDZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230238 791594162 /nfs/dbraw/zinc/59/41/62/791594162.db2.gz BHWNDVGQDWTGCU-UNEWFSDZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001098463966 791635022 /nfs/dbraw/zinc/63/50/22/791635022.db2.gz JGBKWNXGDBLIEH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098463966 791635029 /nfs/dbraw/zinc/63/50/29/791635029.db2.gz JGBKWNXGDBLIEH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098463966 791635033 /nfs/dbraw/zinc/63/50/33/791635033.db2.gz JGBKWNXGDBLIEH-NCOADZHNSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160884 791701076 /nfs/dbraw/zinc/70/10/76/791701076.db2.gz NISNTSBRTJQMIQ-MRXNPFEDSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687298 791707458 /nfs/dbraw/zinc/70/74/58/791707458.db2.gz ZXJMAGXKLZWIFJ-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687298 791707464 /nfs/dbraw/zinc/70/74/64/791707464.db2.gz ZXJMAGXKLZWIFJ-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687298 791707472 /nfs/dbraw/zinc/70/74/72/791707472.db2.gz ZXJMAGXKLZWIFJ-NTDBWNAOSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157603 791935514 /nfs/dbraw/zinc/93/55/14/791935514.db2.gz GMZOSAZCFRHZIN-MJGOQNOKSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099553707 792240192 /nfs/dbraw/zinc/24/01/92/792240192.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553707 792240196 /nfs/dbraw/zinc/24/01/96/792240196.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099553707 792240200 /nfs/dbraw/zinc/24/02/00/792240200.db2.gz VRAPZZXNQCDTMT-MHORFTMASA-N 2 1 319.493 2.072 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450020 792929149 /nfs/dbraw/zinc/92/91/49/792929149.db2.gz FIZVEOYBSOWWJP-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450020 792929159 /nfs/dbraw/zinc/92/91/59/792929159.db2.gz FIZVEOYBSOWWJP-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450020 792929167 /nfs/dbraw/zinc/92/91/67/792929167.db2.gz FIZVEOYBSOWWJP-LZLYRXPVSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171647447 793157701 /nfs/dbraw/zinc/15/77/01/793157701.db2.gz VXIRHSWTLFCIQL-QZTJIDSGSA-N 2 1 321.509 2.395 20 30 DEEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927646 794102264 /nfs/dbraw/zinc/10/22/64/794102264.db2.gz FWZHOUURPSHBBE-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256503 794170866 /nfs/dbraw/zinc/17/08/66/794170866.db2.gz KYQJWNBCHNEOJE-LSDHHAIUSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868968 794507040 /nfs/dbraw/zinc/50/70/40/794507040.db2.gz SFHSIUBCBGEGPA-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874998 794509235 /nfs/dbraw/zinc/50/92/35/794509235.db2.gz LQSJSUSHTFJVLV-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnc[nH]1)C2 ZINC001112386607 794618036 /nfs/dbraw/zinc/61/80/36/794618036.db2.gz CHVGZRUOLFJLDG-YJBOKZPZSA-N 2 1 316.449 2.137 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562746 794822712 /nfs/dbraw/zinc/82/27/12/794822712.db2.gz IQIFLNSNPNQMDZ-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920560 795031466 /nfs/dbraw/zinc/03/14/66/795031466.db2.gz ADTUWOZTFWWQPD-GOSISDBHSA-N 2 1 321.509 2.396 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422666 795456023 /nfs/dbraw/zinc/45/60/23/795456023.db2.gz NXMBYBXFOFOVAA-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941686 795566423 /nfs/dbraw/zinc/56/64/23/795566423.db2.gz KJVDYCGUJCLIOJ-CRAIPNDOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C[NH+]1CCCC1)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001183044343 795794628 /nfs/dbraw/zinc/79/46/28/795794628.db2.gz ICBDXOJPCVWKQO-UHFFFAOYSA-N 2 1 315.461 2.229 20 30 DEEDMP C#CC[N@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001184115593 795999379 /nfs/dbraw/zinc/99/93/79/795999379.db2.gz KETXPRSQMGDBQR-UHFFFAOYSA-N 2 1 315.417 2.414 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168806 796200936 /nfs/dbraw/zinc/20/09/36/796200936.db2.gz JEVXOCVXOJQMAS-IRXDYDNUSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168696 796201062 /nfs/dbraw/zinc/20/10/62/796201062.db2.gz IUYQPJYXAZSJHG-DLBZAZTESA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185749538 796309946 /nfs/dbraw/zinc/30/99/46/796309946.db2.gz CJMWQCZGFVMIFT-DLBZAZTESA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161206703 796477090 /nfs/dbraw/zinc/47/70/90/796477090.db2.gz LAQSYERBJWXBKH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206703 796477092 /nfs/dbraw/zinc/47/70/92/796477092.db2.gz LAQSYERBJWXBKH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206703 796477096 /nfs/dbraw/zinc/47/70/96/796477096.db2.gz LAQSYERBJWXBKH-AEFFLSMTSA-N 2 1 319.493 2.289 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034625 796481875 /nfs/dbraw/zinc/48/18/75/796481875.db2.gz KHAWCOGRYVAQGH-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187305235 796522395 /nfs/dbraw/zinc/52/23/95/796522395.db2.gz SBLSIPIGOCDLGQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305235 796522396 /nfs/dbraw/zinc/52/23/96/796522396.db2.gz SBLSIPIGOCDLGQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187305235 796522401 /nfs/dbraw/zinc/52/24/01/796522401.db2.gz SBLSIPIGOCDLGQ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203044494 796534835 /nfs/dbraw/zinc/53/48/35/796534835.db2.gz KOMVNPJTTGNXSQ-CVEARBPZSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084460 796935759 /nfs/dbraw/zinc/93/57/59/796935759.db2.gz NSMKORKPADPTCE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084460 796935762 /nfs/dbraw/zinc/93/57/62/796935762.db2.gz NSMKORKPADPTCE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084460 796935767 /nfs/dbraw/zinc/93/57/67/796935767.db2.gz NSMKORKPADPTCE-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190742175 797066417 /nfs/dbraw/zinc/06/64/17/797066417.db2.gz BGWHPDFTJSOISZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190742175 797066423 /nfs/dbraw/zinc/06/64/23/797066423.db2.gz BGWHPDFTJSOISZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190742175 797066429 /nfs/dbraw/zinc/06/64/29/797066429.db2.gz BGWHPDFTJSOISZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163546 797148711 /nfs/dbraw/zinc/14/87/11/797148711.db2.gz WLKATGFFCZOLHJ-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551674 797225187 /nfs/dbraw/zinc/22/51/87/797225187.db2.gz PJQOIXYISPAJIK-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551674 797225192 /nfs/dbraw/zinc/22/51/92/797225192.db2.gz PJQOIXYISPAJIK-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551674 797225194 /nfs/dbraw/zinc/22/51/94/797225194.db2.gz PJQOIXYISPAJIK-GOSISDBHSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819009 797403578 /nfs/dbraw/zinc/40/35/78/797403578.db2.gz KAWJOHZDSOATLP-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819009 797403581 /nfs/dbraw/zinc/40/35/81/797403581.db2.gz KAWJOHZDSOATLP-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819009 797403585 /nfs/dbraw/zinc/40/35/85/797403585.db2.gz KAWJOHZDSOATLP-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001154083036 797458033 /nfs/dbraw/zinc/45/80/33/797458033.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 1 318.465 2.226 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001154083036 797458037 /nfs/dbraw/zinc/45/80/37/797458037.db2.gz CWUWPFWHDKLCFG-UKRRQHHQSA-N 2 1 318.465 2.226 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498580 797575669 /nfs/dbraw/zinc/57/56/69/797575669.db2.gz FTAJPHPLVHAYIQ-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040427 797668342 /nfs/dbraw/zinc/66/83/42/797668342.db2.gz QYHYYARXHIGYBJ-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP Cc1ccc(CC#N)c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001155600337 797801499 /nfs/dbraw/zinc/80/14/99/797801499.db2.gz VBFLNEMRYPEZEF-WMLDXEAASA-N 2 1 300.406 2.027 20 30 DEEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607838 797803905 /nfs/dbraw/zinc/80/39/05/797803905.db2.gz XGFNSUJLHMXFPE-MRXNPFEDSA-N 2 1 318.465 2.247 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155607838 797803914 /nfs/dbraw/zinc/80/39/14/797803914.db2.gz XGFNSUJLHMXFPE-MRXNPFEDSA-N 2 1 318.465 2.247 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195900474 797977967 /nfs/dbraw/zinc/97/79/67/797977967.db2.gz NCQCLXAQKKNPAU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195900474 797977972 /nfs/dbraw/zinc/97/79/72/797977972.db2.gz NCQCLXAQKKNPAU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195900474 797977976 /nfs/dbraw/zinc/97/79/76/797977976.db2.gz NCQCLXAQKKNPAU-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197159042 798157676 /nfs/dbraw/zinc/15/76/76/798157676.db2.gz ZZYIJUYSZPFXHG-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197159042 798157677 /nfs/dbraw/zinc/15/76/77/798157677.db2.gz ZZYIJUYSZPFXHG-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197159042 798157679 /nfs/dbraw/zinc/15/76/79/798157679.db2.gz ZZYIJUYSZPFXHG-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227113 798363711 /nfs/dbraw/zinc/36/37/11/798363711.db2.gz ABXOTLOJMBJRRO-GOSISDBHSA-N 2 1 324.428 2.284 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329597 798385528 /nfs/dbraw/zinc/38/55/28/798385528.db2.gz RSWODPZMWQRLKP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329597 798385534 /nfs/dbraw/zinc/38/55/34/798385534.db2.gz RSWODPZMWQRLKP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329597 798385539 /nfs/dbraw/zinc/38/55/39/798385539.db2.gz RSWODPZMWQRLKP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120844 798649918 /nfs/dbraw/zinc/64/99/18/798649918.db2.gz SGTFVAYRLPYTPA-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120844 798649923 /nfs/dbraw/zinc/64/99/23/798649923.db2.gz SGTFVAYRLPYTPA-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120844 798649925 /nfs/dbraw/zinc/64/99/25/798649925.db2.gz SGTFVAYRLPYTPA-GOSISDBHSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175358 798658191 /nfs/dbraw/zinc/65/81/91/798658191.db2.gz NRKQXWYUMNCZPS-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175358 798658192 /nfs/dbraw/zinc/65/81/92/798658192.db2.gz NRKQXWYUMNCZPS-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175358 798658193 /nfs/dbraw/zinc/65/81/93/798658193.db2.gz NRKQXWYUMNCZPS-NVXWUHKLSA-N 2 1 305.466 2.041 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001201094657 798711881 /nfs/dbraw/zinc/71/18/81/798711881.db2.gz ULLFVXQRTQITJA-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC(C)C)CC1 ZINC001201094657 798711884 /nfs/dbraw/zinc/71/18/84/798711884.db2.gz ULLFVXQRTQITJA-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c12 ZINC001160745302 798734661 /nfs/dbraw/zinc/73/46/61/798734661.db2.gz VUTYNIQLTODSLA-ZJUUUORDSA-N 2 1 309.295 2.387 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947123 798976137 /nfs/dbraw/zinc/97/61/37/798976137.db2.gz ZBQKJKQUTJLRGL-UHFFFAOYSA-N 2 1 305.466 2.187 20 30 DEEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164508552 799613097 /nfs/dbraw/zinc/61/30/97/799613097.db2.gz CVSCQNBLWUIBNF-MRXNPFEDSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525407 799648276 /nfs/dbraw/zinc/64/82/76/799648276.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525407 799648279 /nfs/dbraw/zinc/64/82/79/799648279.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525407 799648283 /nfs/dbraw/zinc/64/82/83/799648283.db2.gz PDZXRIOXUUDDGK-MHORFTMASA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165763511 799770906 /nfs/dbraw/zinc/77/09/06/799770906.db2.gz AGSBBGOBUCLGFS-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025301 799836648 /nfs/dbraw/zinc/83/66/48/799836648.db2.gz WNFXBHWJUGIWLO-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025301 799836655 /nfs/dbraw/zinc/83/66/55/799836655.db2.gz WNFXBHWJUGIWLO-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025301 799836661 /nfs/dbraw/zinc/83/66/61/799836661.db2.gz WNFXBHWJUGIWLO-ZACQAIPSSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420790 800045067 /nfs/dbraw/zinc/04/50/67/800045067.db2.gz XDVYDXQMZXQFEM-HUUCEWRRSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203730724 800113198 /nfs/dbraw/zinc/11/31/98/800113198.db2.gz MCXWRBLSTJHFTR-JKSUJKDBSA-N 2 1 316.449 2.175 20 30 DEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650080 800148683 /nfs/dbraw/zinc/14/86/83/800148683.db2.gz YLSXYPFQYRXWMU-UHFFFAOYSA-N 2 1 303.406 2.309 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340132 800344334 /nfs/dbraw/zinc/34/43/34/800344334.db2.gz UBYZGXWSLKKZKD-OAHLLOKOSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205524537 800369162 /nfs/dbraw/zinc/36/91/62/800369162.db2.gz PIBGYSRUJXFBFY-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(F)c1C#N ZINC001205579618 800379612 /nfs/dbraw/zinc/37/96/12/800379612.db2.gz OQMGVWPDXUWDLA-KRWDZBQOSA-N 2 1 322.403 2.416 20 30 DEEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206488681 800542134 /nfs/dbraw/zinc/54/21/34/800542134.db2.gz WZZIBJSEHXIHIO-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111129646 800847284 /nfs/dbraw/zinc/84/72/84/800847284.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111129646 800847292 /nfs/dbraw/zinc/84/72/92/800847292.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111129646 800847301 /nfs/dbraw/zinc/84/73/01/800847301.db2.gz ZTBUQTSLIATXDF-DZUCGIPZSA-N 2 1 316.449 2.276 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609950 801031156 /nfs/dbraw/zinc/03/11/56/801031156.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609950 801031162 /nfs/dbraw/zinc/03/11/62/801031162.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609950 801031168 /nfs/dbraw/zinc/03/11/68/801031168.db2.gz XPQBCBMRJFTWQJ-SQNIBIBYSA-N 2 1 308.466 2.154 20 30 DEEDMP C=CCN(CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OCC ZINC001209022199 801114230 /nfs/dbraw/zinc/11/42/30/801114230.db2.gz JBWUYIHSBDKLCN-UHFFFAOYSA-N 2 1 309.454 2.049 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229693175 801306600 /nfs/dbraw/zinc/30/66/00/801306600.db2.gz OJKJHBSNGZOSKF-GVDBMIGSSA-N 2 1 307.482 2.311 20 30 DEEDMP N#Cc1ncc(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210264830 801361631 /nfs/dbraw/zinc/36/16/31/801361631.db2.gz XUUZZMRWESGUHI-UHFFFAOYSA-N 2 1 314.780 2.155 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230284758 801381234 /nfs/dbraw/zinc/38/12/34/801381234.db2.gz SZJUQPBOECQPHK-ZACQAIPSSA-N 2 1 307.482 2.454 20 30 DEEDMP N#Cc1ccc([C@@H](O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000402166673 801868010 /nfs/dbraw/zinc/86/80/10/801868010.db2.gz RZGQJHDZRCZLSV-IBGZPJMESA-N 2 1 309.413 2.443 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987456 802041458 /nfs/dbraw/zinc/04/14/58/802041458.db2.gz HAHPTDZDCQLPPU-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987456 802041462 /nfs/dbraw/zinc/04/14/62/802041462.db2.gz HAHPTDZDCQLPPU-SJLPKXTDSA-N 2 1 315.461 2.131 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011196 802265417 /nfs/dbraw/zinc/26/54/17/802265417.db2.gz JFIOBQXTRSFIMP-LSDHHAIUSA-N 2 1 304.438 2.230 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777156 802613353 /nfs/dbraw/zinc/61/33/53/802613353.db2.gz UUQXWRJNPXUBSX-GVDBMIGSSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221882905 802624237 /nfs/dbraw/zinc/62/42/37/802624237.db2.gz HYBSZCAKHFSYNN-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C/CC)CC1 ZINC001227849632 803288244 /nfs/dbraw/zinc/28/82/44/803288244.db2.gz XCAUGSJZRNYEEK-QWNKOJSDSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC/C=C/CC)CC1 ZINC001227849632 803288245 /nfs/dbraw/zinc/28/82/45/803288245.db2.gz XCAUGSJZRNYEEK-QWNKOJSDSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001328588966 1148813663 /nfs/dbraw/zinc/81/36/63/1148813663.db2.gz RJMLKFAZMRQZOJ-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001328588966 1148813664 /nfs/dbraw/zinc/81/36/64/1148813664.db2.gz RJMLKFAZMRQZOJ-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328588966 1148813666 /nfs/dbraw/zinc/81/36/66/1148813666.db2.gz RJMLKFAZMRQZOJ-KRWDZBQOSA-N 2 1 307.482 2.075 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001328731783 1148829425 /nfs/dbraw/zinc/82/94/25/1148829425.db2.gz ABQBMKDLJKNCEO-QGZVFWFLSA-N 2 1 324.428 2.202 20 30 DEEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001328796097 1148835856 /nfs/dbraw/zinc/83/58/56/1148835856.db2.gz GUFWGKGRNUGTBH-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611660 1058191415 /nfs/dbraw/zinc/19/14/15/1058191415.db2.gz SPFPPPOSLYMXBK-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611660 1058191426 /nfs/dbraw/zinc/19/14/26/1058191426.db2.gz SPFPPPOSLYMXBK-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611660 1058191430 /nfs/dbraw/zinc/19/14/30/1058191430.db2.gz SPFPPPOSLYMXBK-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459611660 1058191436 /nfs/dbraw/zinc/19/14/36/1058191436.db2.gz SPFPPPOSLYMXBK-WMZOPIPTSA-N 2 1 301.434 2.255 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001464911655 1059229897 /nfs/dbraw/zinc/22/98/97/1059229897.db2.gz YSUQTMCABHKKIO-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001502129493 1059971320 /nfs/dbraw/zinc/97/13/20/1059971320.db2.gz GVBQRMJMFHNPBI-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001502350014 1060061715 /nfs/dbraw/zinc/06/17/15/1060061715.db2.gz LQXXCZRCIAFUPI-UHFFFAOYSA-N 2 1 312.417 2.060 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001502382588 1060094836 /nfs/dbraw/zinc/09/48/36/1060094836.db2.gz VFIFUOBFRKMPEY-UHFFFAOYSA-N 2 1 315.461 2.165 20 30 DEEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001505398814 1060532421 /nfs/dbraw/zinc/53/24/21/1060532421.db2.gz WTDGVYLMFIOQJJ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001505398814 1060532442 /nfs/dbraw/zinc/53/24/42/1060532442.db2.gz WTDGVYLMFIOQJJ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CCC ZINC001479527699 1061495505 /nfs/dbraw/zinc/49/55/05/1061495505.db2.gz IUPYTSUADTVVGH-MSOLQXFVSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479835596 1061868812 /nfs/dbraw/zinc/86/88/12/1061868812.db2.gz XWKCVJAOJMXHNZ-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001479963291 1062117355 /nfs/dbraw/zinc/11/73/55/1062117355.db2.gz XYXJFKQCIBNVSA-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001480051605 1062244196 /nfs/dbraw/zinc/24/41/96/1062244196.db2.gz SQYWTLLMTWMZBP-SJORKVTESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001480140755 1062378535 /nfs/dbraw/zinc/37/85/35/1062378535.db2.gz GJKFJDVEPNCEFL-VQHPVUNQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001506817034 1062407090 /nfs/dbraw/zinc/40/70/90/1062407090.db2.gz BUDFGVLORFXAON-XLAORIBOSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001506866718 1062453572 /nfs/dbraw/zinc/45/35/72/1062453572.db2.gz WAVNYKZIVRFVPS-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001480359034 1062707433 /nfs/dbraw/zinc/70/74/33/1062707433.db2.gz ZHNONDZKRAQRFU-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001480372463 1062732971 /nfs/dbraw/zinc/73/29/71/1062732971.db2.gz KWWUTZWZIXLRHV-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372463 1062732990 /nfs/dbraw/zinc/73/29/90/1062732990.db2.gz KWWUTZWZIXLRHV-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480372463 1062733012 /nfs/dbraw/zinc/73/30/12/1062733012.db2.gz KWWUTZWZIXLRHV-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001493213107 1063644442 /nfs/dbraw/zinc/64/44/42/1063644442.db2.gz HYVFFZKVFVWDCU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493213107 1063644447 /nfs/dbraw/zinc/64/44/47/1063644447.db2.gz HYVFFZKVFVWDCU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001493213107 1063644451 /nfs/dbraw/zinc/64/44/51/1063644451.db2.gz HYVFFZKVFVWDCU-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493237744 1063659024 /nfs/dbraw/zinc/65/90/24/1063659024.db2.gz SCEJEBBUWANTMP-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493237744 1063659028 /nfs/dbraw/zinc/65/90/28/1063659028.db2.gz SCEJEBBUWANTMP-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256339 1063672287 /nfs/dbraw/zinc/67/22/87/1063672287.db2.gz AXKWTCJAZCXJJM-HOTGVXAUSA-N 2 1 318.465 2.146 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001493966863 1064048460 /nfs/dbraw/zinc/04/84/60/1064048460.db2.gz GHAZSZAXHWZVOE-ZWKOTPCHSA-N 2 1 321.509 2.443 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001494152261 1064143924 /nfs/dbraw/zinc/14/39/24/1064143924.db2.gz BHQOVLQMOUMUQG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494152261 1064143928 /nfs/dbraw/zinc/14/39/28/1064143928.db2.gz BHQOVLQMOUMUQG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001494152261 1064143932 /nfs/dbraw/zinc/14/39/32/1064143932.db2.gz BHQOVLQMOUMUQG-QZTJIDSGSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567414217 1064187957 /nfs/dbraw/zinc/18/79/57/1064187957.db2.gz IOZFGFBGTCRVCV-KRWDZBQOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC001567660319 1064326013 /nfs/dbraw/zinc/32/60/13/1064326013.db2.gz YDXMLQXWVDOFJH-ZWKOTPCHSA-N 2 1 315.461 2.494 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001567703602 1064360816 /nfs/dbraw/zinc/36/08/16/1064360816.db2.gz WXFKZHMILUOSAS-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001567732025 1064385501 /nfs/dbraw/zinc/38/55/01/1064385501.db2.gz URAKVBRAEHYLIK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001567732025 1064385511 /nfs/dbraw/zinc/38/55/11/1064385511.db2.gz URAKVBRAEHYLIK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001567732025 1064385522 /nfs/dbraw/zinc/38/55/22/1064385522.db2.gz URAKVBRAEHYLIK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567944893 1064550162 /nfs/dbraw/zinc/55/01/62/1064550162.db2.gz DFBYCGWGKIQUEF-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001567944893 1064550175 /nfs/dbraw/zinc/55/01/75/1064550175.db2.gz DFBYCGWGKIQUEF-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976716 1064573786 /nfs/dbraw/zinc/57/37/86/1064573786.db2.gz IWGJDOKSJWYQGK-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001610977602 1078093727 /nfs/dbraw/zinc/09/37/27/1078093727.db2.gz GJIXMYASDJRPLX-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC=C)CCCC1 ZINC001568236801 1064720431 /nfs/dbraw/zinc/72/04/31/1064720431.db2.gz AXLMGKAVUZBETL-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC=C)CCCC1 ZINC001568236801 1064720440 /nfs/dbraw/zinc/72/04/40/1064720440.db2.gz AXLMGKAVUZBETL-KRWDZBQOSA-N 2 1 317.477 2.069 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001568393631 1064832903 /nfs/dbraw/zinc/83/29/03/1064832903.db2.gz PDDMXWHVMODACV-KRWDZBQOSA-N 2 1 321.509 2.348 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495397278 1064880473 /nfs/dbraw/zinc/88/04/73/1064880473.db2.gz RETVFCUWAVTSCN-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC001568452696 1064882657 /nfs/dbraw/zinc/88/26/57/1064882657.db2.gz IWLNBVGMGWYKOD-ZWKOTPCHSA-N 2 1 319.493 2.147 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001616633951 1078133524 /nfs/dbraw/zinc/13/35/24/1078133524.db2.gz NMVZWHBHQFOOLK-UHFFFAOYSA-N 2 1 303.450 2.261 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496082372 1065266430 /nfs/dbraw/zinc/26/64/30/1065266430.db2.gz ZBICWGXGACVRJY-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496082372 1065266440 /nfs/dbraw/zinc/26/64/40/1065266440.db2.gz ZBICWGXGACVRJY-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001496170386 1065319356 /nfs/dbraw/zinc/31/93/56/1065319356.db2.gz POWYFOKNCWESDN-ZDUSSCGKSA-N 2 1 312.845 2.196 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001496452072 1065480708 /nfs/dbraw/zinc/48/07/08/1065480708.db2.gz RMILUHKHNVVRPN-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001496488820 1065505101 /nfs/dbraw/zinc/50/51/01/1065505101.db2.gz CKOGLXKKPXIEJH-DOMZBBRYSA-N 2 1 324.856 2.161 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001569847963 1065765147 /nfs/dbraw/zinc/76/51/47/1065765147.db2.gz BEAPSGCKNBVDMZ-HOTGVXAUSA-N 2 1 318.465 2.267 20 30 DEEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001569985651 1065862106 /nfs/dbraw/zinc/86/21/06/1065862106.db2.gz VOBJDFACMLJHIS-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001570005139 1065874065 /nfs/dbraw/zinc/87/40/65/1065874065.db2.gz MEGHQKLCNUFAQP-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001570200740 1065973043 /nfs/dbraw/zinc/97/30/43/1065973043.db2.gz GIMHUXQSLQUVJD-UHFFFAOYSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437588 1066069534 /nfs/dbraw/zinc/06/95/34/1066069534.db2.gz OVDRFXKIISNDKV-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570437588 1066069545 /nfs/dbraw/zinc/06/95/45/1066069545.db2.gz OVDRFXKIISNDKV-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001570504700 1066099501 /nfs/dbraw/zinc/09/95/01/1066099501.db2.gz QAABKLYIXKKNFL-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP CC#CC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001570504700 1066099507 /nfs/dbraw/zinc/09/95/07/1066099507.db2.gz QAABKLYIXKKNFL-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001570504700 1066099514 /nfs/dbraw/zinc/09/95/14/1066099514.db2.gz QAABKLYIXKKNFL-UHFFFAOYSA-N 2 1 321.509 2.302 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498488552 1066741311 /nfs/dbraw/zinc/74/13/11/1066741311.db2.gz IHIKJSKGYQJVTG-HZPDHXFCSA-N 2 1 309.498 2.415 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001498999843 1067013240 /nfs/dbraw/zinc/01/32/40/1067013240.db2.gz ICEPQTKLRYEPOH-HZPDHXFCSA-N 2 1 304.438 2.237 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001483471131 1078554461 /nfs/dbraw/zinc/55/44/61/1078554461.db2.gz GBPPUHLZALOONS-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCC1 ZINC001483471131 1078554466 /nfs/dbraw/zinc/55/44/66/1078554466.db2.gz GBPPUHLZALOONS-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001570530206 1067986630 /nfs/dbraw/zinc/98/66/30/1067986630.db2.gz GPBOWENPBAXKTQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570530206 1067986635 /nfs/dbraw/zinc/98/66/35/1067986635.db2.gz GPBOWENPBAXKTQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001570530206 1067986642 /nfs/dbraw/zinc/98/66/42/1067986642.db2.gz GPBOWENPBAXKTQ-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001570575158 1068015871 /nfs/dbraw/zinc/01/58/71/1068015871.db2.gz SBIHMIFJZBVNJR-UHFFFAOYSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267216874 1078672889 /nfs/dbraw/zinc/67/28/89/1078672889.db2.gz SJBFXFCBDPXDOH-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001571513490 1068371582 /nfs/dbraw/zinc/37/15/82/1068371582.db2.gz SNOKRALEGRDRBR-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267267888 1078714243 /nfs/dbraw/zinc/71/42/43/1078714243.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267267888 1078714246 /nfs/dbraw/zinc/71/42/46/1078714246.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001267267888 1078714251 /nfs/dbraw/zinc/71/42/51/1078714251.db2.gz TULGPYXNTGDKDZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001571645894 1068457390 /nfs/dbraw/zinc/45/73/90/1068457390.db2.gz XSXYVEYDJVQLJZ-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282702 1078729853 /nfs/dbraw/zinc/72/98/53/1078729853.db2.gz SEIQBCRPBXEESW-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267302962 1078749333 /nfs/dbraw/zinc/74/93/33/1078749333.db2.gz JCRBAVQFPINYKS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001267334987 1078773631 /nfs/dbraw/zinc/77/36/31/1078773631.db2.gz WCQPPXVLPMNKSS-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001267334987 1078773636 /nfs/dbraw/zinc/77/36/36/1078773636.db2.gz WCQPPXVLPMNKSS-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001267334987 1078773641 /nfs/dbraw/zinc/77/36/41/1078773641.db2.gz WCQPPXVLPMNKSS-HNNXBMFYSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483710182 1078841774 /nfs/dbraw/zinc/84/17/74/1078841774.db2.gz VRWPETNAHKRRDE-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483710182 1078841783 /nfs/dbraw/zinc/84/17/83/1078841783.db2.gz VRWPETNAHKRRDE-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[C@@]1(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCC[NH2+]1 ZINC001574888474 1069286557 /nfs/dbraw/zinc/28/65/57/1069286557.db2.gz FPIKFVWSSZSPTD-SFHVURJKSA-N 2 1 319.449 2.258 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267603129 1079155625 /nfs/dbraw/zinc/15/56/25/1079155625.db2.gz MAMDAXZQRJDMJW-MRXNPFEDSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481118407 1079206270 /nfs/dbraw/zinc/20/62/70/1079206270.db2.gz HQDMATBOJGRKML-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118407 1079206274 /nfs/dbraw/zinc/20/62/74/1079206274.db2.gz HQDMATBOJGRKML-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481118407 1079206278 /nfs/dbraw/zinc/20/62/78/1079206278.db2.gz HQDMATBOJGRKML-SJLPKXTDSA-N 2 1 315.461 2.304 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001484001626 1079237118 /nfs/dbraw/zinc/23/71/18/1079237118.db2.gz QESBCDMXSGIOPH-OIISXLGYSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001566902226 1075379678 /nfs/dbraw/zinc/37/96/78/1075379678.db2.gz QMNQZFMXOZOOJU-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001566955381 1075398335 /nfs/dbraw/zinc/39/83/35/1075398335.db2.gz LTVMFILLBCJNTL-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967316 1075403403 /nfs/dbraw/zinc/40/34/03/1075403403.db2.gz LGLOSQLICUEPRD-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566967316 1075403406 /nfs/dbraw/zinc/40/34/06/1075403406.db2.gz LGLOSQLICUEPRD-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267775440 1079485615 /nfs/dbraw/zinc/48/56/15/1079485615.db2.gz RNNBGPQKONUROQ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267775440 1079485618 /nfs/dbraw/zinc/48/56/18/1079485618.db2.gz RNNBGPQKONUROQ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001267960558 1079640853 /nfs/dbraw/zinc/64/08/53/1079640853.db2.gz ISWGBNXSBJLKED-GDBMZVCRSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001484765766 1079792200 /nfs/dbraw/zinc/79/22/00/1079792200.db2.gz RCOWBQIDIAZMFC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001485033577 1079930345 /nfs/dbraw/zinc/93/03/45/1079930345.db2.gz MCZMSNNTYHJABZ-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001485033577 1079930349 /nfs/dbraw/zinc/93/03/49/1079930349.db2.gz MCZMSNNTYHJABZ-UHFFFAOYSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485068665 1079946356 /nfs/dbraw/zinc/94/63/56/1079946356.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485068665 1079946361 /nfs/dbraw/zinc/94/63/61/1079946361.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001485068665 1079946363 /nfs/dbraw/zinc/94/63/63/1079946363.db2.gz GKHPDBBASORVRJ-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001481521866 1079992368 /nfs/dbraw/zinc/99/23/68/1079992368.db2.gz VHZLBOVVSURZQW-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001481521866 1079992373 /nfs/dbraw/zinc/99/23/73/1079992373.db2.gz VHZLBOVVSURZQW-UHFFFAOYSA-N 2 1 309.498 2.463 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001481521919 1079992664 /nfs/dbraw/zinc/99/26/64/1079992664.db2.gz XECYWINFAIRZHS-IRXDYDNUSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268068820 1080015891 /nfs/dbraw/zinc/01/58/91/1080015891.db2.gz OUJQFHOJWWLKLQ-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001656108943 1080047509 /nfs/dbraw/zinc/04/75/09/1080047509.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001656108943 1080047520 /nfs/dbraw/zinc/04/75/20/1080047520.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001656108943 1080047527 /nfs/dbraw/zinc/04/75/27/1080047527.db2.gz AOHYDLMOVLUHMI-IAGOWNOFSA-N 2 1 309.498 2.441 20 30 DEEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268106513 1080077830 /nfs/dbraw/zinc/07/78/30/1080077830.db2.gz UTFBLYFOHFZLEF-IAGOWNOFSA-N 2 1 307.482 2.003 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110449 /nfs/dbraw/zinc/11/04/49/1080110449.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110453 /nfs/dbraw/zinc/11/04/53/1080110453.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001656653185 1080110458 /nfs/dbraw/zinc/11/04/58/1080110458.db2.gz WHOCMRUURDJGAF-NJAFHUGGSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001656817308 1080127703 /nfs/dbraw/zinc/12/77/03/1080127703.db2.gz AJRMOPYGJPZSKI-IXDOHACOSA-N 2 1 307.482 2.073 20 30 DEEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001657075580 1080152742 /nfs/dbraw/zinc/15/27/42/1080152742.db2.gz FKLQQTSBYQFYPI-DLBZAZTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001268193310 1080179439 /nfs/dbraw/zinc/17/94/39/1080179439.db2.gz JWJLQNBIAPAZPV-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268193310 1080179442 /nfs/dbraw/zinc/17/94/42/1080179442.db2.gz JWJLQNBIAPAZPV-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268193310 1080179444 /nfs/dbraw/zinc/17/94/44/1080179444.db2.gz JWJLQNBIAPAZPV-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCCCC1 ZINC001268240090 1080222221 /nfs/dbraw/zinc/22/22/21/1080222221.db2.gz ZSVUONVJGPJAJA-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCCCC1 ZINC001268240090 1080222227 /nfs/dbraw/zinc/22/22/27/1080222227.db2.gz ZSVUONVJGPJAJA-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001268240090 1080222233 /nfs/dbraw/zinc/22/22/33/1080222233.db2.gz ZSVUONVJGPJAJA-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCCCC1 ZINC001268240090 1080222238 /nfs/dbraw/zinc/22/22/38/1080222238.db2.gz ZSVUONVJGPJAJA-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481690044 1080304750 /nfs/dbraw/zinc/30/47/50/1080304750.db2.gz CRLGJIWHNYRAFO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481690044 1080304759 /nfs/dbraw/zinc/30/47/59/1080304759.db2.gz CRLGJIWHNYRAFO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481690044 1080304766 /nfs/dbraw/zinc/30/47/66/1080304766.db2.gz CRLGJIWHNYRAFO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481690044 1080304775 /nfs/dbraw/zinc/30/47/75/1080304775.db2.gz CRLGJIWHNYRAFO-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001485658359 1080350106 /nfs/dbraw/zinc/35/01/06/1080350106.db2.gz SFDJAPGYLUMQDQ-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001661156182 1080448286 /nfs/dbraw/zinc/44/82/86/1080448286.db2.gz DNXIJIQDJFTWAF-BHYGNILZSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001661220697 1080458599 /nfs/dbraw/zinc/45/85/99/1080458599.db2.gz IZWAKXRNKKWBOK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001661220697 1080458601 /nfs/dbraw/zinc/45/86/01/1080458601.db2.gz IZWAKXRNKKWBOK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001661220697 1080458609 /nfs/dbraw/zinc/45/86/09/1080458609.db2.gz IZWAKXRNKKWBOK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001661221006 1080458795 /nfs/dbraw/zinc/45/87/95/1080458795.db2.gz MHEHNXVMZWHTGV-INIZCTEOSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106980799 1080490293 /nfs/dbraw/zinc/49/02/93/1080490293.db2.gz BEMYXHPWAOBMTE-FGTMMUONSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1=CCCCC1 ZINC001268458923 1080520624 /nfs/dbraw/zinc/52/06/24/1080520624.db2.gz KXXFNLCWCJINFS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1=CCCCC1 ZINC001268458923 1080520627 /nfs/dbraw/zinc/52/06/27/1080520627.db2.gz KXXFNLCWCJINFS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001482018254 1080690716 /nfs/dbraw/zinc/69/07/16/1080690716.db2.gz NHVHGKFRNMCKMH-BRSBDYLESA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268691317 1080937178 /nfs/dbraw/zinc/93/71/78/1080937178.db2.gz UEOFSIAGZWWYGR-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001664686802 1080942941 /nfs/dbraw/zinc/94/29/41/1080942941.db2.gz NFKXGTRKFIYIGO-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001664755816 1080955455 /nfs/dbraw/zinc/95/54/55/1080955455.db2.gz YTNRNLWHXRIHII-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664807009 1080963378 /nfs/dbraw/zinc/96/33/78/1080963378.db2.gz PKEKPOLHHFNCBO-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268742417 1080963666 /nfs/dbraw/zinc/96/36/66/1080963666.db2.gz HOUFMRNCOGONQJ-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268742417 1080963677 /nfs/dbraw/zinc/96/36/77/1080963677.db2.gz HOUFMRNCOGONQJ-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268742417 1080963681 /nfs/dbraw/zinc/96/36/81/1080963681.db2.gz HOUFMRNCOGONQJ-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664818267 1080966066 /nfs/dbraw/zinc/96/60/66/1080966066.db2.gz RKFXCOMRHKPMER-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818267 1080966069 /nfs/dbraw/zinc/96/60/69/1080966069.db2.gz RKFXCOMRHKPMER-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001664818267 1080966076 /nfs/dbraw/zinc/96/60/76/1080966076.db2.gz RKFXCOMRHKPMER-IRXDYDNUSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268747779 1080967071 /nfs/dbraw/zinc/96/70/71/1080967071.db2.gz UKQRYXPFYQHZAA-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]cn1 ZINC001268947327 1081060725 /nfs/dbraw/zinc/06/07/25/1081060725.db2.gz LDEZHNHFPHBAMO-IRXDYDNUSA-N 2 1 316.449 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001269187539 1081157453 /nfs/dbraw/zinc/15/74/53/1081157453.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001269187539 1081157457 /nfs/dbraw/zinc/15/74/57/1081157457.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001269187539 1081157461 /nfs/dbraw/zinc/15/74/61/1081157461.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269187539 1081157465 /nfs/dbraw/zinc/15/74/65/1081157465.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001269187539 1081157466 /nfs/dbraw/zinc/15/74/66/1081157466.db2.gz SKHRUDPBOGUMIK-MSOLQXFVSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667151056 1081216929 /nfs/dbraw/zinc/21/69/29/1081216929.db2.gz JHOAYDZKKJUFGE-WBVHZDCISA-N 2 1 307.482 2.169 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001667565522 1081263882 /nfs/dbraw/zinc/26/38/82/1081263882.db2.gz FTBKJTJSBIHHMU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667565522 1081263887 /nfs/dbraw/zinc/26/38/87/1081263887.db2.gz FTBKJTJSBIHHMU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667565522 1081263891 /nfs/dbraw/zinc/26/38/91/1081263891.db2.gz FTBKJTJSBIHHMU-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307216 1081290873 /nfs/dbraw/zinc/29/08/73/1081290873.db2.gz CTHBDUUVNLSRDU-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307216 1081290875 /nfs/dbraw/zinc/29/08/75/1081290875.db2.gz CTHBDUUVNLSRDU-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307216 1081290881 /nfs/dbraw/zinc/29/08/81/1081290881.db2.gz CTHBDUUVNLSRDU-ZACQAIPSSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001668178846 1081324564 /nfs/dbraw/zinc/32/45/64/1081324564.db2.gz NGWHLBVPVYVKFX-HUUCEWRRSA-N 2 1 315.889 2.345 20 30 DEEDMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001270055111 1081439384 /nfs/dbraw/zinc/43/93/84/1081439384.db2.gz WASKCEAPBLRRNH-GOSISDBHSA-N 2 1 315.461 2.453 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001669710549 1081463975 /nfs/dbraw/zinc/46/39/75/1081463975.db2.gz CGDFUQKQBKMXRG-DOTOQJQBSA-N 2 1 303.450 2.350 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628424 1081546161 /nfs/dbraw/zinc/54/61/61/1081546161.db2.gz QQPVXSAOHJIZSB-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628424 1081546165 /nfs/dbraw/zinc/54/61/65/1081546165.db2.gz QQPVXSAOHJIZSB-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671887333 1081546691 /nfs/dbraw/zinc/54/66/91/1081546691.db2.gz NAZYJOCEKUDKET-HKUYNNGSSA-N 2 1 319.493 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001673496168 1081776689 /nfs/dbraw/zinc/77/66/89/1081776689.db2.gz HXHOKUJMRFQWGS-IAGOWNOFSA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154786 1081849227 /nfs/dbraw/zinc/84/92/27/1081849227.db2.gz MLKPVRIGFNHZBR-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154786 1081849232 /nfs/dbraw/zinc/84/92/32/1081849232.db2.gz MLKPVRIGFNHZBR-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154786 1081849236 /nfs/dbraw/zinc/84/92/36/1081849236.db2.gz MLKPVRIGFNHZBR-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001674154786 1081849240 /nfs/dbraw/zinc/84/92/40/1081849240.db2.gz MLKPVRIGFNHZBR-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482451249 1081889273 /nfs/dbraw/zinc/88/92/73/1081889273.db2.gz STHCWQJUKIXZIB-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CCC[NH2+]CC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001674566292 1081890566 /nfs/dbraw/zinc/89/05/66/1081890566.db2.gz XOGNTIFSOHKUQR-UHFFFAOYSA-N 2 1 319.493 2.149 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001271287145 1082004955 /nfs/dbraw/zinc/00/49/55/1082004955.db2.gz ZAZPXNNXOSUMDO-QZTJIDSGSA-N 2 1 321.509 2.252 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001271750992 1082146084 /nfs/dbraw/zinc/14/60/84/1082146084.db2.gz XIAHYFBVDCAWJX-BCDXTJNWSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001266617667 1082220892 /nfs/dbraw/zinc/22/08/92/1082220892.db2.gz SCBGIOYXXQFPQX-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266758439 1082325849 /nfs/dbraw/zinc/32/58/49/1082325849.db2.gz SUONYZZECWIFDR-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768037 1082331836 /nfs/dbraw/zinc/33/18/36/1082331836.db2.gz WRGJPWHWNYGOAX-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001671678843 1082442918 /nfs/dbraw/zinc/44/29/18/1082442918.db2.gz PJMLYMRZOXHTHA-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530802 1083469528 /nfs/dbraw/zinc/46/95/28/1083469528.db2.gz MOPWRAGWGKAVCQ-GDBMZVCRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001491031785 1084020240 /nfs/dbraw/zinc/02/02/40/1084020240.db2.gz QTKNCBBOTRYLEB-GASCZTMLSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001491046840 1084028068 /nfs/dbraw/zinc/02/80/68/1084028068.db2.gz ADOBUFMHVXXOCL-QUSNUVHPSA-N 2 1 307.482 2.308 20 30 DEEDMP C#CC[NH+](CCNC(=O)C[N@H+](C)CCC)C1CCCCCC1 ZINC001670976504 1084180567 /nfs/dbraw/zinc/18/05/67/1084180567.db2.gz BBIIREFIBCMWNN-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP N#CCCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277944894 1084427502 /nfs/dbraw/zinc/42/75/02/1084427502.db2.gz FBGIRHFBJHXVNS-UHFFFAOYSA-N 2 1 315.465 2.365 20 30 DEEDMP N#CCCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441584 /nfs/dbraw/zinc/44/15/84/1084441584.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 2 1 301.438 2.247 20 30 DEEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441588 /nfs/dbraw/zinc/44/15/88/1084441588.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 2 1 301.438 2.247 20 30 DEEDMP N#CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001277947969 1084441594 /nfs/dbraw/zinc/44/15/94/1084441594.db2.gz CHSXNXAQQDOYPA-CALCHBBNSA-N 2 1 301.438 2.247 20 30 DEEDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCCCC#N)CC2)C1 ZINC001277951009 1084453730 /nfs/dbraw/zinc/45/37/30/1084453730.db2.gz BUWKRPHVNOVGRN-UHFFFAOYSA-N 2 1 306.498 2.420 20 30 DEEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001486166797 1085101674 /nfs/dbraw/zinc/10/16/74/1085101674.db2.gz NLQCKFTUVRDLJJ-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCCC)CC1 ZINC001486510747 1085393334 /nfs/dbraw/zinc/39/33/34/1085393334.db2.gz RAEWVUBUVOVYNS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCCC)CC1 ZINC001486510747 1085393339 /nfs/dbraw/zinc/39/33/39/1085393339.db2.gz RAEWVUBUVOVYNS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCCC)CC1 ZINC001486510747 1085393343 /nfs/dbraw/zinc/39/33/43/1085393343.db2.gz RAEWVUBUVOVYNS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCCC)CC1 ZINC001486510747 1085393350 /nfs/dbraw/zinc/39/33/50/1085393350.db2.gz RAEWVUBUVOVYNS-SFHVURJKSA-N 2 1 317.477 2.023 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961950391 1085918686 /nfs/dbraw/zinc/91/86/86/1085918686.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961950391 1085918691 /nfs/dbraw/zinc/91/86/91/1085918691.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961950391 1085918698 /nfs/dbraw/zinc/91/86/98/1085918698.db2.gz XDAAJGZZWJGUGK-XDNAFOTISA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018392 1085979095 /nfs/dbraw/zinc/97/90/95/1085979095.db2.gz KAKORCIURKJMOY-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800037 1086560952 /nfs/dbraw/zinc/56/09/52/1086560952.db2.gz CLGGZXAFLZHQDU-DKVCYUOUSA-N 2 1 317.477 2.064 20 30 DEEDMP C=C(C)CN1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144851 1086816926 /nfs/dbraw/zinc/81/69/26/1086816926.db2.gz SXDPJZUPOLNFSR-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000957287140 1088148359 /nfs/dbraw/zinc/14/83/59/1088148359.db2.gz XNZIQLNXAHLZKL-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000957287140 1088148365 /nfs/dbraw/zinc/14/83/65/1088148365.db2.gz XNZIQLNXAHLZKL-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001079805102 1088425687 /nfs/dbraw/zinc/42/56/87/1088425687.db2.gz JAFMQSNCNDYEJX-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079805102 1088425703 /nfs/dbraw/zinc/42/57/03/1088425703.db2.gz JAFMQSNCNDYEJX-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001079805102 1088425708 /nfs/dbraw/zinc/42/57/08/1088425708.db2.gz JAFMQSNCNDYEJX-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851242 1090474479 /nfs/dbraw/zinc/47/44/79/1090474479.db2.gz SZGWADLWEINPCV-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963443 1090547509 /nfs/dbraw/zinc/54/75/09/1090547509.db2.gz VHHUBUDXRHUVEP-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963443 1090547511 /nfs/dbraw/zinc/54/75/11/1090547511.db2.gz VHHUBUDXRHUVEP-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963443 1090547517 /nfs/dbraw/zinc/54/75/17/1090547517.db2.gz VHHUBUDXRHUVEP-SQNIBIBYSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964911 1090550242 /nfs/dbraw/zinc/55/02/42/1090550242.db2.gz XWPONLITMAPBIX-IKGGRYGDSA-N 2 1 307.482 2.072 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556795 /nfs/dbraw/zinc/55/67/95/1090556795.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556799 /nfs/dbraw/zinc/55/67/99/1090556799.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084977852 1090556804 /nfs/dbraw/zinc/55/68/04/1090556804.db2.gz IOUIGSZKKMJLOS-KURKYZTESA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025146 1090600072 /nfs/dbraw/zinc/60/00/72/1090600072.db2.gz GOMXVLLZNAIQOM-FGTMMUONSA-N 2 1 321.509 2.462 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001410499646 1091017294 /nfs/dbraw/zinc/01/72/94/1091017294.db2.gz FUVHPTFCOILFFE-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001274269847 1091159199 /nfs/dbraw/zinc/15/91/99/1091159199.db2.gz OKBTWQMZESKEPV-IAGOWNOFSA-N 2 1 310.401 2.314 20 30 DEEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001274611829 1091325384 /nfs/dbraw/zinc/32/53/84/1091325384.db2.gz WVQHRXMTLSPKIE-JJEJIETFSA-N 2 1 301.434 2.127 20 30 DEEDMP C=CCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276043107 1091474148 /nfs/dbraw/zinc/47/41/48/1091474148.db2.gz TUTOTQMKSBOQOA-MOPGFXCFSA-N 2 1 323.525 2.460 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001275233021 1091626025 /nfs/dbraw/zinc/62/60/25/1091626025.db2.gz KYKWMXNEDBXKSK-WLYUNCDWSA-N 2 1 304.438 2.067 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110413 1093801838 /nfs/dbraw/zinc/80/18/38/1093801838.db2.gz JWIWEMXPBTYXRW-LJQANCHMSA-N 2 1 324.428 2.477 20 30 DEEDMP C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274110413 1093801845 /nfs/dbraw/zinc/80/18/45/1093801845.db2.gz JWIWEMXPBTYXRW-LJQANCHMSA-N 2 1 324.428 2.477 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491734567 1140290972 /nfs/dbraw/zinc/29/09/72/1140290972.db2.gz DZOXJYLXAMLZAN-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001319021198 1140491689 /nfs/dbraw/zinc/49/16/89/1140491689.db2.gz UWPWTGKWDSMRBH-HZPDHXFCSA-N 2 1 316.449 2.308 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001319592127 1140621463 /nfs/dbraw/zinc/62/14/63/1140621463.db2.gz HGZTWIZBNBYVSO-RDJZCZTQSA-N 2 1 303.450 2.302 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001319659893 1140647001 /nfs/dbraw/zinc/64/70/01/1140647001.db2.gz OPABEXYZHWIJSF-RDJZCZTQSA-N 2 1 307.482 2.169 20 30 DEEDMP CCCCCCCC[C@H](O)C[NH2+]CCCC[NH+]1CCNCC1 ZINC001245973940 1140840068 /nfs/dbraw/zinc/84/00/68/1140840068.db2.gz LRHNIRVOAZSSMT-SFHVURJKSA-N 2 1 313.530 2.373 20 30 DEEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065767 1140856826 /nfs/dbraw/zinc/85/68/26/1140856826.db2.gz QOFLHGNWNCWQTB-KRWDZBQOSA-N 2 1 300.446 2.451 20 30 DEEDMP N#Cc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246440939 1140899383 /nfs/dbraw/zinc/89/93/83/1140899383.db2.gz GPLUDDLGSBHXNM-IYARVYRRSA-N 3 1 312.461 2.382 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001278449693 1140914864 /nfs/dbraw/zinc/91/48/64/1140914864.db2.gz HAZSONCIHCYFSA-SFHVURJKSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708572 1141040122 /nfs/dbraw/zinc/04/01/22/1141040122.db2.gz QETFJXALKFQBKP-RZRMAFQFSA-N 2 1 317.477 2.303 20 30 DEEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246723999 1141047030 /nfs/dbraw/zinc/04/70/30/1141047030.db2.gz SVQGRYIISBQRIB-VUXNLXKLSA-N 2 1 320.477 2.343 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001322345655 1141537395 /nfs/dbraw/zinc/53/73/95/1141537395.db2.gz MCSPHUWSJSTTSC-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001323287749 1141837648 /nfs/dbraw/zinc/83/76/48/1141837648.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001323287749 1141837649 /nfs/dbraw/zinc/83/76/49/1141837649.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001323287749 1141837650 /nfs/dbraw/zinc/83/76/50/1141837650.db2.gz UHIDDWFEUBTWHA-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001323642354 1141873056 /nfs/dbraw/zinc/87/30/56/1141873056.db2.gz MGRBFFKOKDPHAU-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001324376357 1142066435 /nfs/dbraw/zinc/06/64/35/1142066435.db2.gz FCEMHSIXCDEXFE-WMZOPIPTSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324470900 1142083822 /nfs/dbraw/zinc/08/38/22/1142083822.db2.gz TXWAOXADEZVQBL-ZWKOTPCHSA-N 2 1 319.493 2.147 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324556754 1142099091 /nfs/dbraw/zinc/09/90/91/1142099091.db2.gz LLBSSEJJTLDFEX-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001278611344 1142345355 /nfs/dbraw/zinc/34/53/55/1142345355.db2.gz WKIUXHZSGSQLIH-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252481604 1142730360 /nfs/dbraw/zinc/73/03/60/1142730360.db2.gz DJBWFRXDMWQHSZ-YTQUADARSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001252481604 1142730367 /nfs/dbraw/zinc/73/03/67/1142730367.db2.gz DJBWFRXDMWQHSZ-YTQUADARSA-N 2 1 318.461 2.193 20 30 DEEDMP C=CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001252483204 1142731461 /nfs/dbraw/zinc/73/14/61/1142731461.db2.gz RLVWGWOJPQRXNW-RBUKOAKNSA-N 2 1 318.461 2.052 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693562 1142840366 /nfs/dbraw/zinc/84/03/66/1142840366.db2.gz MXZBMUSGIOVFAW-SFHVURJKSA-N 2 1 307.482 2.267 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582414 1142882436 /nfs/dbraw/zinc/88/24/36/1142882436.db2.gz OMBMKGAORPOONB-WNHJNPCNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582414 1142882437 /nfs/dbraw/zinc/88/24/37/1142882437.db2.gz OMBMKGAORPOONB-WNHJNPCNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582414 1142882440 /nfs/dbraw/zinc/88/24/40/1142882440.db2.gz OMBMKGAORPOONB-WNHJNPCNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001253582414 1142882441 /nfs/dbraw/zinc/88/24/41/1142882441.db2.gz OMBMKGAORPOONB-WNHJNPCNSA-N 2 1 315.461 2.161 20 30 DEEDMP C=CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001278907964 1143826401 /nfs/dbraw/zinc/82/64/01/1143826401.db2.gz KZTXEBBXHORFBI-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001278907964 1143826402 /nfs/dbraw/zinc/82/64/02/1143826402.db2.gz KZTXEBBXHORFBI-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001278907964 1143826405 /nfs/dbraw/zinc/82/64/05/1143826405.db2.gz KZTXEBBXHORFBI-DLBZAZTESA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001263865572 1144415671 /nfs/dbraw/zinc/41/56/71/1144415671.db2.gz NFSRDIUDAZBNCG-BRWVUGGUSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001263917281 1144423350 /nfs/dbraw/zinc/42/33/50/1144423350.db2.gz YTAGUXBXHWKEHL-RCCFBDPRSA-N 2 1 319.493 2.006 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC)CC1 ZINC001264187182 1144501568 /nfs/dbraw/zinc/50/15/68/1144501568.db2.gz IMJVPOVOBQSKMR-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001264549920 1144564195 /nfs/dbraw/zinc/56/41/95/1144564195.db2.gz WJZFXSVNIYCDIH-IKGGRYGDSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001265306046 1144689278 /nfs/dbraw/zinc/68/92/78/1144689278.db2.gz ISTGIHVYJHMEHE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265540321 1144710469 /nfs/dbraw/zinc/71/04/69/1144710469.db2.gz NACJWDPFAYITBD-ZOFXXKQRSA-N 2 1 307.482 2.308 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265656283 1144723702 /nfs/dbraw/zinc/72/37/02/1144723702.db2.gz ZHJKIMXRVMLGNQ-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001265670285 1144725260 /nfs/dbraw/zinc/72/52/60/1144725260.db2.gz MXQZGNSEDOFRRI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001265696834 1144729763 /nfs/dbraw/zinc/72/97/63/1144729763.db2.gz KIZICMVFXGNTJG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279410523 1144822116 /nfs/dbraw/zinc/82/21/16/1144822116.db2.gz ZIAUOTCASMFMJZ-WNRNVDISSA-N 2 1 321.509 2.318 20 30 DEEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001280354304 1144836298 /nfs/dbraw/zinc/83/62/98/1144836298.db2.gz MSLOHPRVEIPNMS-QAPCUYQASA-N 2 1 313.445 2.071 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001280374200 1144837244 /nfs/dbraw/zinc/83/72/44/1144837244.db2.gz OHRCKBKMIFEPRO-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001281684658 1144907333 /nfs/dbraw/zinc/90/73/33/1144907333.db2.gz VDELDPLJAUJMPC-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001281931968 1144921004 /nfs/dbraw/zinc/92/10/04/1144921004.db2.gz HEZYXBVAWFGNBY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931968 1144921005 /nfs/dbraw/zinc/92/10/05/1144921005.db2.gz HEZYXBVAWFGNBY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931968 1144921006 /nfs/dbraw/zinc/92/10/06/1144921006.db2.gz HEZYXBVAWFGNBY-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001282966011 1145218090 /nfs/dbraw/zinc/21/80/90/1145218090.db2.gz CXKMZFGCNHQUFZ-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001282966011 1145218098 /nfs/dbraw/zinc/21/80/98/1145218098.db2.gz CXKMZFGCNHQUFZ-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001284130211 1145804721 /nfs/dbraw/zinc/80/47/21/1145804721.db2.gz GUCRGMQPMLTMDS-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001284130211 1145804722 /nfs/dbraw/zinc/80/47/22/1145804722.db2.gz GUCRGMQPMLTMDS-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001284130211 1145804723 /nfs/dbraw/zinc/80/47/23/1145804723.db2.gz GUCRGMQPMLTMDS-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001491933848 1147006211 /nfs/dbraw/zinc/00/62/11/1147006211.db2.gz RYHSPLKVFRWVBP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491933848 1147006216 /nfs/dbraw/zinc/00/62/16/1147006216.db2.gz RYHSPLKVFRWVBP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491933848 1147006218 /nfs/dbraw/zinc/00/62/18/1147006218.db2.gz RYHSPLKVFRWVBP-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001316983641 1147643823 /nfs/dbraw/zinc/64/38/23/1147643823.db2.gz TZAXUKAGQDCKBU-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317024053 1147649608 /nfs/dbraw/zinc/64/96/08/1147649608.db2.gz CYGNSUGGWCGNTK-IRXDYDNUSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317139499 1147665310 /nfs/dbraw/zinc/66/53/10/1147665310.db2.gz JMLOGMOXUHGKOO-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317139499 1147665311 /nfs/dbraw/zinc/66/53/11/1147665311.db2.gz JMLOGMOXUHGKOO-QGZVFWFLSA-N 2 1 318.465 2.376 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001317204093 1147676009 /nfs/dbraw/zinc/67/60/09/1147676009.db2.gz ATKTUXHJPYFZLA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204093 1147676011 /nfs/dbraw/zinc/67/60/11/1147676011.db2.gz ATKTUXHJPYFZLA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001317204093 1147676013 /nfs/dbraw/zinc/67/60/13/1147676013.db2.gz ATKTUXHJPYFZLA-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317218857 1147678926 /nfs/dbraw/zinc/67/89/26/1147678926.db2.gz YEMHDSOSULOSNR-RDHHWEPZSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317376191 1147698906 /nfs/dbraw/zinc/69/89/06/1147698906.db2.gz NHRMBHVQVCRDTF-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317376516 1147699010 /nfs/dbraw/zinc/69/90/10/1147699010.db2.gz PQFGQMGEKQDLBH-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376516 1147699011 /nfs/dbraw/zinc/69/90/11/1147699011.db2.gz PQFGQMGEKQDLBH-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317376516 1147699012 /nfs/dbraw/zinc/69/90/12/1147699012.db2.gz PQFGQMGEKQDLBH-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317382535 1147700001 /nfs/dbraw/zinc/70/00/01/1147700001.db2.gz YOCGYGXBQQHPCF-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317509298 1147717843 /nfs/dbraw/zinc/71/78/43/1147717843.db2.gz HTUVVFBDEVIOQJ-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001317869868 1147759402 /nfs/dbraw/zinc/75/94/02/1147759402.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317869868 1147759403 /nfs/dbraw/zinc/75/94/03/1147759403.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001317869868 1147759405 /nfs/dbraw/zinc/75/94/05/1147759405.db2.gz ZKHCYQUIRGHKIS-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001317879929 1147760056 /nfs/dbraw/zinc/76/00/56/1147760056.db2.gz NJGGQZXDASTGPT-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001317882797 1147760323 /nfs/dbraw/zinc/76/03/23/1147760323.db2.gz TVLPKOGLABGXGJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317882797 1147760325 /nfs/dbraw/zinc/76/03/25/1147760325.db2.gz TVLPKOGLABGXGJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317882797 1147760327 /nfs/dbraw/zinc/76/03/27/1147760327.db2.gz TVLPKOGLABGXGJ-SFHVURJKSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827106 1147850371 /nfs/dbraw/zinc/85/03/71/1147850371.db2.gz USKXJIPMCRKTNQ-CRAIPNDOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001324897599 1147856505 /nfs/dbraw/zinc/85/65/05/1147856505.db2.gz PGKMJIJAVIBPKO-INIZCTEOSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324943366 1147860509 /nfs/dbraw/zinc/86/05/09/1147860509.db2.gz GWVDSKOZPULWNP-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001324943366 1147860510 /nfs/dbraw/zinc/86/05/10/1147860510.db2.gz GWVDSKOZPULWNP-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001326436555 1148099743 /nfs/dbraw/zinc/09/97/43/1148099743.db2.gz DTIAYAHWBOEQKB-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001326436555 1148099750 /nfs/dbraw/zinc/09/97/50/1148099750.db2.gz DTIAYAHWBOEQKB-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181417661 199293403 /nfs/dbraw/zinc/29/34/03/199293403.db2.gz QVXVKQCBAQMXNY-UHFFFAOYSA-N 2 1 312.461 2.206 20 30 DEEDMP C[N@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000266969165 529853341 /nfs/dbraw/zinc/85/33/41/529853341.db2.gz DAQZHDSWUZFJLD-UHFFFAOYSA-N 2 1 314.355 2.204 20 30 DEEDMP C[N@@H+](CCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000266969165 529853342 /nfs/dbraw/zinc/85/33/42/529853342.db2.gz DAQZHDSWUZFJLD-UHFFFAOYSA-N 2 1 314.355 2.204 20 30 DEEDMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccn1 ZINC000329492805 539921505 /nfs/dbraw/zinc/92/15/05/539921505.db2.gz ZUKKNTOINOBMIC-ZDUSSCGKSA-N 2 1 302.422 2.316 20 30 DEEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174337579 198321063 /nfs/dbraw/zinc/32/10/63/198321063.db2.gz FRPQTBSCWGLWTI-UHFFFAOYSA-N 2 1 317.433 2.157 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000068105073 354797722 /nfs/dbraw/zinc/79/77/22/354797722.db2.gz JOAVERWMZYQMSA-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000602561164 360433444 /nfs/dbraw/zinc/43/34/44/360433444.db2.gz WKMHQAONWHMVDT-AEFFLSMTSA-N 2 1 301.434 2.153 20 30 DEEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000602561164 360433453 /nfs/dbraw/zinc/43/34/53/360433453.db2.gz WKMHQAONWHMVDT-AEFFLSMTSA-N 2 1 301.434 2.153 20 30 DEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000602634979 360470046 /nfs/dbraw/zinc/47/00/46/360470046.db2.gz VIIOUBGFDJPUST-IAGOWNOFSA-N 2 1 323.481 2.176 20 30 DEEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000602634979 360470051 /nfs/dbraw/zinc/47/00/51/360470051.db2.gz VIIOUBGFDJPUST-IAGOWNOFSA-N 2 1 323.481 2.176 20 30 DEEDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000282497296 217041892 /nfs/dbraw/zinc/04/18/92/217041892.db2.gz XWQAODWIYJCCJA-OAHLLOKOSA-N 2 1 300.450 2.235 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000106271730 194193451 /nfs/dbraw/zinc/19/34/51/194193451.db2.gz YLRIQUDSEBNEHO-OAHLLOKOSA-N 2 1 310.486 2.056 20 30 DEEDMP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626219 133337779 /nfs/dbraw/zinc/33/77/79/133337779.db2.gz MBBYGAALUVBOET-OAHLLOKOSA-N 2 1 318.490 2.220 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123694432 402141886 /nfs/dbraw/zinc/14/18/86/402141886.db2.gz OHBQFFHKRZXVLT-GFCCVEGCSA-N 2 1 309.483 2.155 20 30 DEEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000191396447 402666206 /nfs/dbraw/zinc/66/62/06/402666206.db2.gz RJGJWFROGAWMHO-UHFFFAOYSA-N 2 1 314.477 2.406 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)N1 ZINC000262635718 402728752 /nfs/dbraw/zinc/72/87/52/402728752.db2.gz GTAYNNCRUPKYRE-HUUCEWRRSA-N 2 1 300.450 2.356 20 30 DEEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000263266112 402752362 /nfs/dbraw/zinc/75/23/62/402752362.db2.gz VGDPVHQOONHNIE-LSDHHAIUSA-N 2 1 304.438 2.463 20 30 DEEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000271908215 402885239 /nfs/dbraw/zinc/88/52/39/402885239.db2.gz XFWZYIVHFSQCRH-MAUKXSAKSA-N 2 1 301.434 2.446 20 30 DEEDMP C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276500202 403181444 /nfs/dbraw/zinc/18/14/44/403181444.db2.gz WDKZGAUVNIORFW-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276500202 403181445 /nfs/dbraw/zinc/18/14/45/403181445.db2.gz WDKZGAUVNIORFW-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CCC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276500202 403181447 /nfs/dbraw/zinc/18/14/47/403181447.db2.gz WDKZGAUVNIORFW-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271216558 403280438 /nfs/dbraw/zinc/28/04/38/403280438.db2.gz IVRVSWMDQUBBPR-IBGZPJMESA-N 2 1 312.461 2.160 20 30 DEEDMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271216558 403280439 /nfs/dbraw/zinc/28/04/39/403280439.db2.gz IVRVSWMDQUBBPR-IBGZPJMESA-N 2 1 312.461 2.160 20 30 DEEDMP C=CCN(Cc1cccs1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000346315511 403583930 /nfs/dbraw/zinc/58/39/30/403583930.db2.gz SRFQRNYRLYCAGW-OAHLLOKOSA-N 2 1 321.490 2.289 20 30 DEEDMP CCCC(N)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289405495 403947495 /nfs/dbraw/zinc/94/74/95/403947495.db2.gz ORPAJPLCIWWKFQ-INIZCTEOSA-N 2 1 305.422 2.366 20 30 DEEDMP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290636050 404250679 /nfs/dbraw/zinc/25/06/79/404250679.db2.gz LQUNQQUXMWZSEV-KRWDZBQOSA-N 2 1 300.450 2.379 20 30 DEEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCCC(C)(C)C#N)CC2)C1 ZINC000364353873 404363486 /nfs/dbraw/zinc/36/34/86/404363486.db2.gz NKKGRGMWASYHEA-KRWDZBQOSA-N 2 1 306.498 2.418 20 30 DEEDMP Cc1ncc2n1CC[C@H](C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329784019 404451451 /nfs/dbraw/zinc/45/14/51/404451451.db2.gz OYWIJPJYANZTLU-KGLIPLIRSA-N 2 1 302.422 2.195 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000329784019 404451458 /nfs/dbraw/zinc/45/14/58/404451458.db2.gz OYWIJPJYANZTLU-KGLIPLIRSA-N 2 1 302.422 2.195 20 30 DEEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000329784019 404451465 /nfs/dbraw/zinc/45/14/65/404451465.db2.gz OYWIJPJYANZTLU-KGLIPLIRSA-N 2 1 302.422 2.195 20 30 DEEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000365403467 404648542 /nfs/dbraw/zinc/64/85/42/404648542.db2.gz MXASCZMJXZMSJJ-CQSZACIVSA-N 2 1 320.462 2.364 20 30 DEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000365403467 404648548 /nfs/dbraw/zinc/64/85/48/404648548.db2.gz MXASCZMJXZMSJJ-CQSZACIVSA-N 2 1 320.462 2.364 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414777524 404732664 /nfs/dbraw/zinc/73/26/64/404732664.db2.gz FUUZAVSEJFAXJF-QGZVFWFLSA-N 2 1 316.445 2.439 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000357753984 404743086 /nfs/dbraw/zinc/74/30/86/404743086.db2.gz YBHVYEUTVYVRBV-INIZCTEOSA-N 2 1 324.513 2.447 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000435760453 405011922 /nfs/dbraw/zinc/01/19/22/405011922.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000435760453 405011929 /nfs/dbraw/zinc/01/19/29/405011929.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 2 1 318.461 2.038 20 30 DEEDMP C=CCc1ccccc1OC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000435760453 405011933 /nfs/dbraw/zinc/01/19/33/405011933.db2.gz CAMPXXMLSSPWIO-FUHWJXTLSA-N 2 1 318.461 2.038 20 30 DEEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000421337934 405465427 /nfs/dbraw/zinc/46/54/27/405465427.db2.gz BHXHUWYDQYSNPK-HNNXBMFYSA-N 2 1 317.408 2.288 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000491120716 406530584 /nfs/dbraw/zinc/53/05/84/406530584.db2.gz MYNGTBNUEFSPFG-IBGZPJMESA-N 2 1 313.445 2.025 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000491120716 406530590 /nfs/dbraw/zinc/53/05/90/406530590.db2.gz MYNGTBNUEFSPFG-IBGZPJMESA-N 2 1 313.445 2.025 20 30 DEEDMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000572494422 406681378 /nfs/dbraw/zinc/68/13/78/406681378.db2.gz VNKWNVCCSZKOAQ-UHFFFAOYSA-N 2 1 312.417 2.373 20 30 DEEDMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000572494422 406681384 /nfs/dbraw/zinc/68/13/84/406681384.db2.gz VNKWNVCCSZKOAQ-UHFFFAOYSA-N 2 1 312.417 2.373 20 30 DEEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1=[NH+]CCN1C ZINC000262676681 225281585 /nfs/dbraw/zinc/28/15/85/225281585.db2.gz UFSYVSCHQXIXDJ-HNNXBMFYSA-N 2 1 300.450 2.452 20 30 DEEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657884359 425413882 /nfs/dbraw/zinc/41/38/82/425413882.db2.gz RQAGEKXQXCSMSD-CEXWTWQISA-N 2 1 321.509 2.117 20 30 DEEDMP C=CC[C@]1(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)CCC[NH2+]1 ZINC000662661479 425706438 /nfs/dbraw/zinc/70/64/38/425706438.db2.gz QHXZOMSRJYZUDH-MRXNPFEDSA-N 2 1 320.462 2.158 20 30 DEEDMP C=CC[C@]1(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)CCC[NH2+]1 ZINC000662661479 425706443 /nfs/dbraw/zinc/70/64/43/425706443.db2.gz QHXZOMSRJYZUDH-MRXNPFEDSA-N 2 1 320.462 2.158 20 30 DEEDMP C=CC[C@@]1(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)CCC[NH2+]1 ZINC000662661478 425706662 /nfs/dbraw/zinc/70/66/62/425706662.db2.gz QHXZOMSRJYZUDH-INIZCTEOSA-N 2 1 320.462 2.158 20 30 DEEDMP C=CC[C@@]1(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)CCC[NH2+]1 ZINC000662661478 425706664 /nfs/dbraw/zinc/70/66/64/425706664.db2.gz QHXZOMSRJYZUDH-INIZCTEOSA-N 2 1 320.462 2.158 20 30 DEEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694696 425714502 /nfs/dbraw/zinc/71/45/02/425714502.db2.gz BGYOJQGKEYPIAY-CRAIPNDOSA-N 2 1 307.482 2.311 20 30 DEEDMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000118532884 276387700 /nfs/dbraw/zinc/38/77/00/276387700.db2.gz BKNYTWVBMMXLFW-LPHOPBHVSA-N 2 1 312.461 2.331 20 30 DEEDMP COCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000264080590 277218465 /nfs/dbraw/zinc/21/84/65/277218465.db2.gz IGKKHQGGSRNVBW-HNNXBMFYSA-N 2 1 318.465 2.112 20 30 DEEDMP CCN(CC)C(=[NH2+])NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000264109357 279065596 /nfs/dbraw/zinc/06/55/96/279065596.db2.gz QKNBVYPVFAAQGX-UHFFFAOYSA-N 2 1 302.466 2.480 20 30 DEEDMP CCN(CC)C(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000264109357 279065597 /nfs/dbraw/zinc/06/55/97/279065597.db2.gz QKNBVYPVFAAQGX-UHFFFAOYSA-N 2 1 302.466 2.480 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971131 782089245 /nfs/dbraw/zinc/08/92/45/782089245.db2.gz DMDZTXZAKLBEGG-QAPCUYQASA-N 2 1 319.493 2.264 20 30 DEEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000582660202 337117185 /nfs/dbraw/zinc/11/71/85/337117185.db2.gz OUXYTJZNFPSKBZ-YJNKEBTESA-N 2 1 314.433 2.231 20 30 DEEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001330210362 1149070296 /nfs/dbraw/zinc/07/02/96/1149070296.db2.gz OWJIPVVOXPEJGF-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001330210362 1149070303 /nfs/dbraw/zinc/07/03/03/1149070303.db2.gz OWJIPVVOXPEJGF-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001330210362 1149070309 /nfs/dbraw/zinc/07/03/09/1149070309.db2.gz OWJIPVVOXPEJGF-INIZCTEOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264144733 526574674 /nfs/dbraw/zinc/57/46/74/526574674.db2.gz XOKKGXDGBNYQLS-INIZCTEOSA-N 2 1 316.449 2.313 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000337638160 526591330 /nfs/dbraw/zinc/59/13/30/526591330.db2.gz DFDCDCKPHUOBMB-MRXNPFEDSA-N 2 1 322.497 2.058 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294926700 526826394 /nfs/dbraw/zinc/82/63/94/526826394.db2.gz HETLWUKQOYDJDL-HNNXBMFYSA-N 2 1 303.406 2.461 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294926700 526826397 /nfs/dbraw/zinc/82/63/97/526826397.db2.gz HETLWUKQOYDJDL-HNNXBMFYSA-N 2 1 303.406 2.461 20 30 DEEDMP C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC000262231525 527195094 /nfs/dbraw/zinc/19/50/94/527195094.db2.gz ABOFHKGELCKRBL-JKSUJKDBSA-N 2 1 318.852 2.403 20 30 DEEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000341640745 527937851 /nfs/dbraw/zinc/93/78/51/527937851.db2.gz OQRWBSKXXOKNLN-DAYGRLMNSA-N 2 1 324.513 2.385 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)ccc1OC ZINC000264109268 529073708 /nfs/dbraw/zinc/07/37/08/529073708.db2.gz QFVPNOPMPWXZIC-CQSZACIVSA-N 2 1 324.856 2.237 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000264114837 529075006 /nfs/dbraw/zinc/07/50/06/529075006.db2.gz SBYHWBQKBNKDOQ-LLVKDONJSA-N 2 1 314.886 2.333 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264093728 529349758 /nfs/dbraw/zinc/34/97/58/529349758.db2.gz LXQQDBBPSZGZLD-HUUCEWRRSA-N 2 1 318.465 2.110 20 30 DEEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264093728 529349761 /nfs/dbraw/zinc/34/97/61/529349761.db2.gz LXQQDBBPSZGZLD-HUUCEWRRSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001327541012 1148582253 /nfs/dbraw/zinc/58/22/53/1148582253.db2.gz LVPXDCGCSYBWQB-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001327541012 1148582266 /nfs/dbraw/zinc/58/22/66/1148582266.db2.gz LVPXDCGCSYBWQB-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001327541012 1148582277 /nfs/dbraw/zinc/58/22/77/1148582277.db2.gz LVPXDCGCSYBWQB-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027648519 634383216 /nfs/dbraw/zinc/38/32/16/634383216.db2.gz XAWNKAWIMHHPRT-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027648519 634383218 /nfs/dbraw/zinc/38/32/18/634383218.db2.gz XAWNKAWIMHHPRT-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027648519 634383224 /nfs/dbraw/zinc/38/32/24/634383224.db2.gz XAWNKAWIMHHPRT-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326398 623403235 /nfs/dbraw/zinc/40/32/35/623403235.db2.gz RMMKRMOEEBJKKU-CRAIPNDOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719959 623641879 /nfs/dbraw/zinc/64/18/79/623641879.db2.gz XNMFBHDLQJMMFN-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735436 624018155 /nfs/dbraw/zinc/01/81/55/624018155.db2.gz FLRLTQXISJZMFN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735436 624018157 /nfs/dbraw/zinc/01/81/57/624018157.db2.gz FLRLTQXISJZMFN-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022588072 624763888 /nfs/dbraw/zinc/76/38/88/624763888.db2.gz CILBHKVFFZYGAG-HLLBOEOZSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000972479151 625114011 /nfs/dbraw/zinc/11/40/11/625114011.db2.gz RYAMQONVJSVFMG-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551097 625230649 /nfs/dbraw/zinc/23/06/49/625230649.db2.gz GFQLCCRKIPMCGK-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023411007 625258327 /nfs/dbraw/zinc/25/83/27/625258327.db2.gz YUUUYGWVYVLPAF-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411007 625258337 /nfs/dbraw/zinc/25/83/37/625258337.db2.gz YUUUYGWVYVLPAF-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023411007 625258345 /nfs/dbraw/zinc/25/83/45/625258345.db2.gz YUUUYGWVYVLPAF-MSOLQXFVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692364 634446706 /nfs/dbraw/zinc/44/67/06/634446706.db2.gz GUMNMOANBSCKLZ-KRWDZBQOSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696675 634446829 /nfs/dbraw/zinc/44/68/29/634446829.db2.gz QPRCPVJJTVRAFM-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696675 634446833 /nfs/dbraw/zinc/44/68/33/634446833.db2.gz QPRCPVJJTVRAFM-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023455924 625277748 /nfs/dbraw/zinc/27/77/48/625277748.db2.gz UGHSWEDUIWCLEW-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455924 625277753 /nfs/dbraw/zinc/27/77/53/625277753.db2.gz UGHSWEDUIWCLEW-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023455924 625277757 /nfs/dbraw/zinc/27/77/57/625277757.db2.gz UGHSWEDUIWCLEW-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522612 625837273 /nfs/dbraw/zinc/83/72/73/625837273.db2.gz HCZXOCYXVWHREC-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522612 625837274 /nfs/dbraw/zinc/83/72/74/625837274.db2.gz HCZXOCYXVWHREC-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522612 625837275 /nfs/dbraw/zinc/83/72/75/625837275.db2.gz HCZXOCYXVWHREC-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522612 625837277 /nfs/dbraw/zinc/83/72/77/625837277.db2.gz HCZXOCYXVWHREC-ZWKOTPCHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024521056 625841850 /nfs/dbraw/zinc/84/18/50/625841850.db2.gz OJLLWWCRTLROCK-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024613947 625930331 /nfs/dbraw/zinc/93/03/31/625930331.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613947 625930336 /nfs/dbraw/zinc/93/03/36/625930336.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613947 625930344 /nfs/dbraw/zinc/93/03/44/625930344.db2.gz DVBXVRFCADQDSP-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999162815 634502956 /nfs/dbraw/zinc/50/29/56/634502956.db2.gz MIWUPYXJDGHPSN-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999351104 634569848 /nfs/dbraw/zinc/56/98/48/634569848.db2.gz CKHULEDUWXGAOB-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995888359 633137789 /nfs/dbraw/zinc/13/77/89/633137789.db2.gz XDAVLJHBIVDRPF-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974649486 633207170 /nfs/dbraw/zinc/20/71/70/633207170.db2.gz GVVKJKSLMIXKTJ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649486 633207171 /nfs/dbraw/zinc/20/71/71/633207171.db2.gz GVVKJKSLMIXKTJ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974649486 633207176 /nfs/dbraw/zinc/20/71/76/633207176.db2.gz GVVKJKSLMIXKTJ-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974762510 633296000 /nfs/dbraw/zinc/29/60/00/633296000.db2.gz ZTVRPSMOKBKNRO-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762510 633296007 /nfs/dbraw/zinc/29/60/07/633296007.db2.gz ZTVRPSMOKBKNRO-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762510 633296018 /nfs/dbraw/zinc/29/60/18/633296018.db2.gz ZTVRPSMOKBKNRO-HOTGVXAUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000996901898 633518470 /nfs/dbraw/zinc/51/84/70/633518470.db2.gz BPANRELUUXOTER-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000997060811 633565759 /nfs/dbraw/zinc/56/57/59/633565759.db2.gz PWAPTVIWBXQVET-UHFFFAOYSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440274 633792539 /nfs/dbraw/zinc/79/25/39/633792539.db2.gz BJFAESDWIVGDAB-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440274 633792543 /nfs/dbraw/zinc/79/25/43/633792543.db2.gz BJFAESDWIVGDAB-CQSZACIVSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440273 633792695 /nfs/dbraw/zinc/79/26/95/633792695.db2.gz BJFAESDWIVGDAB-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001027440273 633792700 /nfs/dbraw/zinc/79/27/00/633792700.db2.gz BJFAESDWIVGDAB-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473154 633855956 /nfs/dbraw/zinc/85/59/56/633855956.db2.gz GECMPMQGYOQGRR-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473154 633855961 /nfs/dbraw/zinc/85/59/61/633855961.db2.gz GECMPMQGYOQGRR-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473154 633855966 /nfs/dbraw/zinc/85/59/66/633855966.db2.gz GECMPMQGYOQGRR-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977420409 633978578 /nfs/dbraw/zinc/97/85/78/633978578.db2.gz ITGQVMDVRJCOJK-INIZCTEOSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102777 634140373 /nfs/dbraw/zinc/14/03/73/634140373.db2.gz OHRVTIQAQSANOI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998102777 634140379 /nfs/dbraw/zinc/14/03/79/634140379.db2.gz OHRVTIQAQSANOI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000998102777 634140382 /nfs/dbraw/zinc/14/03/82/634140382.db2.gz OHRVTIQAQSANOI-MSOLQXFVSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562488 634153028 /nfs/dbraw/zinc/15/30/28/634153028.db2.gz PUMOYAAYIHEHPY-HUUCEWRRSA-N 2 1 315.889 2.248 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562488 634153032 /nfs/dbraw/zinc/15/30/32/634153032.db2.gz PUMOYAAYIHEHPY-HUUCEWRRSA-N 2 1 315.889 2.248 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998187179 634162956 /nfs/dbraw/zinc/16/29/56/634162956.db2.gz DSCIQBBMSIRNRK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998187179 634162959 /nfs/dbraw/zinc/16/29/59/634162959.db2.gz DSCIQBBMSIRNRK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998187179 634162962 /nfs/dbraw/zinc/16/29/62/634162962.db2.gz DSCIQBBMSIRNRK-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978149522 634226556 /nfs/dbraw/zinc/22/65/56/634226556.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978149522 634226564 /nfs/dbraw/zinc/22/65/64/634226564.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978149522 634226570 /nfs/dbraw/zinc/22/65/70/634226570.db2.gz RLXHZIHSFODCIU-ZJPYXAASSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244786 634909309 /nfs/dbraw/zinc/90/93/09/634909309.db2.gz YXRBJMDHFWPJDC-OKZBNKHCSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027925248 634980204 /nfs/dbraw/zinc/98/02/04/634980204.db2.gz QIWMGVOPAWWSSO-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925248 634980205 /nfs/dbraw/zinc/98/02/05/634980205.db2.gz QIWMGVOPAWWSSO-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027925248 634980207 /nfs/dbraw/zinc/98/02/07/634980207.db2.gz QIWMGVOPAWWSSO-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000704205 635281331 /nfs/dbraw/zinc/28/13/31/635281331.db2.gz BMNPTFOLATZKSR-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000704205 635281335 /nfs/dbraw/zinc/28/13/35/635281335.db2.gz BMNPTFOLATZKSR-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000704205 635281341 /nfs/dbraw/zinc/28/13/41/635281341.db2.gz BMNPTFOLATZKSR-DLBZAZTESA-N 2 1 305.466 2.041 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001001010395 635378507 /nfs/dbraw/zinc/37/85/07/635378507.db2.gz TUYVVFHDOPBMHJ-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001001565856 635527893 /nfs/dbraw/zinc/52/78/93/635527893.db2.gz UAHUPDOMMXXSPM-KRWDZBQOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001923962 635578120 /nfs/dbraw/zinc/57/81/20/635578120.db2.gz JKRZEDZCYKMZGE-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964617 635774258 /nfs/dbraw/zinc/77/42/58/635774258.db2.gz LOLNYEURBQHTEJ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964617 635774260 /nfs/dbraw/zinc/77/42/60/635774260.db2.gz LOLNYEURBQHTEJ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964617 635774262 /nfs/dbraw/zinc/77/42/62/635774262.db2.gz LOLNYEURBQHTEJ-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230717 635925408 /nfs/dbraw/zinc/92/54/08/635925408.db2.gz QRSBESZDGNNNLG-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935568 /nfs/dbraw/zinc/93/55/68/635935568.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935570 /nfs/dbraw/zinc/93/55/70/635935570.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982275934 635935572 /nfs/dbraw/zinc/93/55/72/635935572.db2.gz MWGAOLZZAWEUHM-YTQUADARSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308140 635961262 /nfs/dbraw/zinc/96/12/62/635961262.db2.gz QRYRKOAOALAZDG-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308140 635961263 /nfs/dbraw/zinc/96/12/63/635961263.db2.gz QRYRKOAOALAZDG-YTQUADARSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776070 636051869 /nfs/dbraw/zinc/05/18/69/636051869.db2.gz HJVMGZZQEOIRNP-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(C#N)ccc1Br ZINC000922274365 636056905 /nfs/dbraw/zinc/05/69/05/636056905.db2.gz XPQFJLFJBSRIRR-UHFFFAOYSA-N 2 1 319.206 2.387 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028333039 636133609 /nfs/dbraw/zinc/13/36/09/636133609.db2.gz IGLXXYGZEOQQSG-QGZVFWFLSA-N 2 1 301.434 2.128 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000922384561 636151172 /nfs/dbraw/zinc/15/11/72/636151172.db2.gz DFXUSAMUWSPCJC-NCOADZHNSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028552161 636337514 /nfs/dbraw/zinc/33/75/14/636337514.db2.gz IDHAYPIYLPGXMY-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552161 636337518 /nfs/dbraw/zinc/33/75/18/636337518.db2.gz IDHAYPIYLPGXMY-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028552161 636337521 /nfs/dbraw/zinc/33/75/21/636337521.db2.gz IDHAYPIYLPGXMY-YESZJQIVSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845382 636784431 /nfs/dbraw/zinc/78/44/31/636784431.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845382 636784438 /nfs/dbraw/zinc/78/44/38/636784438.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845382 636784440 /nfs/dbraw/zinc/78/44/40/636784440.db2.gz JWGQBSLRBMGLID-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029003282 636945659 /nfs/dbraw/zinc/94/56/59/636945659.db2.gz KHRNPPCLVQMMBN-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001029003282 636945663 /nfs/dbraw/zinc/94/56/63/636945663.db2.gz KHRNPPCLVQMMBN-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003282 636945670 /nfs/dbraw/zinc/94/56/70/636945670.db2.gz KHRNPPCLVQMMBN-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001029003282 636945672 /nfs/dbraw/zinc/94/56/72/636945672.db2.gz KHRNPPCLVQMMBN-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C#CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CSC1 ZINC000895813571 638211431 /nfs/dbraw/zinc/21/14/31/638211431.db2.gz DABRIOSVAJIFPV-UHFFFAOYSA-N 2 1 304.459 2.178 20 30 DEEDMP C#CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CSC1 ZINC000895813571 638211435 /nfs/dbraw/zinc/21/14/35/638211435.db2.gz DABRIOSVAJIFPV-UHFFFAOYSA-N 2 1 304.459 2.178 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985682979 639582761 /nfs/dbraw/zinc/58/27/61/639582761.db2.gz PBDZRNURBGRRQS-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985750501 639614814 /nfs/dbraw/zinc/61/48/14/639614814.db2.gz GJVYZYTZZIPVGD-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985750501 639614817 /nfs/dbraw/zinc/61/48/17/639614817.db2.gz GJVYZYTZZIPVGD-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985750501 639614825 /nfs/dbraw/zinc/61/48/25/639614825.db2.gz GJVYZYTZZIPVGD-CQSZACIVSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000985801225 639642296 /nfs/dbraw/zinc/64/22/96/639642296.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000985801225 639642299 /nfs/dbraw/zinc/64/22/99/639642299.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000985801225 639642304 /nfs/dbraw/zinc/64/23/04/639642304.db2.gz BDDFVNJWCBVYBP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000951192261 639797064 /nfs/dbraw/zinc/79/70/64/639797064.db2.gz DXTYUCYICQRTHW-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987103057 640087450 /nfs/dbraw/zinc/08/74/50/640087450.db2.gz NTTIAIUSYMNXFX-UONOGXRCSA-N 2 1 324.856 2.338 20 30 DEEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411836 640540172 /nfs/dbraw/zinc/54/01/72/640540172.db2.gz CGFASUZQPZSCLY-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411836 640540178 /nfs/dbraw/zinc/54/01/78/640540178.db2.gz CGFASUZQPZSCLY-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411836 640540181 /nfs/dbraw/zinc/54/01/81/640540181.db2.gz CGFASUZQPZSCLY-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000763411836 640540184 /nfs/dbraw/zinc/54/01/84/640540184.db2.gz CGFASUZQPZSCLY-PKOBYXMFSA-N 2 1 313.445 2.255 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000763943184 640587103 /nfs/dbraw/zinc/58/71/03/640587103.db2.gz KRRWKLUUAXTRLV-HNNXBMFYSA-N 2 1 309.841 2.177 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000764579088 640657739 /nfs/dbraw/zinc/65/77/39/640657739.db2.gz ULODRSGAVLGLDE-SFHVURJKSA-N 2 1 315.461 2.085 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989451706 641011503 /nfs/dbraw/zinc/01/15/03/641011503.db2.gz LNGZYGQUISFRMJ-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C[NH+]1CCN(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000768358921 641072402 /nfs/dbraw/zinc/07/24/02/641072402.db2.gz ZLFGQBYULIWSNI-KDURUIRLSA-N 2 1 312.461 2.417 20 30 DEEDMP C[NH+]1CCN(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000768358921 641072405 /nfs/dbraw/zinc/07/24/05/641072405.db2.gz ZLFGQBYULIWSNI-KDURUIRLSA-N 2 1 312.461 2.417 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775712 646626788 /nfs/dbraw/zinc/62/67/88/646626788.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775712 646626789 /nfs/dbraw/zinc/62/67/89/646626789.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775712 646626793 /nfs/dbraw/zinc/62/67/93/646626793.db2.gz PCUPNPNQGDTURM-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3ccnc3C(C)C)CCC[C@H]12 ZINC000992266039 646920527 /nfs/dbraw/zinc/92/05/27/646920527.db2.gz XUJLYAPZFDJSES-YJBOKZPZSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266039 646920531 /nfs/dbraw/zinc/92/05/31/646920531.db2.gz XUJLYAPZFDJSES-YJBOKZPZSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992266039 646920534 /nfs/dbraw/zinc/92/05/34/646920534.db2.gz XUJLYAPZFDJSES-YJBOKZPZSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365815 646959555 /nfs/dbraw/zinc/95/95/55/646959555.db2.gz DIZZPBXPEWZIFQ-HKUYNNGSSA-N 2 1 319.493 2.406 20 30 DEEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818985845 647557997 /nfs/dbraw/zinc/55/79/97/647557997.db2.gz XZQZRUYBZMYWNY-FUHWJXTLSA-N 2 1 301.434 2.302 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993602675 647704126 /nfs/dbraw/zinc/70/41/26/647704126.db2.gz AVVRYAQGNQSKOF-HZPDHXFCSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993602675 647704129 /nfs/dbraw/zinc/70/41/29/647704129.db2.gz AVVRYAQGNQSKOF-HZPDHXFCSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993922582 647766897 /nfs/dbraw/zinc/76/68/97/647766897.db2.gz BWQOOIBWXDEBGW-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@@H]2C)CC1 ZINC000994491905 647969742 /nfs/dbraw/zinc/96/97/42/647969742.db2.gz AMQALEATFFVNDS-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC)CC1(C)C ZINC000940807403 648946139 /nfs/dbraw/zinc/94/61/39/648946139.db2.gz NRNYWCFUQYFXMF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC)CC1(C)C ZINC000940807403 648946143 /nfs/dbraw/zinc/94/61/43/648946143.db2.gz NRNYWCFUQYFXMF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)CC1(C)C ZINC000940807403 648946146 /nfs/dbraw/zinc/94/61/46/648946146.db2.gz NRNYWCFUQYFXMF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC)CC1(C)C ZINC000940807403 648946149 /nfs/dbraw/zinc/94/61/49/648946149.db2.gz NRNYWCFUQYFXMF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842448 648954555 /nfs/dbraw/zinc/95/45/55/648954555.db2.gz GYKLSMAMNGWWRV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842448 648954557 /nfs/dbraw/zinc/95/45/57/648954557.db2.gz GYKLSMAMNGWWRV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842448 648954561 /nfs/dbraw/zinc/95/45/61/648954561.db2.gz GYKLSMAMNGWWRV-HZPDHXFCSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913708 648967865 /nfs/dbraw/zinc/96/78/65/648967865.db2.gz GBULGPUIYYMBGQ-SJORKVTESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940913706 648967882 /nfs/dbraw/zinc/96/78/82/648967882.db2.gz GBULGPUIYYMBGQ-IRXDYDNUSA-N 2 1 319.493 2.264 20 30 DEEDMP C#CCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827857014 649095159 /nfs/dbraw/zinc/09/51/59/649095159.db2.gz WCXVRGKOPCEYKB-LJQANCHMSA-N 2 1 316.445 2.241 20 30 DEEDMP C#CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827857014 649095161 /nfs/dbraw/zinc/09/51/61/649095161.db2.gz WCXVRGKOPCEYKB-LJQANCHMSA-N 2 1 316.445 2.241 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098936 649156934 /nfs/dbraw/zinc/15/69/34/649156934.db2.gz DHGQYFCXVOULQQ-ZFWWWQNUSA-N 2 1 321.490 2.436 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942824642 649290988 /nfs/dbraw/zinc/29/09/88/649290988.db2.gz YGZZXEMIJROKGN-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943288941 649358975 /nfs/dbraw/zinc/35/89/75/649358975.db2.gz NYRXTCNXVSSUDD-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000848551104 651469490 /nfs/dbraw/zinc/46/94/90/651469490.db2.gz DCHHFYZYPAVWHV-SFHVURJKSA-N 2 1 314.429 2.395 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000848551104 651469491 /nfs/dbraw/zinc/46/94/91/651469491.db2.gz DCHHFYZYPAVWHV-SFHVURJKSA-N 2 1 314.429 2.395 20 30 DEEDMP C[N@H+]1CC[C@](O)(C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849019099 651584861 /nfs/dbraw/zinc/58/48/61/651584861.db2.gz IGYXXOCZGKFYLB-SFHVURJKSA-N 2 1 316.449 2.007 20 30 DEEDMP CCO[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000253355006 685195933 /nfs/dbraw/zinc/19/59/33/685195933.db2.gz AEJNCCZMWSKMGO-DLBZAZTESA-N 2 1 318.465 2.153 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303896144 685238587 /nfs/dbraw/zinc/23/85/87/685238587.db2.gz UHKQMRFZKFYWKN-INIZCTEOSA-N 2 1 318.440 2.246 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828053 687712205 /nfs/dbraw/zinc/71/22/05/687712205.db2.gz CEQUQWMCRYYUDY-HOTGVXAUSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001019274937 688317623 /nfs/dbraw/zinc/31/76/23/688317623.db2.gz VQOMSDAKDIUAMB-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001032581302 689193333 /nfs/dbraw/zinc/19/33/33/689193333.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001032581302 689193335 /nfs/dbraw/zinc/19/33/35/689193335.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001032581302 689193336 /nfs/dbraw/zinc/19/33/36/689193336.db2.gz PTKGPXAPFRJGFB-BZSNNMDCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664634 689218040 /nfs/dbraw/zinc/21/80/40/689218040.db2.gz LAITUVYQHPKIBC-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001032664634 689218044 /nfs/dbraw/zinc/21/80/44/689218044.db2.gz LAITUVYQHPKIBC-HOTGVXAUSA-N 2 1 316.449 2.258 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033354056 689474025 /nfs/dbraw/zinc/47/40/25/689474025.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033354056 689474028 /nfs/dbraw/zinc/47/40/28/689474028.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033354056 689474030 /nfs/dbraw/zinc/47/40/30/689474030.db2.gz MJWMYKBQAIIFTP-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033883808 689649944 /nfs/dbraw/zinc/64/99/44/689649944.db2.gz UABODQNIGNHSLC-INIZCTEOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258488 689785162 /nfs/dbraw/zinc/78/51/62/689785162.db2.gz XWUXIJHWZSJIKC-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309572 689805020 /nfs/dbraw/zinc/80/50/20/689805020.db2.gz MRJNVSMUBYWXHW-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034370528 689826536 /nfs/dbraw/zinc/82/65/36/689826536.db2.gz XMKJPXYKWWZDRY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034370528 689826539 /nfs/dbraw/zinc/82/65/39/689826539.db2.gz XMKJPXYKWWZDRY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034370528 689826543 /nfs/dbraw/zinc/82/65/43/689826543.db2.gz XMKJPXYKWWZDRY-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001034676390 689924765 /nfs/dbraw/zinc/92/47/65/689924765.db2.gz YIDYTARQWCWKKD-LUKYLMHMSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035166135 690046230 /nfs/dbraw/zinc/04/62/30/690046230.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035166135 690046234 /nfs/dbraw/zinc/04/62/34/690046234.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035166135 690046237 /nfs/dbraw/zinc/04/62/37/690046237.db2.gz HZNQNGQNXWHVEI-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203511 690058813 /nfs/dbraw/zinc/05/88/13/690058813.db2.gz JMVMPIRWCJLXEE-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036093706 690258802 /nfs/dbraw/zinc/25/88/02/690258802.db2.gz FWHDJNNJRJLYSS-DOTOQJQBSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036204213 690290414 /nfs/dbraw/zinc/29/04/14/690290414.db2.gz FBTDBRAUTBQHCK-HUUCEWRRSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038355442 690792913 /nfs/dbraw/zinc/79/29/13/690792913.db2.gz ZWQZAAPMXNIRAN-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355442 690792916 /nfs/dbraw/zinc/79/29/16/690792916.db2.gz ZWQZAAPMXNIRAN-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038355442 690792920 /nfs/dbraw/zinc/79/29/20/690792920.db2.gz ZWQZAAPMXNIRAN-IRXDYDNUSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038907671 690963294 /nfs/dbraw/zinc/96/32/94/690963294.db2.gz CZOHFDRDPBZXGQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038907671 690963297 /nfs/dbraw/zinc/96/32/97/690963297.db2.gz CZOHFDRDPBZXGQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038907671 690963299 /nfs/dbraw/zinc/96/32/99/690963299.db2.gz CZOHFDRDPBZXGQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038907671 690963303 /nfs/dbraw/zinc/96/33/03/690963303.db2.gz CZOHFDRDPBZXGQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040201690 691212853 /nfs/dbraw/zinc/21/28/53/691212853.db2.gz NGLFISZTVDZIBQ-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201690 691212856 /nfs/dbraw/zinc/21/28/56/691212856.db2.gz NGLFISZTVDZIBQ-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040201690 691212857 /nfs/dbraw/zinc/21/28/57/691212857.db2.gz NGLFISZTVDZIBQ-PKOBYXMFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040243823 691219642 /nfs/dbraw/zinc/21/96/42/691219642.db2.gz CBLJQPNKDVAILB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243823 691219644 /nfs/dbraw/zinc/21/96/44/691219644.db2.gz CBLJQPNKDVAILB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040243823 691219647 /nfs/dbraw/zinc/21/96/47/691219647.db2.gz CBLJQPNKDVAILB-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264032 691222472 /nfs/dbraw/zinc/22/24/72/691222472.db2.gz KVVLBMXRUCTLJT-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264032 691222476 /nfs/dbraw/zinc/22/24/76/691222476.db2.gz KVVLBMXRUCTLJT-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264032 691222479 /nfs/dbraw/zinc/22/24/79/691222479.db2.gz KVVLBMXRUCTLJT-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040283003 691225245 /nfs/dbraw/zinc/22/52/45/691225245.db2.gz YZDHJVISYLIHBK-SFHVURJKSA-N 2 1 317.477 2.115 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641116 691275719 /nfs/dbraw/zinc/27/57/19/691275719.db2.gz KFYUJRNGIGAVKK-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377675 691368898 /nfs/dbraw/zinc/36/88/98/691368898.db2.gz CVDLGYCPAVOTEI-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041403274 691371824 /nfs/dbraw/zinc/37/18/24/691371824.db2.gz OFHOHJKSVQOSKG-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785580 691429855 /nfs/dbraw/zinc/42/98/55/691429855.db2.gz ITEDIYYUPAUIAU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785580 691429857 /nfs/dbraw/zinc/42/98/57/691429857.db2.gz ITEDIYYUPAUIAU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785580 691429859 /nfs/dbraw/zinc/42/98/59/691429859.db2.gz ITEDIYYUPAUIAU-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000883216580 691458717 /nfs/dbraw/zinc/45/87/17/691458717.db2.gz SHNZUTHVXCXLPX-SJLPKXTDSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000883216580 691458721 /nfs/dbraw/zinc/45/87/21/691458721.db2.gz SHNZUTHVXCXLPX-SJLPKXTDSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCCO1 ZINC000883220961 691460137 /nfs/dbraw/zinc/46/01/37/691460137.db2.gz RSAVYCIMIVXXSH-SJORKVTESA-N 2 1 309.498 2.116 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132805 691517201 /nfs/dbraw/zinc/51/72/01/691517201.db2.gz FSBNTFCVHGZIKT-YOEHRIQHSA-N 2 1 310.401 2.057 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132742 691517269 /nfs/dbraw/zinc/51/72/69/691517269.db2.gz HUYGMEIJHJKDTJ-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042725264 691646277 /nfs/dbraw/zinc/64/62/77/691646277.db2.gz NCTZGHZJFQTEKC-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042725264 691646279 /nfs/dbraw/zinc/64/62/79/691646279.db2.gz NCTZGHZJFQTEKC-INIZCTEOSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001042911637 691659644 /nfs/dbraw/zinc/65/96/44/691659644.db2.gz MEXDDLDBOSLYHP-INIZCTEOSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438394 691981269 /nfs/dbraw/zinc/98/12/69/691981269.db2.gz RZLNRNCMENOHBP-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000886021556 691985754 /nfs/dbraw/zinc/98/57/54/691985754.db2.gz YUUZCYPBUMFQBD-IAGOWNOFSA-N 2 1 305.466 2.239 20 30 DEEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531683 691993642 /nfs/dbraw/zinc/99/36/42/691993642.db2.gz NVIUFJJABKXVOG-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045962070 692062848 /nfs/dbraw/zinc/06/28/48/692062848.db2.gz FKQBMVSMZIABTI-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045979912 692067960 /nfs/dbraw/zinc/06/79/60/692067960.db2.gz MPPVSYBALSYGGA-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979912 692067964 /nfs/dbraw/zinc/06/79/64/692067964.db2.gz MPPVSYBALSYGGA-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045979912 692067968 /nfs/dbraw/zinc/06/79/68/692067968.db2.gz MPPVSYBALSYGGA-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[C@@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000886590418 692121083 /nfs/dbraw/zinc/12/10/83/692121083.db2.gz UYHYHACJPHIVOC-HKUYNNGSSA-N 2 1 318.461 2.447 20 30 DEEDMP C=CCCC[C@@H](COc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000886590418 692121085 /nfs/dbraw/zinc/12/10/85/692121085.db2.gz UYHYHACJPHIVOC-HKUYNNGSSA-N 2 1 318.461 2.447 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001048512347 692635050 /nfs/dbraw/zinc/63/50/50/692635050.db2.gz PGVYIXJOUBSYRV-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048512347 692635052 /nfs/dbraw/zinc/63/50/52/692635052.db2.gz PGVYIXJOUBSYRV-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048512347 692635058 /nfs/dbraw/zinc/63/50/58/692635058.db2.gz PGVYIXJOUBSYRV-XMTFNYHQSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001049571574 692925030 /nfs/dbraw/zinc/92/50/30/692925030.db2.gz DVXXROQQUIWTCS-IRXDYDNUSA-N 2 1 310.401 2.199 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC001050264249 693149037 /nfs/dbraw/zinc/14/90/37/693149037.db2.gz VINLSAHYULARTP-QAPCUYQASA-N 2 1 313.445 2.071 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC001050264249 693149040 /nfs/dbraw/zinc/14/90/40/693149040.db2.gz VINLSAHYULARTP-QAPCUYQASA-N 2 1 313.445 2.071 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376874 693518517 /nfs/dbraw/zinc/51/85/17/693518517.db2.gz KFNBPZMKJCRKGI-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052446295 693537529 /nfs/dbraw/zinc/53/75/29/693537529.db2.gz YNNLKVBNIOHOJQ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446295 693537533 /nfs/dbraw/zinc/53/75/33/693537533.db2.gz YNNLKVBNIOHOJQ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052446295 693537538 /nfs/dbraw/zinc/53/75/38/693537538.db2.gz YNNLKVBNIOHOJQ-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562045 693568685 /nfs/dbraw/zinc/56/86/85/693568685.db2.gz IFGJACWTYYNNCY-MRXNPFEDSA-N 2 1 312.417 2.495 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052764415 693614592 /nfs/dbraw/zinc/61/45/92/693614592.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764415 693614595 /nfs/dbraw/zinc/61/45/95/693614595.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052764415 693614596 /nfs/dbraw/zinc/61/45/96/693614596.db2.gz OUTYQYPMJJLDMH-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001402322006 1162324687 /nfs/dbraw/zinc/32/46/87/1162324687.db2.gz WBDXMZVPWOKSQM-HUUCEWRRSA-N 2 1 313.873 2.096 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332217565 1149836351 /nfs/dbraw/zinc/83/63/51/1149836351.db2.gz IHRRNEIQDYLNKI-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC001353483280 1151833400 /nfs/dbraw/zinc/83/34/00/1151833400.db2.gz SYTOEKWBLIZGPK-SFHVURJKSA-N 2 1 315.461 2.235 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001380082780 1152747456 /nfs/dbraw/zinc/74/74/56/1152747456.db2.gz AVJVBWHAIZOHBL-ZDUSSCGKSA-N 2 1 303.878 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001381735407 1153199755 /nfs/dbraw/zinc/19/97/55/1153199755.db2.gz LIIYKCJLTOBNAF-UHFFFAOYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001392764933 1157396302 /nfs/dbraw/zinc/39/63/02/1157396302.db2.gz MZNYLMYZUDGPBT-LSDHHAIUSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376979716 1159862860 /nfs/dbraw/zinc/86/28/60/1159862860.db2.gz KDGHZHMTHANZBZ-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001420025468 1169075869 /nfs/dbraw/zinc/07/58/69/1169075869.db2.gz RPTDYIATDKYYNW-GJZGRUSLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001420127786 1169181721 /nfs/dbraw/zinc/18/17/21/1169181721.db2.gz GKFXMBZVZXJZMW-CYBMUJFWSA-N 2 1 312.845 2.243 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001421125133 1171512346 /nfs/dbraw/zinc/51/23/46/1171512346.db2.gz APCIQUGMLNZRFQ-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001422577607 1172723780 /nfs/dbraw/zinc/72/37/80/1172723780.db2.gz ZXCKXXCWLORFHC-KGLIPLIRSA-N 2 1 301.862 2.096 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001422933792 1172955211 /nfs/dbraw/zinc/95/52/11/1172955211.db2.gz LZOZXEVVPLRSRK-CABCVRRESA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001439766102 1181227615 /nfs/dbraw/zinc/22/76/15/1181227615.db2.gz UHTXKUYGODVMMG-UONOGXRCSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001444373603 1183361964 /nfs/dbraw/zinc/36/19/64/1183361964.db2.gz ICYPXRCEUVCDBB-DZGCQCFKSA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001446960661 1184591867 /nfs/dbraw/zinc/59/18/67/1184591867.db2.gz YFTHYMGUESJNLA-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116121 782226243 /nfs/dbraw/zinc/22/62/43/782226243.db2.gz OALOJFDSRKUSCM-SJORKVTESA-N 2 1 321.509 2.203 20 30 DEEDMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001332736106 1149886350 /nfs/dbraw/zinc/88/63/50/1149886350.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001332736106 1149886353 /nfs/dbraw/zinc/88/63/53/1149886353.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001332736106 1149886354 /nfs/dbraw/zinc/88/63/54/1149886354.db2.gz WCVRDHQBNOBKAK-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249433 782569712 /nfs/dbraw/zinc/56/97/12/782569712.db2.gz HMZAVXXOFJBTQX-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321912 782653059 /nfs/dbraw/zinc/65/30/59/782653059.db2.gz HOJKVWISQRZZNV-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344955 782729890 /nfs/dbraw/zinc/72/98/90/782729890.db2.gz UUCFDXVTKGNLKT-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775628 782929343 /nfs/dbraw/zinc/92/93/43/782929343.db2.gz URJKUSVJBDIPOQ-QZTJIDSGSA-N 2 1 321.509 2.206 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552996 783170692 /nfs/dbraw/zinc/17/06/92/783170692.db2.gz YSTAZHOARAUJEO-GOEBONIOSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983177 790356906 /nfs/dbraw/zinc/35/69/06/790356906.db2.gz NBFJSTFWGKRYOH-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983177 790356916 /nfs/dbraw/zinc/35/69/16/790356916.db2.gz NBFJSTFWGKRYOH-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983177 790356927 /nfs/dbraw/zinc/35/69/27/790356927.db2.gz NBFJSTFWGKRYOH-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171260854 791179887 /nfs/dbraw/zinc/17/98/87/791179887.db2.gz NHBNUGGGEZRVCM-CQSZACIVSA-N 2 1 315.889 2.488 20 30 DEEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167237090 776789445 /nfs/dbraw/zinc/78/94/45/776789445.db2.gz UIDFSBNITADCOO-JKSUJKDBSA-N 2 1 307.482 2.026 20 30 DEEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167237077 776789608 /nfs/dbraw/zinc/78/96/08/776789608.db2.gz UAIOAJNZZWYJMA-CVEARBPZSA-N 2 1 307.482 2.026 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013607 778297286 /nfs/dbraw/zinc/29/72/86/778297286.db2.gz PDBPSOALFRGCLW-IUODEOHRSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812620 778653468 /nfs/dbraw/zinc/65/34/68/778653468.db2.gz RDJMRSMTEQDZQH-UHFFFAOYSA-N 2 1 315.889 2.347 20 30 DEEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764251 /nfs/dbraw/zinc/76/42/51/778764251.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764260 /nfs/dbraw/zinc/76/42/60/778764260.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298086 778764264 /nfs/dbraw/zinc/76/42/64/778764264.db2.gz ZPGIVYRZUHYLQU-KDURUIRLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986395 779609357 /nfs/dbraw/zinc/60/93/57/779609357.db2.gz JJQOCNGNSVXZCO-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986395 779609360 /nfs/dbraw/zinc/60/93/60/779609360.db2.gz JJQOCNGNSVXZCO-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986395 779609363 /nfs/dbraw/zinc/60/93/63/779609363.db2.gz JJQOCNGNSVXZCO-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620873 /nfs/dbraw/zinc/62/08/73/779620873.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620879 /nfs/dbraw/zinc/62/08/79/779620879.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994851 779620884 /nfs/dbraw/zinc/62/08/84/779620884.db2.gz GOCDNMGKTHDUBU-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323397 779952400 /nfs/dbraw/zinc/95/24/00/779952400.db2.gz NDIWDDHPTYCXGA-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329948 779968315 /nfs/dbraw/zinc/96/83/15/779968315.db2.gz LENMOZNSLZBKNW-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001088336820 779988019 /nfs/dbraw/zinc/98/80/19/779988019.db2.gz NLDUXPFSYSHAHO-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001088348275 780005394 /nfs/dbraw/zinc/00/53/94/780005394.db2.gz OYMIIXJZVGNXBD-HNNXBMFYSA-N 2 1 324.856 2.305 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](C3CCC([NH+](C)C)CC3)C2)C1=O ZINC001168319103 780835496 /nfs/dbraw/zinc/83/54/96/780835496.db2.gz OPXBFZWDDVLOSW-FAFZWHIHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292599 780958880 /nfs/dbraw/zinc/95/88/80/780958880.db2.gz UYRRSVRRCGABFC-IXDOHACOSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075993248 780966761 /nfs/dbraw/zinc/96/67/61/780966761.db2.gz LEXTUTQNEZDKFK-DOTOQJQBSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001076603989 781321166 /nfs/dbraw/zinc/32/11/66/781321166.db2.gz HCZKFBSQVPFLIZ-ZWKOTPCHSA-N 2 1 313.445 2.081 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000948242490 783388633 /nfs/dbraw/zinc/38/86/33/783388633.db2.gz XFPXYAXSYGUVBX-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000948242490 783388640 /nfs/dbraw/zinc/38/86/40/783388640.db2.gz XFPXYAXSYGUVBX-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000948242490 783388649 /nfs/dbraw/zinc/38/86/49/783388649.db2.gz XFPXYAXSYGUVBX-LSDHHAIUSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111275233 783488623 /nfs/dbraw/zinc/48/86/23/783488623.db2.gz ROXDZDUELCVGCL-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275233 783488626 /nfs/dbraw/zinc/48/86/26/783488626.db2.gz ROXDZDUELCVGCL-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275233 783488634 /nfs/dbraw/zinc/48/86/34/783488634.db2.gz ROXDZDUELCVGCL-VQHPVUNQSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583548 783511837 /nfs/dbraw/zinc/51/18/37/783511837.db2.gz UJYKAKQOSPYLOI-MRXNPFEDSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519266 783544584 /nfs/dbraw/zinc/54/45/84/783544584.db2.gz GZKBPIOFEGQMLK-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001085648846 783935960 /nfs/dbraw/zinc/93/59/60/783935960.db2.gz YILVJKMEWLNYQD-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001085648846 783935964 /nfs/dbraw/zinc/93/59/64/783935964.db2.gz YILVJKMEWLNYQD-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085648846 783935965 /nfs/dbraw/zinc/93/59/65/783935965.db2.gz YILVJKMEWLNYQD-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)(C)C ZINC001085648846 783935974 /nfs/dbraw/zinc/93/59/74/783935974.db2.gz YILVJKMEWLNYQD-SJORKVTESA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967707120 784097296 /nfs/dbraw/zinc/09/72/96/784097296.db2.gz CPCWOWFIFQNWOO-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085985032 784288847 /nfs/dbraw/zinc/28/88/47/784288847.db2.gz REBNDGMWVADKQZ-SFHVURJKSA-N 2 1 315.461 2.471 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681596 784538280 /nfs/dbraw/zinc/53/82/80/784538280.db2.gz KJFYIVPTHISITG-QAPCUYQASA-N 2 1 315.461 2.374 20 30 DEEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC000968893389 784639432 /nfs/dbraw/zinc/63/94/32/784639432.db2.gz JUGWAXFJDNZPIG-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007327435 784888644 /nfs/dbraw/zinc/88/86/44/784888644.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007327435 784888652 /nfs/dbraw/zinc/88/86/52/784888652.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007327435 784888662 /nfs/dbraw/zinc/88/86/62/784888662.db2.gz NUUBVDDCMOMPRV-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007751410 784991672 /nfs/dbraw/zinc/99/16/72/784991672.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751410 784991680 /nfs/dbraw/zinc/99/16/80/784991680.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007751410 784991687 /nfs/dbraw/zinc/99/16/87/784991687.db2.gz ZHGBGKNCLDFXOX-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052746 785091606 /nfs/dbraw/zinc/09/16/06/785091606.db2.gz OPCKOOMASSXALS-SJORKVTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001008582884 785246262 /nfs/dbraw/zinc/24/62/62/785246262.db2.gz OLFBYXOOGXGTAE-ARFHVFGLSA-N 2 1 316.449 2.070 20 30 DEEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780415 785536050 /nfs/dbraw/zinc/53/60/50/785536050.db2.gz AAPOVOIYKOZBLE-BZSNNMDCSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248965 791126982 /nfs/dbraw/zinc/12/69/82/791126982.db2.gz ZNLAFSQFVTZZFW-CVEARBPZSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400440 785852477 /nfs/dbraw/zinc/85/24/77/785852477.db2.gz GEPPPBPWHVAEGM-PMPSAXMXSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109411669 785858986 /nfs/dbraw/zinc/85/89/86/785858986.db2.gz GTUKOAOLNNWXAJ-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411669 785858996 /nfs/dbraw/zinc/85/89/96/785858996.db2.gz GTUKOAOLNNWXAJ-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109411669 785859005 /nfs/dbraw/zinc/85/90/05/785859005.db2.gz GTUKOAOLNNWXAJ-IKGGRYGDSA-N 2 1 305.466 2.158 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932933 786102783 /nfs/dbraw/zinc/10/27/83/786102783.db2.gz ZOQNGUCFLIUIAS-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932933 786102785 /nfs/dbraw/zinc/10/27/85/786102785.db2.gz ZOQNGUCFLIUIAS-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932933 786102787 /nfs/dbraw/zinc/10/27/87/786102787.db2.gz ZOQNGUCFLIUIAS-NCOADZHNSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170047885 786157394 /nfs/dbraw/zinc/15/73/94/786157394.db2.gz UMFVQHLSZZFGPN-ROUUACIJSA-N 2 1 301.434 2.410 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112960492 786329056 /nfs/dbraw/zinc/32/90/56/786329056.db2.gz MGXHTZWYINFRKT-ROUUACIJSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014698862 786712650 /nfs/dbraw/zinc/71/26/50/786712650.db2.gz BLAWVBGPOPOTSR-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698862 786712659 /nfs/dbraw/zinc/71/26/59/786712659.db2.gz BLAWVBGPOPOTSR-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001014698862 786712661 /nfs/dbraw/zinc/71/26/61/786712661.db2.gz BLAWVBGPOPOTSR-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015030801 786869582 /nfs/dbraw/zinc/86/95/82/786869582.db2.gz AETKHISBCUKIEJ-HNNXBMFYSA-N 2 1 312.417 2.413 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001096234233 787591271 /nfs/dbraw/zinc/59/12/71/787591271.db2.gz OWBLBJCUXZMUQC-SQNIBIBYSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)CN1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107079 787934830 /nfs/dbraw/zinc/93/48/30/787934830.db2.gz XNFSWJSSKFLVIC-UONOGXRCSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063414 787962607 /nfs/dbraw/zinc/96/26/07/787962607.db2.gz KEMCYNMQYUFSSL-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063414 787962610 /nfs/dbraw/zinc/96/26/10/787962610.db2.gz KEMCYNMQYUFSSL-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063414 787962614 /nfs/dbraw/zinc/96/26/14/787962614.db2.gz KEMCYNMQYUFSSL-WCXIOVBPSA-N 2 1 305.466 2.157 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409978 788064076 /nfs/dbraw/zinc/06/40/76/788064076.db2.gz IAYWAFLXARGOLR-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001097343717 788066648 /nfs/dbraw/zinc/06/66/48/788066648.db2.gz XWFGYXBQPUWAFH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001097343717 788066651 /nfs/dbraw/zinc/06/66/51/788066651.db2.gz XWFGYXBQPUWAFH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001097343717 788066658 /nfs/dbraw/zinc/06/66/58/788066658.db2.gz XWFGYXBQPUWAFH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001097343717 788066666 /nfs/dbraw/zinc/06/66/66/788066666.db2.gz XWFGYXBQPUWAFH-WCXIOVBPSA-N 2 1 305.466 2.158 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132493963 788104131 /nfs/dbraw/zinc/10/41/31/788104131.db2.gz OIMKDCOQLPPVBE-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524508 788113923 /nfs/dbraw/zinc/11/39/23/788113923.db2.gz IEPJJABKMHEOQV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133318039 788368883 /nfs/dbraw/zinc/36/88/83/788368883.db2.gz DHZDZYMOADJIHJ-DOTOQJQBSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086786027 789505296 /nfs/dbraw/zinc/50/52/96/789505296.db2.gz FWHDOKQRGZDFMU-LUKYLMHMSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629280 789827582 /nfs/dbraw/zinc/82/75/82/789827582.db2.gz XLSWBWFXIQBIQA-ZBFHGGJFSA-N 2 1 324.428 2.249 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071957317 789987715 /nfs/dbraw/zinc/98/77/15/789987715.db2.gz GVJBTTJKESMJLL-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001171330136 791741179 /nfs/dbraw/zinc/74/11/79/791741179.db2.gz RRPSENNTTAAHFI-DLBZAZTESA-N 2 1 307.482 2.149 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148651618 791781434 /nfs/dbraw/zinc/78/14/34/791781434.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651618 791781437 /nfs/dbraw/zinc/78/14/37/791781437.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651618 791781440 /nfs/dbraw/zinc/78/14/40/791781440.db2.gz KTULUGMYPBAMTK-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941776 791856984 /nfs/dbraw/zinc/85/69/84/791856984.db2.gz BGESGKNTWOHDEK-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658367 792103099 /nfs/dbraw/zinc/10/30/99/792103099.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658367 792103109 /nfs/dbraw/zinc/10/31/09/792103109.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658367 792103118 /nfs/dbraw/zinc/10/31/18/792103118.db2.gz RICZVDYHIIYTEZ-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671790 792109512 /nfs/dbraw/zinc/10/95/12/792109512.db2.gz PJUSZRVKELXKCL-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671790 792109515 /nfs/dbraw/zinc/10/95/15/792109515.db2.gz PJUSZRVKELXKCL-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671790 792109519 /nfs/dbraw/zinc/10/95/19/792109519.db2.gz PJUSZRVKELXKCL-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001099137919 792112423 /nfs/dbraw/zinc/11/24/23/792112423.db2.gz JJMGJOPKWRJPFJ-WDSOQIARSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001099137919 792112426 /nfs/dbraw/zinc/11/24/26/792112426.db2.gz JJMGJOPKWRJPFJ-WDSOQIARSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001099137919 792112429 /nfs/dbraw/zinc/11/24/29/792112429.db2.gz JJMGJOPKWRJPFJ-WDSOQIARSA-N 2 1 317.477 2.019 20 30 DEEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544728 792236143 /nfs/dbraw/zinc/23/61/43/792236143.db2.gz UGPLKCFHGSMCHL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544728 792236147 /nfs/dbraw/zinc/23/61/47/792236147.db2.gz UGPLKCFHGSMCHL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544728 792236153 /nfs/dbraw/zinc/23/61/53/792236153.db2.gz UGPLKCFHGSMCHL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099548304 792238061 /nfs/dbraw/zinc/23/80/61/792238061.db2.gz SRLFQNSAKPCLQL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548304 792238071 /nfs/dbraw/zinc/23/80/71/792238071.db2.gz SRLFQNSAKPCLQL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099548304 792238079 /nfs/dbraw/zinc/23/80/79/792238079.db2.gz SRLFQNSAKPCLQL-XSLAGTTESA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158297 792960596 /nfs/dbraw/zinc/96/05/96/792960596.db2.gz KKNZUGYUZJGODM-VSZNYVQBSA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344968 793129857 /nfs/dbraw/zinc/12/98/57/793129857.db2.gz MWBGKSMDADJZBU-AEFFLSMTSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071497 793494292 /nfs/dbraw/zinc/49/42/92/793494292.db2.gz NJRMCGHVTCYPKX-ZACQAIPSSA-N 2 1 309.498 2.223 20 30 DEEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472225 793625853 /nfs/dbraw/zinc/62/58/53/793625853.db2.gz PJLRYNCECXXZJE-KZNAEPCWSA-N 2 1 321.509 2.060 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102782718 793754495 /nfs/dbraw/zinc/75/44/95/793754495.db2.gz PDCUXZNHQHDUNX-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102782718 793754499 /nfs/dbraw/zinc/75/44/99/793754499.db2.gz PDCUXZNHQHDUNX-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102782718 793754506 /nfs/dbraw/zinc/75/45/06/793754506.db2.gz PDCUXZNHQHDUNX-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174882808 794083182 /nfs/dbraw/zinc/08/31/82/794083182.db2.gz XNQVEIABMWPJEN-QZTJIDSGSA-N 2 1 321.509 2.396 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103435182 794090845 /nfs/dbraw/zinc/09/08/45/794090845.db2.gz UHGXODSCCCOVQK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103435182 794090852 /nfs/dbraw/zinc/09/08/52/794090852.db2.gz UHGXODSCCCOVQK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103435182 794090861 /nfs/dbraw/zinc/09/08/61/794090861.db2.gz UHGXODSCCCOVQK-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436100 794092109 /nfs/dbraw/zinc/09/21/09/794092109.db2.gz KKHPRLGEXUHMLY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436100 794092118 /nfs/dbraw/zinc/09/21/18/794092118.db2.gz KKHPRLGEXUHMLY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436100 794092124 /nfs/dbraw/zinc/09/21/24/794092124.db2.gz KKHPRLGEXUHMLY-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175747886 794277173 /nfs/dbraw/zinc/27/71/73/794277173.db2.gz VXEWYTLTIDEZHT-KRWDZBQOSA-N 2 1 309.498 2.396 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2ncc[nH]2)C1 ZINC001111731896 794460882 /nfs/dbraw/zinc/46/08/82/794460882.db2.gz SKSXSYCVAGMHNX-YJBOKZPZSA-N 2 1 316.449 2.279 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782248 794479731 /nfs/dbraw/zinc/47/97/31/794479731.db2.gz AMCHFXIRRFGUDA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782248 794479736 /nfs/dbraw/zinc/47/97/36/794479736.db2.gz AMCHFXIRRFGUDA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782248 794479740 /nfs/dbraw/zinc/47/97/40/794479740.db2.gz AMCHFXIRRFGUDA-BQFCYCMXSA-N 2 1 305.466 2.018 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176758378 794498143 /nfs/dbraw/zinc/49/81/43/794498143.db2.gz AFBKELHQXVHICV-SJLPKXTDSA-N 2 1 315.461 2.187 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861667 794503443 /nfs/dbraw/zinc/50/34/43/794503443.db2.gz YKXWUGKNDNFCBV-BQFCYCMXSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115534928 794812561 /nfs/dbraw/zinc/81/25/61/794812561.db2.gz BSQKJPLMFLEINN-QGZVFWFLSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115545110 794815677 /nfs/dbraw/zinc/81/56/77/794815677.db2.gz QZRPIINGCUIINE-JKSUJKDBSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692323 794881457 /nfs/dbraw/zinc/88/14/57/794881457.db2.gz MTTBYMOZCPOFNR-IRXDYDNUSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395604 795103822 /nfs/dbraw/zinc/10/38/22/795103822.db2.gz PSULVNOSJNEJBG-MRXNPFEDSA-N 2 1 318.465 2.206 20 30 DEEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792492 795177361 /nfs/dbraw/zinc/17/73/61/795177361.db2.gz PIFRAWQYUORLEI-ROUUACIJSA-N 2 1 319.493 2.293 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180138748 795239419 /nfs/dbraw/zinc/23/94/19/795239419.db2.gz NKJVGTRCTGYHIN-ULQDDVLXSA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135577 795240237 /nfs/dbraw/zinc/24/02/37/795240237.db2.gz JLJWTGGRVHVUSI-YCPHGPKFSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CCCn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nn1 ZINC001120072553 795402317 /nfs/dbraw/zinc/40/23/17/795402317.db2.gz WVDIGANULVNDBQ-YQQAZPJKSA-N 2 1 303.454 2.016 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422806 795456166 /nfs/dbraw/zinc/45/61/66/795456166.db2.gz OOKWSGCSVJOJNF-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001120469195 795466336 /nfs/dbraw/zinc/46/63/36/795466336.db2.gz IFLIOGZNAHNGAW-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001120469195 795466343 /nfs/dbraw/zinc/46/63/43/795466343.db2.gz IFLIOGZNAHNGAW-QZTJIDSGSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181727772 795525133 /nfs/dbraw/zinc/52/51/33/795525133.db2.gz DFWYXFGCJUQTTC-RVKKMQEKSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102537 795590798 /nfs/dbraw/zinc/59/07/98/795590798.db2.gz IJINFZGKQPLGJV-APUKJBRXSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294748 795612455 /nfs/dbraw/zinc/61/24/55/795612455.db2.gz GQNZFJDYKHEHER-APUKJBRXSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767535 795685068 /nfs/dbraw/zinc/68/50/68/795685068.db2.gz GIYKBZASUUKWDW-KZIPQDEESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772898 795685670 /nfs/dbraw/zinc/68/56/70/795685670.db2.gz JYUKRBNOGWPBGS-OIJFSCQUSA-N 2 1 319.493 2.167 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182693624 795733671 /nfs/dbraw/zinc/73/36/71/795733671.db2.gz ZZFBCASNQWQDJX-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809437 796130923 /nfs/dbraw/zinc/13/09/23/796130923.db2.gz GNEXUVBXGJRKNR-WFASDCNBSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169282 796530847 /nfs/dbraw/zinc/53/08/47/796530847.db2.gz RMLVOJZLNNLRMP-CVEARBPZSA-N 2 1 316.449 2.175 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188219233 796645549 /nfs/dbraw/zinc/64/55/49/796645549.db2.gz IKVAIKIORCNRCG-XYJFISCASA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188219233 796645552 /nfs/dbraw/zinc/64/55/52/796645552.db2.gz IKVAIKIORCNRCG-XYJFISCASA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443957 796997802 /nfs/dbraw/zinc/99/78/02/796997802.db2.gz MBISYNSBSVSQDW-CVEARBPZSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443948 796998271 /nfs/dbraw/zinc/99/82/71/796998271.db2.gz LXVYOJFMXAWWDC-JKSUJKDBSA-N 2 1 313.461 2.165 20 30 DEEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654192 797049147 /nfs/dbraw/zinc/04/91/47/797049147.db2.gz IABYZIXDXQNOEX-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654192 797049153 /nfs/dbraw/zinc/04/91/53/797049153.db2.gz IABYZIXDXQNOEX-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654192 797049159 /nfs/dbraw/zinc/04/91/59/797049159.db2.gz IABYZIXDXQNOEX-ZWKOTPCHSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653544 797050824 /nfs/dbraw/zinc/05/08/24/797050824.db2.gz DIESDHJGBCVYEC-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653544 797050825 /nfs/dbraw/zinc/05/08/25/797050825.db2.gz DIESDHJGBCVYEC-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653544 797050832 /nfs/dbraw/zinc/05/08/32/797050832.db2.gz DIESDHJGBCVYEC-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675776 797055794 /nfs/dbraw/zinc/05/57/94/797055794.db2.gz WSPWGVCUEJVNEF-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675776 797055802 /nfs/dbraw/zinc/05/58/02/797055802.db2.gz WSPWGVCUEJVNEF-NVXWUHKLSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153319192 797319723 /nfs/dbraw/zinc/31/97/23/797319723.db2.gz CTMQFPLHJQGCEQ-MRXNPFEDSA-N 2 1 303.450 2.179 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153319192 797319729 /nfs/dbraw/zinc/31/97/29/797319729.db2.gz CTMQFPLHJQGCEQ-MRXNPFEDSA-N 2 1 303.450 2.179 20 30 DEEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153445707 797339442 /nfs/dbraw/zinc/33/94/42/797339442.db2.gz GNIXHFVNQKDENR-JKSUJKDBSA-N 2 1 318.465 2.247 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153445707 797339449 /nfs/dbraw/zinc/33/94/49/797339449.db2.gz GNIXHFVNQKDENR-JKSUJKDBSA-N 2 1 318.465 2.247 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818965 797403263 /nfs/dbraw/zinc/40/32/63/797403263.db2.gz HSNKCROQPKSASP-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818965 797403269 /nfs/dbraw/zinc/40/32/69/797403269.db2.gz HSNKCROQPKSASP-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818965 797403273 /nfs/dbraw/zinc/40/32/73/797403273.db2.gz HSNKCROQPKSASP-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP N#Cc1c[nH]c2cc[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001155600853 797801802 /nfs/dbraw/zinc/80/18/02/797801802.db2.gz VXXMDSQUXVEEFO-YVEFUNNKSA-N 2 1 311.389 2.005 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428726 797998711 /nfs/dbraw/zinc/99/87/11/797998711.db2.gz XFJWTCXGYOTSBK-CQSZACIVSA-N 2 1 304.438 2.164 20 30 DEEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641773 798082042 /nfs/dbraw/zinc/08/20/42/798082042.db2.gz PXSPPDBENAJDQB-SFHVURJKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197049940 798138353 /nfs/dbraw/zinc/13/83/53/798138353.db2.gz ZTOPACNRJFZUAT-IAGOWNOFSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021728 798139519 /nfs/dbraw/zinc/13/95/19/798139519.db2.gz FEFOBXOXQKDITF-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197158187 798157405 /nfs/dbraw/zinc/15/74/05/798157405.db2.gz KJQCWERMCBUOTH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001197158187 798157408 /nfs/dbraw/zinc/15/74/08/798157408.db2.gz KJQCWERMCBUOTH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001197158187 798157410 /nfs/dbraw/zinc/15/74/10/798157410.db2.gz KJQCWERMCBUOTH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951326 798311779 /nfs/dbraw/zinc/31/17/79/798311779.db2.gz UJVYPDPCIZLYOH-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951326 798311785 /nfs/dbraw/zinc/31/17/85/798311785.db2.gz UJVYPDPCIZLYOH-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157951326 798311788 /nfs/dbraw/zinc/31/17/88/798311788.db2.gz UJVYPDPCIZLYOH-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158355661 798390404 /nfs/dbraw/zinc/39/04/04/798390404.db2.gz OQAHWXKDLMWVOK-HNNXBMFYSA-N 2 1 306.454 2.459 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158856450 798479657 /nfs/dbraw/zinc/47/96/57/798479657.db2.gz HMNCLHUTYIQRIA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158856450 798479660 /nfs/dbraw/zinc/47/96/60/798479660.db2.gz HMNCLHUTYIQRIA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158856450 798479662 /nfs/dbraw/zinc/47/96/62/798479662.db2.gz HMNCLHUTYIQRIA-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506916 798642461 /nfs/dbraw/zinc/64/24/61/798642461.db2.gz IWLWTRXHNSIRJT-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930707 798970938 /nfs/dbraw/zinc/97/09/38/798970938.db2.gz HLNVMHPUPBWXIO-UHFFFAOYSA-N 2 1 317.477 2.024 20 30 DEEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162986849 799215797 /nfs/dbraw/zinc/21/57/97/799215797.db2.gz BPPFOQDIYRFNLG-UHFFFAOYSA-N 2 1 317.477 2.175 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095661730 799685086 /nfs/dbraw/zinc/68/50/86/799685086.db2.gz NHNDQKYPJRHBJW-COXVUDFISA-N 2 1 310.401 2.164 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165271803 799691528 /nfs/dbraw/zinc/69/15/28/799691528.db2.gz OCVNNNWEBJOTHU-GDBMZVCRSA-N 2 1 318.465 2.205 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485051 799736804 /nfs/dbraw/zinc/73/68/04/799736804.db2.gz KOYVCSPKNNBDCS-KRWDZBQOSA-N 2 1 319.493 2.456 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165763754 799771881 /nfs/dbraw/zinc/77/18/81/799771881.db2.gz FNYJJXUBRUFRFO-CQSZACIVSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205462153 800359388 /nfs/dbraw/zinc/35/93/88/800359388.db2.gz UCFPIDYCSJPXFU-INIZCTEOSA-N 2 1 316.449 2.165 20 30 DEEDMP CC#CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461892 800360182 /nfs/dbraw/zinc/36/01/82/800360182.db2.gz RPEPZAQNWHGYAW-GOSISDBHSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483506 800362088 /nfs/dbraw/zinc/36/20/88/800362088.db2.gz GUPNCCPZANBWJG-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275609 800500237 /nfs/dbraw/zinc/50/02/37/800500237.db2.gz WWPVSGPMMFDDGB-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207436878 800751948 /nfs/dbraw/zinc/75/19/48/800751948.db2.gz VUUCCXWGKYFGMQ-SFHVURJKSA-N 2 1 321.465 2.097 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207538293 800773607 /nfs/dbraw/zinc/77/36/07/800773607.db2.gz MQUBFALBVYOBQG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538293 800773610 /nfs/dbraw/zinc/77/36/10/800773610.db2.gz MQUBFALBVYOBQG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538293 800773612 /nfs/dbraw/zinc/77/36/12/800773612.db2.gz MQUBFALBVYOBQG-FGTMMUONSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001208109317 800913899 /nfs/dbraw/zinc/91/38/99/800913899.db2.gz IUZUGNMIEYETOW-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331603 800956708 /nfs/dbraw/zinc/95/67/08/800956708.db2.gz UWUOBZQSNDYRSR-IRXDYDNUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208606184 801027751 /nfs/dbraw/zinc/02/77/51/801027751.db2.gz DKHBCIGCTOCDBM-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208606184 801027759 /nfs/dbraw/zinc/02/77/59/801027759.db2.gz DKHBCIGCTOCDBM-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208606184 801027761 /nfs/dbraw/zinc/02/77/61/801027761.db2.gz DKHBCIGCTOCDBM-GBESFXJTSA-N 2 1 322.493 2.402 20 30 DEEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585640 801426306 /nfs/dbraw/zinc/42/63/06/801426306.db2.gz RNQUMCYGWSAQAD-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610442 801435216 /nfs/dbraw/zinc/43/52/16/801435216.db2.gz AZIMRXHSMKCMIT-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011193 802265790 /nfs/dbraw/zinc/26/57/90/802265790.db2.gz JFIOBQXTRSFIMP-GJZGRUSLSA-N 2 1 304.438 2.230 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791658 802616146 /nfs/dbraw/zinc/61/61/46/802616146.db2.gz WUAVENVQSFDOOT-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083583 802639825 /nfs/dbraw/zinc/63/98/25/802639825.db2.gz IHRREPIVMJIHGQ-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001223507344 802796589 /nfs/dbraw/zinc/79/65/89/802796589.db2.gz QONSZGDAHKVLJR-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001223916984 802823773 /nfs/dbraw/zinc/82/37/73/802823773.db2.gz YAKGHTXIVDGMCE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223916984 802823779 /nfs/dbraw/zinc/82/37/79/802823779.db2.gz YAKGHTXIVDGMCE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001223916984 802823790 /nfs/dbraw/zinc/82/37/90/802823790.db2.gz YAKGHTXIVDGMCE-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224524388 802879801 /nfs/dbraw/zinc/87/98/01/802879801.db2.gz UVHIZNIVNIFEBC-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224524388 802879806 /nfs/dbraw/zinc/87/98/06/802879806.db2.gz UVHIZNIVNIFEBC-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226555175 803123800 /nfs/dbraw/zinc/12/38/00/803123800.db2.gz TYAACRIBBGLJBH-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001331226190 1149399393 /nfs/dbraw/zinc/39/93/93/1149399393.db2.gz OSPKZBLMGKZCKH-IAGOWNOFSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370316034 1149525234 /nfs/dbraw/zinc/52/52/34/1149525234.db2.gz CMOSJYITXXFZNF-HUUCEWRRSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001328735439 1148830136 /nfs/dbraw/zinc/83/01/36/1148830136.db2.gz AWESTOUJOJIETE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001328735439 1148830137 /nfs/dbraw/zinc/83/01/37/1148830137.db2.gz AWESTOUJOJIETE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001328735439 1148830138 /nfs/dbraw/zinc/83/01/38/1148830138.db2.gz AWESTOUJOJIETE-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001328765706 1148832947 /nfs/dbraw/zinc/83/29/47/1148832947.db2.gz NPHJHCXQDPBDEM-ZBFHGGJFSA-N 2 1 304.438 2.230 20 30 DEEDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001459418200 1058158353 /nfs/dbraw/zinc/15/83/53/1058158353.db2.gz YWNLFDRXPNBQGB-SFHVURJKSA-N 2 1 301.434 2.396 20 30 DEEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001459418200 1058158354 /nfs/dbraw/zinc/15/83/54/1058158354.db2.gz YWNLFDRXPNBQGB-SFHVURJKSA-N 2 1 301.434 2.396 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001500161062 1058536469 /nfs/dbraw/zinc/53/64/69/1058536469.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001500161062 1058536489 /nfs/dbraw/zinc/53/64/89/1058536489.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001500161062 1058536505 /nfs/dbraw/zinc/53/65/05/1058536505.db2.gz GITPYWQPECFBHU-IBGZPJMESA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001501168843 1059345485 /nfs/dbraw/zinc/34/54/85/1059345485.db2.gz MGWWACNINXPBGT-BJWYYQGGSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001502400956 1060111509 /nfs/dbraw/zinc/11/15/09/1060111509.db2.gz DZVNWXSSBKKXGG-GJZGRUSLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001502400956 1060111497 /nfs/dbraw/zinc/11/14/97/1060111497.db2.gz DZVNWXSSBKKXGG-GJZGRUSLSA-N 2 1 315.889 2.392 20 30 DEEDMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001505436641 1060594879 /nfs/dbraw/zinc/59/48/79/1060594879.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436641 1060594884 /nfs/dbraw/zinc/59/48/84/1060594884.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001505436641 1060594896 /nfs/dbraw/zinc/59/48/96/1060594896.db2.gz BBLVZQDLWXXQOQ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001505473814 1060642820 /nfs/dbraw/zinc/64/28/20/1060642820.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473814 1060642835 /nfs/dbraw/zinc/64/28/35/1060642835.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001505473814 1060642850 /nfs/dbraw/zinc/64/28/50/1060642850.db2.gz YQRZAKBHKFYSPV-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001479647128 1061559083 /nfs/dbraw/zinc/55/90/83/1061559083.db2.gz BMMMZPHVZGGNSL-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727583 1061647075 /nfs/dbraw/zinc/64/70/75/1061647075.db2.gz NPXFVCOOSNWYLY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001479727583 1061647086 /nfs/dbraw/zinc/64/70/86/1061647086.db2.gz NPXFVCOOSNWYLY-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915064 1062051530 /nfs/dbraw/zinc/05/15/30/1062051530.db2.gz HGZQRFVZMBNWMQ-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480102111 1062329844 /nfs/dbraw/zinc/32/98/44/1062329844.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001480102111 1062329861 /nfs/dbraw/zinc/32/98/61/1062329861.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001480102111 1062329881 /nfs/dbraw/zinc/32/98/81/1062329881.db2.gz PGUTUQLGCGFHML-KURKYZTESA-N 2 1 319.493 2.360 20 30 DEEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001506892831 1062480963 /nfs/dbraw/zinc/48/09/63/1062480963.db2.gz BYDAZNFDJMWQRM-QAQDUYKDSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001506961646 1062605406 /nfs/dbraw/zinc/60/54/06/1062605406.db2.gz WGVKLEXYOJNGSR-UHFFFAOYSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480368516 1062724192 /nfs/dbraw/zinc/72/41/92/1062724192.db2.gz ZEWBRNUWXLCFLP-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507347220 1063134003 /nfs/dbraw/zinc/13/40/03/1063134003.db2.gz HEVMDAJAVHKICH-QAPCUYQASA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001507854923 1063442469 /nfs/dbraw/zinc/44/24/69/1063442469.db2.gz NOPPAOKIBKFCOJ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001507854923 1063442477 /nfs/dbraw/zinc/44/24/77/1063442477.db2.gz NOPPAOKIBKFCOJ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001507854923 1063442486 /nfs/dbraw/zinc/44/24/86/1063442486.db2.gz NOPPAOKIBKFCOJ-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001493209812 1063642567 /nfs/dbraw/zinc/64/25/67/1063642567.db2.gz COHXSEQKZVBTCM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493209812 1063642573 /nfs/dbraw/zinc/64/25/73/1063642573.db2.gz COHXSEQKZVBTCM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001493209812 1063642581 /nfs/dbraw/zinc/64/25/81/1063642581.db2.gz COHXSEQKZVBTCM-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001493905310 1064017960 /nfs/dbraw/zinc/01/79/60/1064017960.db2.gz NFGQQSRZNQCWND-KRWDZBQOSA-N 2 1 303.450 2.350 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001567455970 1064205862 /nfs/dbraw/zinc/20/58/62/1064205862.db2.gz NXYOUGACTBOANI-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001567455970 1064205868 /nfs/dbraw/zinc/20/58/68/1064205868.db2.gz NXYOUGACTBOANI-SFHVURJKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001567652223 1064317862 /nfs/dbraw/zinc/31/78/62/1064317862.db2.gz QRSFKVGZZYTBFT-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001567652223 1064317878 /nfs/dbraw/zinc/31/78/78/1064317878.db2.gz QRSFKVGZZYTBFT-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001567652223 1064317901 /nfs/dbraw/zinc/31/79/01/1064317901.db2.gz QRSFKVGZZYTBFT-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001567661050 1064325866 /nfs/dbraw/zinc/32/58/66/1064325866.db2.gz PKXPHQMCXVSUDU-QZTJIDSGSA-N 2 1 315.461 2.494 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001567693321 1064349869 /nfs/dbraw/zinc/34/98/69/1064349869.db2.gz NITRKHWAKLMCJY-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567712950 1064370319 /nfs/dbraw/zinc/37/03/19/1064370319.db2.gz SDLVCTPRTNIKFP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567712950 1064370333 /nfs/dbraw/zinc/37/03/33/1064370333.db2.gz SDLVCTPRTNIKFP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567712950 1064370340 /nfs/dbraw/zinc/37/03/40/1064370340.db2.gz SDLVCTPRTNIKFP-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567942160 1064544853 /nfs/dbraw/zinc/54/48/53/1064544853.db2.gz LFMZYVXYXAZWGQ-DLBZAZTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567976830 1064575887 /nfs/dbraw/zinc/57/58/87/1064575887.db2.gz KQGSLOPWSNDOJW-WMLDXEAASA-N 2 1 313.461 2.259 20 30 DEEDMP C#CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@H]1C ZINC001568043883 1064615023 /nfs/dbraw/zinc/61/50/23/1064615023.db2.gz QEVFAFQCGMPICH-AEFFLSMTSA-N 2 1 307.482 2.005 20 30 DEEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC001568120808 1064656695 /nfs/dbraw/zinc/65/66/95/1064656695.db2.gz CHFNLHGOWQMGOH-OAHLLOKOSA-N 2 1 324.428 2.018 20 30 DEEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001495278337 1064802525 /nfs/dbraw/zinc/80/25/25/1064802525.db2.gz HPLDKOWUWMSFFK-APWZRJJASA-N 2 1 319.493 2.006 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001568412279 1064849004 /nfs/dbraw/zinc/84/90/04/1064849004.db2.gz QFKXBEPGMVCPCZ-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001568435077 1064870631 /nfs/dbraw/zinc/87/06/31/1064870631.db2.gz WROGLATXDWRONC-RDJZCZTQSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001568485404 1064904419 /nfs/dbraw/zinc/90/44/19/1064904419.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001568485404 1064904433 /nfs/dbraw/zinc/90/44/33/1064904433.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001568485404 1064904444 /nfs/dbraw/zinc/90/44/44/1064904444.db2.gz VDKRKGSXNPVUHS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496082375 1065267178 /nfs/dbraw/zinc/26/71/78/1065267178.db2.gz ZBICWGXGACVRJY-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496082375 1065267189 /nfs/dbraw/zinc/26/71/89/1065267189.db2.gz ZBICWGXGACVRJY-WMZOPIPTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001569239932 1065387639 /nfs/dbraw/zinc/38/76/39/1065387639.db2.gz NZKYFVHMPJIVJM-UHFFFAOYSA-N 2 1 303.878 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001569247391 1065393806 /nfs/dbraw/zinc/39/38/06/1065393806.db2.gz NOUDERPQNGYIPI-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001569466498 1065524381 /nfs/dbraw/zinc/52/43/81/1065524381.db2.gz BIJZKIFWPFXPQZ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001569466498 1065524395 /nfs/dbraw/zinc/52/43/95/1065524395.db2.gz BIJZKIFWPFXPQZ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001569466498 1065524405 /nfs/dbraw/zinc/52/44/05/1065524405.db2.gz BIJZKIFWPFXPQZ-HKUYNNGSSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC2CC2)CC1 ZINC001569598051 1065614431 /nfs/dbraw/zinc/61/44/31/1065614431.db2.gz UYTYRDSPKSTQJZ-UHFFFAOYSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569715729 1065687492 /nfs/dbraw/zinc/68/74/92/1065687492.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569715729 1065687499 /nfs/dbraw/zinc/68/74/99/1065687499.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569715729 1065687504 /nfs/dbraw/zinc/68/75/04/1065687504.db2.gz QCYNQOVRKYEKKH-HKUYNNGSSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001569985652 1065862309 /nfs/dbraw/zinc/86/23/09/1065862309.db2.gz VOBJDFACMLJHIS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001570274525 1066000591 /nfs/dbraw/zinc/00/05/91/1066000591.db2.gz FPGWMDQVXYHPNH-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001570274525 1066000598 /nfs/dbraw/zinc/00/05/98/1066000598.db2.gz FPGWMDQVXYHPNH-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001570274525 1066000603 /nfs/dbraw/zinc/00/06/03/1066000603.db2.gz FPGWMDQVXYHPNH-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001499482347 1067234803 /nfs/dbraw/zinc/23/48/03/1067234803.db2.gz VAFUTQTUTCUDFZ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001499482347 1067234812 /nfs/dbraw/zinc/23/48/12/1067234812.db2.gz VAFUTQTUTCUDFZ-ROUUACIJSA-N 2 1 319.493 2.053 20 30 DEEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267014671 1078502001 /nfs/dbraw/zinc/50/20/01/1078502001.db2.gz LWNXZMWFPFFKMP-INIZCTEOSA-N 2 1 306.454 2.352 20 30 DEEDMP N#Cc1ccc(C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC001580066757 1067487775 /nfs/dbraw/zinc/48/77/75/1067487775.db2.gz SOFXIFMWIVNEGF-MOPGFXCFSA-N 2 1 311.429 2.291 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570544595 1067997296 /nfs/dbraw/zinc/99/72/96/1067997296.db2.gz ZJVWWDNSDRLZDX-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570544595 1067997299 /nfs/dbraw/zinc/99/72/99/1067997299.db2.gz ZJVWWDNSDRLZDX-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001570544595 1067997300 /nfs/dbraw/zinc/99/73/00/1067997300.db2.gz ZJVWWDNSDRLZDX-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570689355 1068069284 /nfs/dbraw/zinc/06/92/84/1068069284.db2.gz WGNAVYXTPXSESY-CVEARBPZSA-N 2 1 309.498 2.367 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001422061083 1078644786 /nfs/dbraw/zinc/64/47/86/1078644786.db2.gz PKVJYXBMSDYWMA-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710067 1068085225 /nfs/dbraw/zinc/08/52/25/1068085225.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710067 1068085240 /nfs/dbraw/zinc/08/52/40/1068085240.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710067 1068085252 /nfs/dbraw/zinc/08/52/52/1068085252.db2.gz ASXDWQVIIAAVQX-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178943 /nfs/dbraw/zinc/17/89/43/1068178943.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178949 /nfs/dbraw/zinc/17/89/49/1068178949.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001571068038 1068178957 /nfs/dbraw/zinc/17/89/57/1068178957.db2.gz DQYQSWQFBSNAJF-HDICACEKSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001571336493 1068230604 /nfs/dbraw/zinc/23/06/04/1068230604.db2.gz XIBDZTZHOCOYNT-OAHLLOKOSA-N 2 1 304.438 2.161 20 30 DEEDMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001571373881 1068257857 /nfs/dbraw/zinc/25/78/57/1068257857.db2.gz QJUDRJZCKFLTOG-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)c(F)c1 ZINC001571704358 1068491668 /nfs/dbraw/zinc/49/16/68/1068491668.db2.gz QTXLWOZZICYPMU-UHFFFAOYSA-N 2 1 321.440 2.448 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483668162 1078766824 /nfs/dbraw/zinc/76/68/24/1078766824.db2.gz SLJHRCIUVHORLC-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267474530 1078894063 /nfs/dbraw/zinc/89/40/63/1078894063.db2.gz ISBAVWJJIRSGTK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267474530 1078894070 /nfs/dbraw/zinc/89/40/70/1078894070.db2.gz ISBAVWJJIRSGTK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267474530 1078894075 /nfs/dbraw/zinc/89/40/75/1078894075.db2.gz ISBAVWJJIRSGTK-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267537420 1078967199 /nfs/dbraw/zinc/96/71/99/1078967199.db2.gz IPTAWRVWVOKESN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267537420 1078967203 /nfs/dbraw/zinc/96/72/03/1078967203.db2.gz IPTAWRVWVOKESN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267537420 1078967208 /nfs/dbraw/zinc/96/72/08/1078967208.db2.gz IPTAWRVWVOKESN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001267566752 1079001229 /nfs/dbraw/zinc/00/12/29/1079001229.db2.gz GNMZPYWLRILLAW-OAHLLOKOSA-N 2 1 304.438 2.055 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674040 1079110462 /nfs/dbraw/zinc/11/04/62/1079110462.db2.gz TZROKSXPKGGPBW-GOSISDBHSA-N 2 1 310.401 2.316 20 30 DEEDMP C=CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272674040 1079110466 /nfs/dbraw/zinc/11/04/66/1079110466.db2.gz TZROKSXPKGGPBW-GOSISDBHSA-N 2 1 310.401 2.316 20 30 DEEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001483817575 1079131842 /nfs/dbraw/zinc/13/18/42/1079131842.db2.gz RAHRBRZYMZHXDO-UHFFFAOYSA-N 2 1 316.449 2.231 20 30 DEEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC(C)C)CC1 ZINC001483980595 1079223842 /nfs/dbraw/zinc/22/38/42/1079223842.db2.gz LEWLVRUJXMYNRJ-GOSISDBHSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481127657 1079225725 /nfs/dbraw/zinc/22/57/25/1079225725.db2.gz ZNFOGCIYWPVHPE-IRXDYDNUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001484124923 1079314095 /nfs/dbraw/zinc/31/40/95/1079314095.db2.gz KPBDKVHJSAIWSA-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267657829 1079348538 /nfs/dbraw/zinc/34/85/38/1079348538.db2.gz FVFQUEDUBOGMGV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657829 1079348546 /nfs/dbraw/zinc/34/85/46/1079348546.db2.gz FVFQUEDUBOGMGV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267657829 1079348553 /nfs/dbraw/zinc/34/85/53/1079348553.db2.gz FVFQUEDUBOGMGV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267680971 1079370100 /nfs/dbraw/zinc/37/01/00/1079370100.db2.gz DRVMCRWNHWEJNI-NVXWUHKLSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC(N(CCC)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001566699953 1075320209 /nfs/dbraw/zinc/32/02/09/1075320209.db2.gz PNDPVVCMGKHVLP-UHFFFAOYSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001566912866 1075383168 /nfs/dbraw/zinc/38/31/68/1075383168.db2.gz ZZSUCHNTZVLDJE-HKUYNNGSSA-N 2 1 319.493 2.267 20 30 DEEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267898947 1079585425 /nfs/dbraw/zinc/58/54/25/1079585425.db2.gz YEQQXQXYCFXUAF-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267959050 1079638871 /nfs/dbraw/zinc/63/88/71/1079638871.db2.gz LOFUCUUACSVRCQ-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001484527749 1079641685 /nfs/dbraw/zinc/64/16/85/1079641685.db2.gz XXWJXGNDVRMNLS-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268001149 1079682663 /nfs/dbraw/zinc/68/26/63/1079682663.db2.gz WVHIJTHRCXYTGO-FUHWJXTLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001484721489 1079758071 /nfs/dbraw/zinc/75/80/71/1079758071.db2.gz JDHZDKCMLYUWRG-JKSUJKDBSA-N 2 1 304.438 2.381 20 30 DEEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001484768546 1079794724 /nfs/dbraw/zinc/79/47/24/1079794724.db2.gz ASLMIPYNAUKWTE-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001484768546 1079794728 /nfs/dbraw/zinc/79/47/28/1079794728.db2.gz ASLMIPYNAUKWTE-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001484876657 1079832809 /nfs/dbraw/zinc/83/28/09/1079832809.db2.gz OTRJLYFXMPTPQO-BBWFWOEESA-N 2 1 307.482 2.406 20 30 DEEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001268221493 1080205829 /nfs/dbraw/zinc/20/58/29/1080205829.db2.gz CTKZTKUSBANJCY-IAGOWNOFSA-N 2 1 307.482 2.003 20 30 DEEDMP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001485455536 1080217066 /nfs/dbraw/zinc/21/70/66/1080217066.db2.gz NWGQXNHBMIISTI-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCC)C2)CC1 ZINC001268236690 1080219175 /nfs/dbraw/zinc/21/91/75/1080219175.db2.gz MWTNSAGQHDNLEM-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485467436 1080222779 /nfs/dbraw/zinc/22/27/79/1080222779.db2.gz CMNUICXTMPXGPD-YESZJQIVSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001660714931 1080385567 /nfs/dbraw/zinc/38/55/67/1080385567.db2.gz CHIGOVDXTIZKNY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001660714931 1080385576 /nfs/dbraw/zinc/38/55/76/1080385576.db2.gz CHIGOVDXTIZKNY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001660714931 1080385582 /nfs/dbraw/zinc/38/55/82/1080385582.db2.gz CHIGOVDXTIZKNY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001485767977 1080422887 /nfs/dbraw/zinc/42/28/87/1080422887.db2.gz VONNSCXWBMZZOB-UHFFFAOYSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099547762 1080482997 /nfs/dbraw/zinc/48/29/97/1080482997.db2.gz KSKWGVDPSIDTMB-MHORFTMASA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001661925793 1080546085 /nfs/dbraw/zinc/54/60/85/1080546085.db2.gz NOQZTPQTXVGUTO-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001662862247 1080669672 /nfs/dbraw/zinc/66/96/72/1080669672.db2.gz KGMODMHRKVFGPI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001662862247 1080669677 /nfs/dbraw/zinc/66/96/77/1080669677.db2.gz KGMODMHRKVFGPI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001662862247 1080669684 /nfs/dbraw/zinc/66/96/84/1080669684.db2.gz KGMODMHRKVFGPI-QZTJIDSGSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001482070944 1080776136 /nfs/dbraw/zinc/77/61/36/1080776136.db2.gz YFTHFCRRBAYBAT-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001663587592 1080782705 /nfs/dbraw/zinc/78/27/05/1080782705.db2.gz NRUDWTQBCKHGRL-JKSUJKDBSA-N 2 1 318.465 2.411 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001663587592 1080782709 /nfs/dbraw/zinc/78/27/09/1080782709.db2.gz NRUDWTQBCKHGRL-JKSUJKDBSA-N 2 1 318.465 2.411 20 30 DEEDMP CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001665429067 1081028277 /nfs/dbraw/zinc/02/82/77/1081028277.db2.gz PTMDEGNTVPYAON-IRXDYDNUSA-N 2 1 318.465 2.447 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001665429067 1081028281 /nfs/dbraw/zinc/02/82/81/1081028281.db2.gz PTMDEGNTVPYAON-IRXDYDNUSA-N 2 1 318.465 2.447 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001666275231 1081139254 /nfs/dbraw/zinc/13/92/54/1081139254.db2.gz RCQQIDBMOYWSKU-QAETUUGQSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001006446050 1081176521 /nfs/dbraw/zinc/17/65/21/1081176521.db2.gz SMWMAVDYXLNRHF-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000949800362 1081204003 /nfs/dbraw/zinc/20/40/03/1081204003.db2.gz IDVOYBMDIPFGQJ-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001667278574 1081232656 /nfs/dbraw/zinc/23/26/56/1081232656.db2.gz AQICYEPHSCRWGH-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950089893 1081268274 /nfs/dbraw/zinc/26/82/74/1081268274.db2.gz PWSXRXPRWNZMHG-DLBZAZTESA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111309716 1081292569 /nfs/dbraw/zinc/29/25/69/1081292569.db2.gz WDAPJCQEGMBXEA-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309716 1081292575 /nfs/dbraw/zinc/29/25/75/1081292575.db2.gz WDAPJCQEGMBXEA-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309716 1081292581 /nfs/dbraw/zinc/29/25/81/1081292581.db2.gz WDAPJCQEGMBXEA-HZMVEIRTSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668321108 1081341017 /nfs/dbraw/zinc/34/10/17/1081341017.db2.gz WRQUUJMURYLQHE-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001270118453 1081454490 /nfs/dbraw/zinc/45/44/90/1081454490.db2.gz PHVQALJJFKTQHS-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCC)CC1 ZINC001671842145 1081542444 /nfs/dbraw/zinc/54/24/44/1081542444.db2.gz DWHGVMVMLWOIHF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCC)CC1 ZINC001671842145 1081542448 /nfs/dbraw/zinc/54/24/48/1081542448.db2.gz DWHGVMVMLWOIHF-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671916451 1081550182 /nfs/dbraw/zinc/55/01/82/1081550182.db2.gz LXPDVZCTVVMBMJ-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671916451 1081550191 /nfs/dbraw/zinc/55/01/91/1081550191.db2.gz LXPDVZCTVVMBMJ-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671916451 1081550196 /nfs/dbraw/zinc/55/01/96/1081550196.db2.gz LXPDVZCTVVMBMJ-SJLPKXTDSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001672567460 1081611745 /nfs/dbraw/zinc/61/17/45/1081611745.db2.gz DUDCEVQAXVGWBM-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001270803928 1081718788 /nfs/dbraw/zinc/71/87/88/1081718788.db2.gz BRKDBTHIBFWEAP-SFHVURJKSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC001673175076 1081743933 /nfs/dbraw/zinc/74/39/33/1081743933.db2.gz DDABPFYXBXSSOH-KRWDZBQOSA-N 2 1 317.477 2.045 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001673218277 1081747311 /nfs/dbraw/zinc/74/73/11/1081747311.db2.gz JGMWEIQEMASUTJ-HOTGVXAUSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001673639240 1081787802 /nfs/dbraw/zinc/78/78/02/1081787802.db2.gz FVRLIIMVRWNHBS-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001673639240 1081787809 /nfs/dbraw/zinc/78/78/09/1081787809.db2.gz FVRLIIMVRWNHBS-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001673639240 1081787815 /nfs/dbraw/zinc/78/78/15/1081787815.db2.gz FVRLIIMVRWNHBS-IEBWSBKVSA-N 2 1 319.493 2.361 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001482405712 1081797627 /nfs/dbraw/zinc/79/76/27/1081797627.db2.gz GCMOUJCPMJKLPO-NXHRZFHOSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673933294 1081815081 /nfs/dbraw/zinc/81/50/81/1081815081.db2.gz HAHPTDZDCQLPPU-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001673933294 1081815086 /nfs/dbraw/zinc/81/50/86/1081815086.db2.gz HAHPTDZDCQLPPU-WMZOPIPTSA-N 2 1 315.461 2.131 20 30 DEEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001674224346 1081851758 /nfs/dbraw/zinc/85/17/58/1081851758.db2.gz MSYMBGJRCGZTBW-WMZOPIPTSA-N 2 1 319.493 2.291 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266252451 1081917535 /nfs/dbraw/zinc/91/75/35/1081917535.db2.gz ULKCQDFPENBVRR-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266893562 1082436161 /nfs/dbraw/zinc/43/61/61/1082436161.db2.gz CMJAZVSCHWTKEQ-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482833169 1082524601 /nfs/dbraw/zinc/52/46/01/1082524601.db2.gz ZEMFCLYFZJBLBU-UONOGXRCSA-N 2 1 301.862 2.096 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001272152257 1082607283 /nfs/dbraw/zinc/60/72/83/1082607283.db2.gz SBHSKZIVNAOIPD-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001272152257 1082607286 /nfs/dbraw/zinc/60/72/86/1082607286.db2.gz SBHSKZIVNAOIPD-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001272152257 1082607290 /nfs/dbraw/zinc/60/72/90/1082607290.db2.gz SBHSKZIVNAOIPD-GOSISDBHSA-N 2 1 315.461 2.093 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001272216876 1082677582 /nfs/dbraw/zinc/67/75/82/1082677582.db2.gz XYUSKCHZIOWHDC-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130011 1084095666 /nfs/dbraw/zinc/09/56/66/1084095666.db2.gz KNEZJLKWWGELRG-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001491130011 1084095677 /nfs/dbraw/zinc/09/56/77/1084095677.db2.gz KNEZJLKWWGELRG-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491298167 1084220998 /nfs/dbraw/zinc/22/09/98/1084220998.db2.gz UTXFLZFDEAVJQO-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001272837707 1084361259 /nfs/dbraw/zinc/36/12/59/1084361259.db2.gz LBXAOHHRWWLARI-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001272837707 1084361270 /nfs/dbraw/zinc/36/12/70/1084361270.db2.gz LBXAOHHRWWLARI-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937457 1084387691 /nfs/dbraw/zinc/38/76/91/1084387691.db2.gz FCNCTDVRAJSVBM-RHSMWYFYSA-N 2 1 313.461 2.212 20 30 DEEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001486376481 1085247910 /nfs/dbraw/zinc/24/79/10/1085247910.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001486376481 1085247920 /nfs/dbraw/zinc/24/79/20/1085247920.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001486376481 1085247931 /nfs/dbraw/zinc/24/79/31/1085247931.db2.gz FSMNFOFGJWVEBK-IRXDYDNUSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961181311 1085626922 /nfs/dbraw/zinc/62/69/22/1085626922.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181311 1085626927 /nfs/dbraw/zinc/62/69/27/1085626927.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961181311 1085626933 /nfs/dbraw/zinc/62/69/33/1085626933.db2.gz JDAPGCMIWHGABT-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966075277 1085779593 /nfs/dbraw/zinc/77/95/93/1085779593.db2.gz KEUIACUVOFUYQP-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001493211119 1085894868 /nfs/dbraw/zinc/89/48/68/1085894868.db2.gz GMENGSQKIJJASL-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493211119 1085894887 /nfs/dbraw/zinc/89/48/87/1085894887.db2.gz GMENGSQKIJJASL-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001493211119 1085894907 /nfs/dbraw/zinc/89/49/07/1085894907.db2.gz GMENGSQKIJJASL-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963315804 1086404911 /nfs/dbraw/zinc/40/49/11/1086404911.db2.gz YZGDYAKXSRPJNM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315804 1086404922 /nfs/dbraw/zinc/40/49/22/1086404922.db2.gz YZGDYAKXSRPJNM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963315804 1086404929 /nfs/dbraw/zinc/40/49/29/1086404929.db2.gz YZGDYAKXSRPJNM-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963417583 1086448461 /nfs/dbraw/zinc/44/84/61/1086448461.db2.gz NXTXQIBUGDEVFH-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416433 1086448580 /nfs/dbraw/zinc/44/85/80/1086448580.db2.gz LHQQKCRSYZSGBH-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419921 1086449961 /nfs/dbraw/zinc/44/99/61/1086449961.db2.gz WMOXVSTXXQCUTH-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419921 1086449971 /nfs/dbraw/zinc/44/99/71/1086449971.db2.gz WMOXVSTXXQCUTH-IRXDYDNUSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000963823439 1086569020 /nfs/dbraw/zinc/56/90/20/1086569020.db2.gz KMBUDLVDXAJZJS-HGWOHTHGSA-N 2 1 319.493 2.310 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001273143222 1086664931 /nfs/dbraw/zinc/66/49/31/1086664931.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143222 1086664934 /nfs/dbraw/zinc/66/49/34/1086664934.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143222 1086664940 /nfs/dbraw/zinc/66/49/40/1086664940.db2.gz DEJXMMURIBEQHY-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754312 1089174555 /nfs/dbraw/zinc/17/45/55/1089174555.db2.gz HDNAWRBULIOHDC-CRAIPNDOSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001082612336 1090020425 /nfs/dbraw/zinc/02/04/25/1090020425.db2.gz ICDMGFWJVRZWCD-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422027 1090285612 /nfs/dbraw/zinc/28/56/12/1090285612.db2.gz IVGJTYGRDAJEDN-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422027 1090285617 /nfs/dbraw/zinc/28/56/17/1090285617.db2.gz IVGJTYGRDAJEDN-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422027 1090285621 /nfs/dbraw/zinc/28/56/21/1090285621.db2.gz IVGJTYGRDAJEDN-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664342 1090376417 /nfs/dbraw/zinc/37/64/17/1090376417.db2.gz RORVATWDTPZXGM-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664342 1090376423 /nfs/dbraw/zinc/37/64/23/1090376423.db2.gz RORVATWDTPZXGM-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664342 1090376429 /nfs/dbraw/zinc/37/64/29/1090376429.db2.gz RORVATWDTPZXGM-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964763 1090550091 /nfs/dbraw/zinc/55/00/91/1090550091.db2.gz OYXQSGGZOLDTRQ-IKGGRYGDSA-N 2 1 307.482 2.072 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001274623872 1091335975 /nfs/dbraw/zinc/33/59/75/1091335975.db2.gz NRTUZSIRNOBEKD-CABCVRRESA-N 2 1 304.438 2.278 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@H]1C ZINC001274623872 1091335984 /nfs/dbraw/zinc/33/59/84/1091335984.db2.gz NRTUZSIRNOBEKD-CABCVRRESA-N 2 1 304.438 2.278 20 30 DEEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276043108 1091474536 /nfs/dbraw/zinc/47/45/36/1091474536.db2.gz TUTOTQMKSBOQOA-OALUTQOASA-N 2 1 323.525 2.460 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001275183585 1091605445 /nfs/dbraw/zinc/60/54/45/1091605445.db2.gz GTSJKYCLQDRNPU-SJORKVTESA-N 2 1 307.482 2.075 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673701 1091877844 /nfs/dbraw/zinc/87/78/44/1091877844.db2.gz GMWOOEDIUXNVJB-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542263 1091959137 /nfs/dbraw/zinc/95/91/37/1091959137.db2.gz FWOKOTYBJHMJCV-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001489338074 1093025147 /nfs/dbraw/zinc/02/51/47/1093025147.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001489338074 1093025151 /nfs/dbraw/zinc/02/51/51/1093025151.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001489338074 1093025156 /nfs/dbraw/zinc/02/51/56/1093025156.db2.gz GXSSPXYHFOEJAB-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCCC)[C@@H]2C)CC1 ZINC001489312238 1093035503 /nfs/dbraw/zinc/03/55/03/1093035503.db2.gz WWBJBWKNESMFLI-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001490348736 1093295664 /nfs/dbraw/zinc/29/56/64/1093295664.db2.gz HCIOFQPATAXARJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001490348736 1093295669 /nfs/dbraw/zinc/29/56/69/1093295669.db2.gz HCIOFQPATAXARJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001490348736 1093295677 /nfs/dbraw/zinc/29/56/77/1093295677.db2.gz HCIOFQPATAXARJ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001490412354 1093368003 /nfs/dbraw/zinc/36/80/03/1093368003.db2.gz LLRZPMFAVZMJJW-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001490800811 1093609959 /nfs/dbraw/zinc/60/99/59/1093609959.db2.gz WMTLXNQIHSRFPH-CALCHBBNSA-N 2 1 316.449 2.223 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001490800811 1093609963 /nfs/dbraw/zinc/60/99/63/1093609963.db2.gz WMTLXNQIHSRFPH-CALCHBBNSA-N 2 1 316.449 2.223 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001691732610 1138215906 /nfs/dbraw/zinc/21/59/06/1138215906.db2.gz LWMWLQHZOKVSHK-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001691732610 1138215911 /nfs/dbraw/zinc/21/59/11/1138215911.db2.gz LWMWLQHZOKVSHK-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP CC#CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001691732610 1138215917 /nfs/dbraw/zinc/21/59/17/1138215917.db2.gz LWMWLQHZOKVSHK-KRWDZBQOSA-N 2 1 307.482 2.101 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C(C)C)C2 ZINC001096090728 1138278585 /nfs/dbraw/zinc/27/85/85/1138278585.db2.gz RMZRBUIZHJTPRP-PMPSAXMXSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090728 1138278591 /nfs/dbraw/zinc/27/85/91/1138278591.db2.gz RMZRBUIZHJTPRP-PMPSAXMXSA-N 2 1 316.449 2.304 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090728 1138278596 /nfs/dbraw/zinc/27/85/96/1138278596.db2.gz RMZRBUIZHJTPRP-PMPSAXMXSA-N 2 1 316.449 2.304 20 30 DEEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668490 1140294803 /nfs/dbraw/zinc/29/48/03/1140294803.db2.gz IDXILUHHLKEJND-KRWDZBQOSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491799932 1140314969 /nfs/dbraw/zinc/31/49/69/1140314969.db2.gz BBIKLSMGBJTWGT-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318474058 1140342191 /nfs/dbraw/zinc/34/21/91/1140342191.db2.gz RBNXZOLUPNLNIN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318474058 1140342199 /nfs/dbraw/zinc/34/21/99/1140342199.db2.gz RBNXZOLUPNLNIN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001318474058 1140342209 /nfs/dbraw/zinc/34/22/09/1140342209.db2.gz RBNXZOLUPNLNIN-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318829252 1140429715 /nfs/dbraw/zinc/42/97/15/1140429715.db2.gz XQRNDOWEBBJMHC-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001318838053 1140431585 /nfs/dbraw/zinc/43/15/85/1140431585.db2.gz SUFIZCGVYGMDDS-KRWDZBQOSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001319378886 1140559291 /nfs/dbraw/zinc/55/92/91/1140559291.db2.gz IHYHODDIXCYPGT-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCC1 ZINC001319378572 1140560018 /nfs/dbraw/zinc/56/00/18/1140560018.db2.gz DHQQCPMRPYDLBO-SJORKVTESA-N 2 1 317.477 2.045 20 30 DEEDMP CCCCCCCC[C@H](O)C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246024266 1140848458 /nfs/dbraw/zinc/84/84/58/1140848458.db2.gz HDLGVFAUGWMFKU-FGTMMUONSA-N 2 1 312.498 2.408 20 30 DEEDMP N#Cc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246441558 1140899263 /nfs/dbraw/zinc/89/92/63/1140899263.db2.gz IYRQADKZAAWPLE-FHWLQOOXSA-N 3 1 312.461 2.382 20 30 DEEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001246441558 1140899265 /nfs/dbraw/zinc/89/92/65/1140899265.db2.gz IYRQADKZAAWPLE-FHWLQOOXSA-N 3 1 312.461 2.382 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001323241096 1141831530 /nfs/dbraw/zinc/83/15/30/1141831530.db2.gz FGEISGYBDULYIT-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001323241096 1141831531 /nfs/dbraw/zinc/83/15/31/1141831531.db2.gz FGEISGYBDULYIT-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001278693560 1142840114 /nfs/dbraw/zinc/84/01/14/1142840114.db2.gz MXZBMUSGIOVFAW-GOSISDBHSA-N 2 1 307.482 2.267 20 30 DEEDMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[C@@H](C#N)C2)c2c1CC[NH2+]C2 ZINC001254657673 1143301379 /nfs/dbraw/zinc/30/13/79/1143301379.db2.gz FAIRSBMEORORCP-KGLIPLIRSA-N 2 1 301.438 2.234 20 30 DEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001256202454 1143834981 /nfs/dbraw/zinc/83/49/81/1143834981.db2.gz DZDHECAEFROFLX-SFHVURJKSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001256202454 1143834982 /nfs/dbraw/zinc/83/49/82/1143834982.db2.gz DZDHECAEFROFLX-SFHVURJKSA-N 2 1 321.465 2.191 20 30 DEEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001256202454 1143834983 /nfs/dbraw/zinc/83/49/83/1143834983.db2.gz DZDHECAEFROFLX-SFHVURJKSA-N 2 1 321.465 2.191 20 30 DEEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](NC(=O)C[NH+](C)C)C3)C[C@H](C1)C2 ZINC001257893891 1143958551 /nfs/dbraw/zinc/95/85/51/1143958551.db2.gz CIRLPZWOKAQKQQ-SOABOVLPSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](NC(=O)C[NH+](C)C)C3)C[C@H](C1)C2 ZINC001257893891 1143958554 /nfs/dbraw/zinc/95/85/54/1143958554.db2.gz CIRLPZWOKAQKQQ-SOABOVLPSA-N 2 1 319.493 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001264154466 1144488732 /nfs/dbraw/zinc/48/87/32/1144488732.db2.gz YQGIMPFGXUORBA-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001264154466 1144488748 /nfs/dbraw/zinc/48/87/48/1144488748.db2.gz YQGIMPFGXUORBA-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001264154466 1144488762 /nfs/dbraw/zinc/48/87/62/1144488762.db2.gz YQGIMPFGXUORBA-AEFFLSMTSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001264373061 1144517935 /nfs/dbraw/zinc/51/79/35/1144517935.db2.gz QWOXHEZFEADPQK-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001264429535 1144538559 /nfs/dbraw/zinc/53/85/59/1144538559.db2.gz QTILPBVTKGRKJV-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001265085201 1144639779 /nfs/dbraw/zinc/63/97/79/1144639779.db2.gz BQVFRRSQJQSHSM-CVEARBPZSA-N 2 1 304.438 2.127 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390589 1144701705 /nfs/dbraw/zinc/70/17/05/1144701705.db2.gz ILHMMLDBECXJMN-IAGOWNOFSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265587142 1144715447 /nfs/dbraw/zinc/71/54/47/1144715447.db2.gz WWBRPQQEVMMZIA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265587142 1144715449 /nfs/dbraw/zinc/71/54/49/1144715449.db2.gz WWBRPQQEVMMZIA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001265587142 1144715451 /nfs/dbraw/zinc/71/54/51/1144715451.db2.gz WWBRPQQEVMMZIA-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265696631 1144729825 /nfs/dbraw/zinc/72/98/25/1144729825.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696631 1144729830 /nfs/dbraw/zinc/72/98/30/1144729830.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001265696631 1144729833 /nfs/dbraw/zinc/72/98/33/1144729833.db2.gz JGDULFMPUSUUAJ-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266067097 1144802283 /nfs/dbraw/zinc/80/22/83/1144802283.db2.gz IOZFQCLNDIAIJO-HZPDHXFCSA-N 2 1 307.482 2.005 20 30 DEEDMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266169551 1144811472 /nfs/dbraw/zinc/81/14/72/1144811472.db2.gz CGPANIHRTBMADJ-ZBFHGGJFSA-N 2 1 318.465 2.205 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001279624396 1144826311 /nfs/dbraw/zinc/82/63/11/1144826311.db2.gz JGBIXNBPJNEYSU-RCCFBDPRSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001281683061 1144907463 /nfs/dbraw/zinc/90/74/63/1144907463.db2.gz MIWPDTXBEBANDB-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001281834068 1144916148 /nfs/dbraw/zinc/91/61/48/1144916148.db2.gz UDISNCCBFZOHJH-UHFFFAOYSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001282084109 1144963188 /nfs/dbraw/zinc/96/31/88/1144963188.db2.gz MNYDFCIWGYXZGK-VJFUWPCTSA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001282677790 1145122726 /nfs/dbraw/zinc/12/27/26/1145122726.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001282677790 1145122730 /nfs/dbraw/zinc/12/27/30/1145122730.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001282677790 1145122733 /nfs/dbraw/zinc/12/27/33/1145122733.db2.gz HOFWPDVZMDQGQP-KRWDZBQOSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001282860889 1145180548 /nfs/dbraw/zinc/18/05/48/1145180548.db2.gz KEULSLMXJLCTTG-LEUOFYLZSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001282860889 1145180543 /nfs/dbraw/zinc/18/05/43/1145180543.db2.gz KEULSLMXJLCTTG-LEUOFYLZSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001282860889 1145180546 /nfs/dbraw/zinc/18/05/46/1145180546.db2.gz KEULSLMXJLCTTG-LEUOFYLZSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001283340036 1145368761 /nfs/dbraw/zinc/36/87/61/1145368761.db2.gz FFGLGJQICMSLST-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001283340036 1145368765 /nfs/dbraw/zinc/36/87/65/1145368765.db2.gz FFGLGJQICMSLST-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001283340036 1145368774 /nfs/dbraw/zinc/36/87/74/1145368774.db2.gz FFGLGJQICMSLST-HOTGVXAUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001492154679 1147102166 /nfs/dbraw/zinc/10/21/66/1147102166.db2.gz RJEKYEQLNQXQBK-QZTJIDSGSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492154678 1147102497 /nfs/dbraw/zinc/10/24/97/1147102497.db2.gz RJEKYEQLNQXQBK-MSOLQXFVSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001366288166 1147193872 /nfs/dbraw/zinc/19/38/72/1147193872.db2.gz OODVVXUQNYEIIE-ZFWWWQNUSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(C)CC[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317472206 1147435356 /nfs/dbraw/zinc/43/53/56/1147435356.db2.gz XNCWGTQIUOFMJR-UHFFFAOYSA-N 2 1 303.450 2.376 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001316741800 1147593294 /nfs/dbraw/zinc/59/32/94/1147593294.db2.gz QSOZNMKSNFKHNL-ZWKOTPCHSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1CC ZINC001316741800 1147593297 /nfs/dbraw/zinc/59/32/97/1147593297.db2.gz QSOZNMKSNFKHNL-ZWKOTPCHSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1CC ZINC001316741800 1147593300 /nfs/dbraw/zinc/59/33/00/1147593300.db2.gz QSOZNMKSNFKHNL-ZWKOTPCHSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1CC ZINC001316741800 1147593302 /nfs/dbraw/zinc/59/33/02/1147593302.db2.gz QSOZNMKSNFKHNL-ZWKOTPCHSA-N 2 1 315.461 2.274 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001316805885 1147603439 /nfs/dbraw/zinc/60/34/39/1147603439.db2.gz IAGYUDMHVRQQPJ-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317038078 1147651309 /nfs/dbraw/zinc/65/13/09/1147651309.db2.gz APZVSWUMQJIVSC-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317038078 1147651311 /nfs/dbraw/zinc/65/13/11/1147651311.db2.gz APZVSWUMQJIVSC-KRWDZBQOSA-N 2 1 318.465 2.328 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001317099375 1147659413 /nfs/dbraw/zinc/65/94/13/1147659413.db2.gz CBDOBWKKZXXHSL-MSOLQXFVSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317113208 1147661237 /nfs/dbraw/zinc/66/12/37/1147661237.db2.gz IANHHHADZPGELL-IXDOHACOSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001367223349 1147666172 /nfs/dbraw/zinc/66/61/72/1147666172.db2.gz WXXUZCFDVKKFMJ-SOUVJXGZSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317173663 1147670664 /nfs/dbraw/zinc/67/06/64/1147670664.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317173663 1147670665 /nfs/dbraw/zinc/67/06/65/1147670665.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317173663 1147670666 /nfs/dbraw/zinc/67/06/66/1147670666.db2.gz PWGNMICSBSGMJY-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001317186093 1147672963 /nfs/dbraw/zinc/67/29/63/1147672963.db2.gz HMFUZIANPZZJBA-HZPDHXFCSA-N 2 1 316.449 2.001 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317526397 1147720385 /nfs/dbraw/zinc/72/03/85/1147720385.db2.gz JERMEHZSEWGJLS-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001317708756 1147746180 /nfs/dbraw/zinc/74/61/80/1147746180.db2.gz NFJWKKMBKRVSSM-SFHVURJKSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001317714977 1147746497 /nfs/dbraw/zinc/74/64/97/1147746497.db2.gz KGWZAEZXBFRYDZ-IRXDYDNUSA-N 2 1 301.434 2.104 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317788567 1147752265 /nfs/dbraw/zinc/75/22/65/1147752265.db2.gz JKCCWTRKQMRZAI-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317847423 1147757597 /nfs/dbraw/zinc/75/75/97/1147757597.db2.gz BXSDACVJXSDVBB-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317847423 1147757598 /nfs/dbraw/zinc/75/75/98/1147757598.db2.gz BXSDACVJXSDVBB-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317847423 1147757600 /nfs/dbraw/zinc/75/76/00/1147757600.db2.gz BXSDACVJXSDVBB-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001318209798 1147797699 /nfs/dbraw/zinc/79/76/99/1147797699.db2.gz PSYXOMONBJHHLP-YESZJQIVSA-N 2 1 307.482 2.336 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001318209798 1147797703 /nfs/dbraw/zinc/79/77/03/1147797703.db2.gz PSYXOMONBJHHLP-YESZJQIVSA-N 2 1 307.482 2.336 20 30 DEEDMP CCCCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001318209798 1147797707 /nfs/dbraw/zinc/79/77/07/1147797707.db2.gz PSYXOMONBJHHLP-YESZJQIVSA-N 2 1 307.482 2.336 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324943367 1147860766 /nfs/dbraw/zinc/86/07/66/1147860766.db2.gz GWVDSKOZPULWNP-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001324943367 1147860768 /nfs/dbraw/zinc/86/07/68/1147860768.db2.gz GWVDSKOZPULWNP-SJLPKXTDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001326491295 1148113678 /nfs/dbraw/zinc/11/36/78/1148113678.db2.gz YUXBNXHFZNGFCQ-HNNXBMFYSA-N 2 1 324.428 2.182 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001326603293 1148160044 /nfs/dbraw/zinc/16/00/44/1148160044.db2.gz KEHFCAGTSZTIPL-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001327212484 1148348607 /nfs/dbraw/zinc/34/86/07/1148348607.db2.gz IQWANWVGOBZJHA-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001327212484 1148348614 /nfs/dbraw/zinc/34/86/14/1148348614.db2.gz IQWANWVGOBZJHA-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001327212484 1148348621 /nfs/dbraw/zinc/34/86/21/1148348621.db2.gz IQWANWVGOBZJHA-DLBZAZTESA-N 2 1 309.498 2.463 20 30 DEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360283 530052438 /nfs/dbraw/zinc/05/24/38/530052438.db2.gz XYYUTGRLOUZIKN-IAGOWNOFSA-N 2 1 314.433 2.281 20 30 DEEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360283 530052439 /nfs/dbraw/zinc/05/24/39/530052439.db2.gz XYYUTGRLOUZIKN-IAGOWNOFSA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360283 530052440 /nfs/dbraw/zinc/05/24/40/530052440.db2.gz XYYUTGRLOUZIKN-IAGOWNOFSA-N 2 1 314.433 2.281 20 30 DEEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360283 530052441 /nfs/dbraw/zinc/05/24/41/530052441.db2.gz XYYUTGRLOUZIKN-IAGOWNOFSA-N 2 1 314.433 2.281 20 30 DEEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000189978269 186257996 /nfs/dbraw/zinc/25/79/96/186257996.db2.gz OXVVRPOXYOWSSB-INIZCTEOSA-N 2 1 300.450 2.189 20 30 DEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)C1 ZINC000066243147 354705659 /nfs/dbraw/zinc/70/56/59/354705659.db2.gz YICCBVIHDIRYFI-CQSZACIVSA-N 2 1 300.450 2.485 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000581721475 357236603 /nfs/dbraw/zinc/23/66/03/357236603.db2.gz YCTRSTCHGKLOAJ-UHFFFAOYSA-N 2 1 302.422 2.040 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000602556084 360430448 /nfs/dbraw/zinc/43/04/48/360430448.db2.gz QJWKMLSTDMQEKA-NEWSRXKRSA-N 2 1 315.461 2.399 20 30 DEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000602556084 360430451 /nfs/dbraw/zinc/43/04/51/360430451.db2.gz QJWKMLSTDMQEKA-NEWSRXKRSA-N 2 1 315.461 2.399 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC000606371267 361000332 /nfs/dbraw/zinc/00/03/32/361000332.db2.gz FZSGXOJGHJRDME-SJORKVTESA-N 2 1 307.482 2.286 20 30 DEEDMP C=C[C@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000619720097 363864876 /nfs/dbraw/zinc/86/48/76/363864876.db2.gz ADSXAJPGHDGDEY-QGZVFWFLSA-N 2 1 317.433 2.348 20 30 DEEDMP C=C[C@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000619720097 363864880 /nfs/dbraw/zinc/86/48/80/363864880.db2.gz ADSXAJPGHDGDEY-QGZVFWFLSA-N 2 1 317.433 2.348 20 30 DEEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000159991909 197378778 /nfs/dbraw/zinc/37/87/78/197378778.db2.gz VNDRVWAPJLYTRO-CQSZACIVSA-N 2 1 319.424 2.222 20 30 DEEDMP COCC#CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000682533823 542315342 /nfs/dbraw/zinc/31/53/42/542315342.db2.gz LNUMAQMGZRNXDK-DZFIZOCASA-N 2 1 300.446 2.382 20 30 DEEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000120034716 195083774 /nfs/dbraw/zinc/08/37/74/195083774.db2.gz HPWZWNRMNICTEF-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000120034716 195083777 /nfs/dbraw/zinc/08/37/77/195083777.db2.gz HPWZWNRMNICTEF-UHFFFAOYSA-N 2 1 314.433 2.303 20 30 DEEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000320581920 533340194 /nfs/dbraw/zinc/34/01/94/533340194.db2.gz VNFYRRKTEZDKBU-AWEZNQCLSA-N 2 1 314.433 2.159 20 30 DEEDMP C=CC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121216173 402020890 /nfs/dbraw/zinc/02/08/90/402020890.db2.gz XKUAALUAHMMRTL-MRXNPFEDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000152990801 402120967 /nfs/dbraw/zinc/12/09/67/402120967.db2.gz UIQPGVLQXRRGRI-UHFFFAOYSA-N 2 1 301.425 2.346 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1C ZINC000104183178 402199292 /nfs/dbraw/zinc/19/92/92/402199292.db2.gz HAZZDDXGZPHZED-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1C ZINC000104183178 402199294 /nfs/dbraw/zinc/19/92/94/402199294.db2.gz HAZZDDXGZPHZED-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP Cc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1C ZINC000104183178 402199299 /nfs/dbraw/zinc/19/92/99/402199299.db2.gz HAZZDDXGZPHZED-UHFFFAOYSA-N 2 1 317.481 2.058 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000171565914 402595126 /nfs/dbraw/zinc/59/51/26/402595126.db2.gz PCLZUYSKRFWWCA-GOSISDBHSA-N 2 1 315.461 2.446 20 30 DEEDMP C[NH+]=C(NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)NC1CC1 ZINC000264033040 402832481 /nfs/dbraw/zinc/83/24/81/402832481.db2.gz FIKOIKXYVUGYAN-INIZCTEOSA-N 2 1 316.449 2.160 20 30 DEEDMP COc1cccc([C@H](CNC(=[NH2+])N(C)C2CC2)[NH+]2CCCC2)c1 ZINC000273334307 402995345 /nfs/dbraw/zinc/99/53/45/402995345.db2.gz KMUFZWMRNUDHLO-KRWDZBQOSA-N 2 1 316.449 2.241 20 30 DEEDMP N#CCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285419677 403292756 /nfs/dbraw/zinc/29/27/56/403292756.db2.gz BUHGXGHGEFYFBD-IBGZPJMESA-N 2 1 312.461 2.182 20 30 DEEDMP N#CCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285419677 403292757 /nfs/dbraw/zinc/29/27/57/403292757.db2.gz BUHGXGHGEFYFBD-IBGZPJMESA-N 2 1 312.461 2.182 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346847612 403605635 /nfs/dbraw/zinc/60/56/35/403605635.db2.gz DJDRWVYJVZQQFJ-ARFHVFGLSA-N 2 1 302.418 2.429 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000361768008 403853726 /nfs/dbraw/zinc/85/37/26/403853726.db2.gz YEQKLRWTRKHEKQ-DOTOQJQBSA-N 2 1 322.497 2.151 20 30 DEEDMP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H](c2ccccc2)C1 ZINC000329062576 404217147 /nfs/dbraw/zinc/21/71/47/404217147.db2.gz ZOUIQEXQQANXOI-IKGGRYGDSA-N 2 1 324.428 2.500 20 30 DEEDMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2C1 ZINC000424157518 405025545 /nfs/dbraw/zinc/02/55/45/405025545.db2.gz PRMQZEVYVLQCQO-OAHLLOKOSA-N 2 1 300.406 2.372 20 30 DEEDMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2C1 ZINC000424157518 405025547 /nfs/dbraw/zinc/02/55/47/405025547.db2.gz PRMQZEVYVLQCQO-OAHLLOKOSA-N 2 1 300.406 2.372 20 30 DEEDMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424157165 405025624 /nfs/dbraw/zinc/02/56/24/405025624.db2.gz PKXCWAZFXHGCLT-QGZVFWFLSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000445096796 405344955 /nfs/dbraw/zinc/34/49/55/405344955.db2.gz WJTXQMXXJYFZBD-UHFFFAOYSA-N 2 1 322.497 2.058 20 30 DEEDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000423367103 405779824 /nfs/dbraw/zinc/77/98/24/405779824.db2.gz CXQWLDDJYHVGPU-HNAYVOBHSA-N 2 1 312.461 2.253 20 30 DEEDMP C#CCNC(=O)CC[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000491121152 406530116 /nfs/dbraw/zinc/53/01/16/406530116.db2.gz OYNXKDJKZKRKPK-UHFFFAOYSA-N 2 1 321.509 2.206 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767588 406887701 /nfs/dbraw/zinc/88/77/01/406887701.db2.gz MBKMQJFYPDXASD-QXAKKESOSA-N 2 1 300.446 2.403 20 30 DEEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000641767588 406887703 /nfs/dbraw/zinc/88/77/03/406887703.db2.gz MBKMQJFYPDXASD-QXAKKESOSA-N 2 1 300.446 2.403 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)N1 ZINC000262628014 225279637 /nfs/dbraw/zinc/27/96/37/225279637.db2.gz DXTWROQXMLOAJS-KGLIPLIRSA-N 2 1 306.479 2.458 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898557 782030976 /nfs/dbraw/zinc/03/09/76/782030976.db2.gz KMPJTFULIWNZRQ-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898557 782030982 /nfs/dbraw/zinc/03/09/82/782030982.db2.gz KMPJTFULIWNZRQ-IXDOHACOSA-N 2 1 307.482 2.404 20 30 DEEDMP FC1(F)C[C@@]12CC[NH+](CC#CC[N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649908109 425099720 /nfs/dbraw/zinc/09/97/20/425099720.db2.gz HAEZHNQQUBPGEI-ZIAGYGMSSA-N 2 1 316.342 2.452 20 30 DEEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655427 425194960 /nfs/dbraw/zinc/19/49/60/425194960.db2.gz MIQMHQHJTCYEHZ-SJLPKXTDSA-N 2 1 307.482 2.217 20 30 DEEDMP C[C@@H](CCC#N)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411437942 278226458 /nfs/dbraw/zinc/22/64/58/278226458.db2.gz BBMBHZZNEQYJJR-GVDBMIGSSA-N 2 1 323.481 2.269 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267595750 279329875 /nfs/dbraw/zinc/32/98/75/279329875.db2.gz VZEDGSNCWQRILI-IRXDYDNUSA-N 2 1 317.481 2.210 20 30 DEEDMP Cc1cc(N2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)nc(C)[nH+]1 ZINC000583417321 332395706 /nfs/dbraw/zinc/39/57/06/332395706.db2.gz VCBYGINJCNNCJQ-HNNXBMFYSA-N 2 1 312.421 2.095 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001400861731 1161836634 /nfs/dbraw/zinc/83/66/34/1161836634.db2.gz XEWJYVSWXGBTDU-LSDHHAIUSA-N 2 1 315.889 2.486 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330295496 1149088274 /nfs/dbraw/zinc/08/82/74/1149088274.db2.gz FZWONIMTXIYQBL-OSYLJGHBSA-N 2 1 319.493 2.121 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000264105545 533989023 /nfs/dbraw/zinc/98/90/23/533989023.db2.gz PJDSTIRHTWCWKV-UHFFFAOYSA-N 2 1 324.428 2.480 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000264105545 533989030 /nfs/dbraw/zinc/98/90/30/533989030.db2.gz PJDSTIRHTWCWKV-UHFFFAOYSA-N 2 1 324.428 2.480 20 30 DEEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261730935 526349234 /nfs/dbraw/zinc/34/92/34/526349234.db2.gz YEGYFSDMIFAECC-HOTGVXAUSA-N 2 1 324.513 2.041 20 30 DEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262800090 526382239 /nfs/dbraw/zinc/38/22/39/526382239.db2.gz OXIVASCYCRBBEO-JTQLQIEISA-N 2 1 312.870 2.303 20 30 DEEDMP C[NH+]=C(NCc1ccc(Cl)s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262800090 526382245 /nfs/dbraw/zinc/38/22/45/526382245.db2.gz OXIVASCYCRBBEO-JTQLQIEISA-N 2 1 312.870 2.303 20 30 DEEDMP CC[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCc2ccccc21 ZINC000263241334 528813315 /nfs/dbraw/zinc/81/33/15/528813315.db2.gz LHFSHIPHOSYMJP-AWEZNQCLSA-N 2 1 300.450 2.497 20 30 DEEDMP CCOCc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000264073628 529063731 /nfs/dbraw/zinc/06/37/31/529063731.db2.gz DXSMYRWUBZIVHY-KRWDZBQOSA-N 2 1 318.465 2.112 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264084330 529074653 /nfs/dbraw/zinc/07/46/53/529074653.db2.gz JETITODGKCHTQX-MRXNPFEDSA-N 2 1 318.465 2.362 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2cccnc21 ZINC000264077913 529100514 /nfs/dbraw/zinc/10/05/14/529100514.db2.gz GGUNNFLJBULYHU-INIZCTEOSA-N 2 1 311.433 2.123 20 30 DEEDMP CCO[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000194581305 529112705 /nfs/dbraw/zinc/11/27/05/529112705.db2.gz AEJNCCZMWSKMGO-SJORKVTESA-N 2 1 318.465 2.153 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678319 625384285 /nfs/dbraw/zinc/38/42/85/625384285.db2.gz SKYDHZVQTVWWPL-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001026592601 625549478 /nfs/dbraw/zinc/54/94/78/625549478.db2.gz HYXJNIZWWJQVSU-WLYUNCDWSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001026610866 625559137 /nfs/dbraw/zinc/55/91/37/625559137.db2.gz WNRDEBNKZMCMKJ-OFLPRAFFSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118528 622573549 /nfs/dbraw/zinc/57/35/49/622573549.db2.gz RAMKSIFDTBIUNH-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008539400 625694958 /nfs/dbraw/zinc/69/49/58/625694958.db2.gz KCIRYRLUDXHGST-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000971667007 624498020 /nfs/dbraw/zinc/49/80/20/624498020.db2.gz HCPULRAXLIBGLO-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667007 624498021 /nfs/dbraw/zinc/49/80/21/624498021.db2.gz HCPULRAXLIBGLO-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000971667007 624498022 /nfs/dbraw/zinc/49/80/22/624498022.db2.gz HCPULRAXLIBGLO-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972005501 624766236 /nfs/dbraw/zinc/76/62/36/624766236.db2.gz MLXNQHVSNKYAKN-QGZVFWFLSA-N 2 1 315.461 2.123 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972475355 625111771 /nfs/dbraw/zinc/11/17/71/625111771.db2.gz IPHZCDBYENAVML-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972475355 625111773 /nfs/dbraw/zinc/11/17/73/625111773.db2.gz IPHZCDBYENAVML-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001007342021 625220988 /nfs/dbraw/zinc/22/09/88/625220988.db2.gz CWPQEBWWXNWJHT-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001007342021 625220989 /nfs/dbraw/zinc/22/09/89/625220989.db2.gz CWPQEBWWXNWJHT-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001007342021 625220993 /nfs/dbraw/zinc/22/09/93/625220993.db2.gz CWPQEBWWXNWJHT-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000972551428 625231677 /nfs/dbraw/zinc/23/16/77/625231677.db2.gz JSXURQNNKCCZFW-GOSISDBHSA-N 2 1 315.461 2.471 20 30 DEEDMP C#CC[N@H+](C)CCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000328164172 625738433 /nfs/dbraw/zinc/73/84/33/625738433.db2.gz ISCZOINXFVWSCZ-UHFFFAOYSA-N 2 1 308.809 2.156 20 30 DEEDMP C#CC[N@@H+](C)CCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000328164172 625738439 /nfs/dbraw/zinc/73/84/39/625738439.db2.gz ISCZOINXFVWSCZ-UHFFFAOYSA-N 2 1 308.809 2.156 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999400883 634579197 /nfs/dbraw/zinc/57/91/97/634579197.db2.gz MKCNSQSZPMICST-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001000183424 634780882 /nfs/dbraw/zinc/78/08/82/634780882.db2.gz JUIYVMLIPIVGQG-AWEZNQCLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670148 633215940 /nfs/dbraw/zinc/21/59/40/633215940.db2.gz GVXZSWXDOSYMKX-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670148 633215945 /nfs/dbraw/zinc/21/59/45/633215945.db2.gz GVXZSWXDOSYMKX-HUUCEWRRSA-N 2 1 316.449 2.163 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996978817 633547484 /nfs/dbraw/zinc/54/74/84/633547484.db2.gz KIPWFDFJEBJUCB-HIFRSBDPSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996978817 633547486 /nfs/dbraw/zinc/54/74/86/633547486.db2.gz KIPWFDFJEBJUCB-HIFRSBDPSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442347 633795982 /nfs/dbraw/zinc/79/59/82/633795982.db2.gz SBRHBHFMXIRFIW-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001027442347 633795987 /nfs/dbraw/zinc/79/59/87/633795987.db2.gz SBRHBHFMXIRFIW-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001027442347 633795991 /nfs/dbraw/zinc/79/59/91/633795991.db2.gz SBRHBHFMXIRFIW-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001027442347 633796002 /nfs/dbraw/zinc/79/60/02/633796002.db2.gz SBRHBHFMXIRFIW-OAHLLOKOSA-N 2 1 313.873 2.146 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998013179 634111684 /nfs/dbraw/zinc/11/16/84/634111684.db2.gz PTXRAQDSMTYPMH-KZNAEPCWSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998013179 634111688 /nfs/dbraw/zinc/11/16/88/634111688.db2.gz PTXRAQDSMTYPMH-KZNAEPCWSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576750 634178175 /nfs/dbraw/zinc/17/81/75/634178175.db2.gz VWBQNQHMVOHIIN-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001027576750 634178184 /nfs/dbraw/zinc/17/81/84/634178184.db2.gz VWBQNQHMVOHIIN-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576750 634178195 /nfs/dbraw/zinc/17/81/95/634178195.db2.gz VWBQNQHMVOHIIN-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001027576750 634178204 /nfs/dbraw/zinc/17/82/04/634178204.db2.gz VWBQNQHMVOHIIN-ZFWWWQNUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027925250 634980321 /nfs/dbraw/zinc/98/03/21/634980321.db2.gz QIWMGVOPAWWSSO-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925250 634980325 /nfs/dbraw/zinc/98/03/25/634980325.db2.gz QIWMGVOPAWWSSO-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027925250 634980326 /nfs/dbraw/zinc/98/03/26/634980326.db2.gz QIWMGVOPAWWSSO-SJORKVTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000981200411 635363149 /nfs/dbraw/zinc/36/31/49/635363149.db2.gz SDXZHCONXVQQKW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981200411 635363153 /nfs/dbraw/zinc/36/31/53/635363153.db2.gz SDXZHCONXVQQKW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000981200411 635363157 /nfs/dbraw/zinc/36/31/57/635363157.db2.gz SDXZHCONXVQQKW-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001228867 635431336 /nfs/dbraw/zinc/43/13/36/635431336.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228867 635431339 /nfs/dbraw/zinc/43/13/39/635431339.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001001228867 635431341 /nfs/dbraw/zinc/43/13/41/635431341.db2.gz FPYVMIHRWYSJIL-KRWDZBQOSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367765 635479050 /nfs/dbraw/zinc/47/90/50/635479050.db2.gz COFSJJJCNXOYGB-ROUUACIJSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367766 635479077 /nfs/dbraw/zinc/47/90/77/635479077.db2.gz COFSJJJCNXOYGB-ZWKOTPCHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404157 635488069 /nfs/dbraw/zinc/48/80/69/635488069.db2.gz GZABJMDKRJMXEL-ZWKOTPCHSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001001466432 635502384 /nfs/dbraw/zinc/50/23/84/635502384.db2.gz HKIKJSOOKOLTKK-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001521818 635521285 /nfs/dbraw/zinc/52/12/85/635521285.db2.gz JTSNHLDAWPEDFF-DLBZAZTESA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001539845 635525081 /nfs/dbraw/zinc/52/50/81/635525081.db2.gz VNOOULYOUNJLGX-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001001539845 635525085 /nfs/dbraw/zinc/52/50/85/635525085.db2.gz VNOOULYOUNJLGX-HNNXBMFYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764715 635634146 /nfs/dbraw/zinc/63/41/46/635634146.db2.gz AAVACIXFGBVHAC-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764715 635634151 /nfs/dbraw/zinc/63/41/51/635634151.db2.gz AAVACIXFGBVHAC-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764715 635634154 /nfs/dbraw/zinc/63/41/54/635634154.db2.gz AAVACIXFGBVHAC-QGZVFWFLSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981806298 635664058 /nfs/dbraw/zinc/66/40/58/635664058.db2.gz PJTQJFHZRJMVQN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981806298 635664062 /nfs/dbraw/zinc/66/40/62/635664062.db2.gz PJTQJFHZRJMVQN-KRWDZBQOSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981958523 635765102 /nfs/dbraw/zinc/76/51/02/635765102.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958523 635765105 /nfs/dbraw/zinc/76/51/05/635765105.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981958523 635765111 /nfs/dbraw/zinc/76/51/11/635765111.db2.gz MFLHVIYLQNVWCK-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC000982063441 635851150 /nfs/dbraw/zinc/85/11/50/635851150.db2.gz PVTULASCBLCLLF-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982063441 635851155 /nfs/dbraw/zinc/85/11/55/635851155.db2.gz PVTULASCBLCLLF-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081607 635863822 /nfs/dbraw/zinc/86/38/22/635863822.db2.gz UQLBLZKDJDHIMP-KRWDZBQOSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003012744 635881363 /nfs/dbraw/zinc/88/13/63/635881363.db2.gz ZWSZUGKNLOJEDR-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163489 635890598 /nfs/dbraw/zinc/89/05/98/635890598.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163489 635890601 /nfs/dbraw/zinc/89/06/01/635890601.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163489 635890604 /nfs/dbraw/zinc/89/06/04/635890604.db2.gz CJKWYFLNXFZKAI-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574496 635940837 /nfs/dbraw/zinc/94/08/37/635940837.db2.gz FQXSVJMCSVTBGB-HOTGVXAUSA-N 2 1 300.450 2.105 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631638 636494758 /nfs/dbraw/zinc/49/47/58/636494758.db2.gz RJWTXYKJUDTDKF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631638 636494762 /nfs/dbraw/zinc/49/47/62/636494762.db2.gz RJWTXYKJUDTDKF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631638 636494764 /nfs/dbraw/zinc/49/47/64/636494764.db2.gz RJWTXYKJUDTDKF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624874 636510374 /nfs/dbraw/zinc/51/03/74/636510374.db2.gz IVMDHKZPCMKEHM-QGZVFWFLSA-N 2 1 319.493 2.267 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755819 636703389 /nfs/dbraw/zinc/70/33/89/636703389.db2.gz VMSOTOFRLVUUDG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755819 636703392 /nfs/dbraw/zinc/70/33/92/636703392.db2.gz VMSOTOFRLVUUDG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755819 636703394 /nfs/dbraw/zinc/70/33/94/636703394.db2.gz VMSOTOFRLVUUDG-IRXDYDNUSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902281 636832088 /nfs/dbraw/zinc/83/20/88/636832088.db2.gz SLGRWUYUIWWQHY-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985653526 639564409 /nfs/dbraw/zinc/56/44/09/639564409.db2.gz WJRDRWPLMASUCW-AWEZNQCLSA-N 2 1 301.862 2.002 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989504990 641131624 /nfs/dbraw/zinc/13/16/24/641131624.db2.gz XNNOUIJRMXQLCA-ZIAGYGMSSA-N 2 1 324.856 2.338 20 30 DEEDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(C#N)c1 ZINC000902762728 643128211 /nfs/dbraw/zinc/12/82/11/643128211.db2.gz PKWINAWVBPFKQK-SFHVURJKSA-N 2 1 301.434 2.446 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000908230551 644788692 /nfs/dbraw/zinc/78/86/92/644788692.db2.gz PCCKNMIOFWIHMD-SJLPKXTDSA-N 2 1 315.461 2.274 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874295 /nfs/dbraw/zinc/87/42/95/646874295.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874297 /nfs/dbraw/zinc/87/42/97/646874297.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149868 646874302 /nfs/dbraw/zinc/87/43/02/646874302.db2.gz OEIDLEFWLWIASP-ZIFCJYIRSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992284818 646929092 /nfs/dbraw/zinc/92/90/92/646929092.db2.gz LZEFNMBTGBFOFA-HKUYNNGSSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993761274 647738022 /nfs/dbraw/zinc/73/80/22/647738022.db2.gz OKTJQIIVPFIQTM-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934762 /nfs/dbraw/zinc/93/47/62/648934762.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934766 /nfs/dbraw/zinc/93/47/66/648934766.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000940736140 648934768 /nfs/dbraw/zinc/93/47/68/648934768.db2.gz AGUHQUWOGXOREE-IAGOWNOFSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940837427 648954004 /nfs/dbraw/zinc/95/40/04/648954004.db2.gz UEVKHFOLAJNANL-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865439 648958314 /nfs/dbraw/zinc/95/83/14/648958314.db2.gz ZBFKYVLKRQYNTL-MRXNPFEDSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224329 649025076 /nfs/dbraw/zinc/02/50/76/649025076.db2.gz UKMBHHYBUYJLMC-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224329 649025079 /nfs/dbraw/zinc/02/50/79/649025079.db2.gz UKMBHHYBUYJLMC-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944171667 649491121 /nfs/dbraw/zinc/49/11/21/649491121.db2.gz ZTGYWFNEGAKBKE-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944171667 649491123 /nfs/dbraw/zinc/49/11/23/649491123.db2.gz ZTGYWFNEGAKBKE-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C[NH+]=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1ccco1 ZINC000848986665 651572222 /nfs/dbraw/zinc/57/22/22/651572222.db2.gz QYJPKEJDNKACBM-UHFFFAOYSA-N 2 1 312.417 2.003 20 30 DEEDMP C[NH+]=C(NCC[N@H+]1CCc2ccccc2C1)NCc1ccco1 ZINC000848986665 651572224 /nfs/dbraw/zinc/57/22/24/651572224.db2.gz QYJPKEJDNKACBM-UHFFFAOYSA-N 2 1 312.417 2.003 20 30 DEEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCSCC1 ZINC000304756520 685259860 /nfs/dbraw/zinc/25/98/60/685259860.db2.gz NRVMBPMBKFXAAH-INIZCTEOSA-N 2 1 324.538 2.395 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099463 693843730 /nfs/dbraw/zinc/84/37/30/693843730.db2.gz IWAKHCQZUIJUCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099463 693843732 /nfs/dbraw/zinc/84/37/32/693843732.db2.gz IWAKHCQZUIJUCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099463 693843736 /nfs/dbraw/zinc/84/37/36/693843736.db2.gz IWAKHCQZUIJUCE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141559 693861445 /nfs/dbraw/zinc/86/14/45/693861445.db2.gz MGYLTLBJXZLASV-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141559 693861449 /nfs/dbraw/zinc/86/14/49/693861449.db2.gz MGYLTLBJXZLASV-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141559 693861453 /nfs/dbraw/zinc/86/14/53/693861453.db2.gz MGYLTLBJXZLASV-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C[C@H]1CCC[N@@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303868917 685236852 /nfs/dbraw/zinc/23/68/52/685236852.db2.gz APZCWWOTNJAEEP-INIZCTEOSA-N 2 1 302.466 2.426 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000303908967 685240375 /nfs/dbraw/zinc/24/03/75/685240375.db2.gz XZLSWWLGNJFFKU-OAHLLOKOSA-N 2 1 300.450 2.091 20 30 DEEDMP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000303908967 685240382 /nfs/dbraw/zinc/24/03/82/685240382.db2.gz XZLSWWLGNJFFKU-OAHLLOKOSA-N 2 1 300.450 2.091 20 30 DEEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+](C)C1CC1 ZINC000303979033 685241064 /nfs/dbraw/zinc/24/10/64/685241064.db2.gz MSJJATIDZKFJDT-GFCCVEGCSA-N 2 1 318.421 2.057 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304042596 685244082 /nfs/dbraw/zinc/24/40/82/685244082.db2.gz IXJLBTBELYMVKH-LBPRGKRZSA-N 2 1 321.469 2.206 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000929790790 694027762 /nfs/dbraw/zinc/02/77/62/694027762.db2.gz MXNOBQSGCDWHTE-QGZVFWFLSA-N 2 1 313.445 2.270 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000929790790 694027766 /nfs/dbraw/zinc/02/77/66/694027766.db2.gz MXNOBQSGCDWHTE-QGZVFWFLSA-N 2 1 313.445 2.270 20 30 DEEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000929790790 694027769 /nfs/dbraw/zinc/02/77/69/694027769.db2.gz MXNOBQSGCDWHTE-QGZVFWFLSA-N 2 1 313.445 2.270 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016931962 687736504 /nfs/dbraw/zinc/73/65/04/687736504.db2.gz ZFHLVXGCKUGULX-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016985948 687749453 /nfs/dbraw/zinc/74/94/53/687749453.db2.gz NDQORFFLEMPQRX-SJORKVTESA-N 2 1 319.493 2.408 20 30 DEEDMP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867960624 687851505 /nfs/dbraw/zinc/85/15/05/687851505.db2.gz NSAAZMGQLRTXCD-KZULUSFZSA-N 2 1 320.396 2.403 20 30 DEEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851078 688243833 /nfs/dbraw/zinc/24/38/33/688243833.db2.gz KIVNUOSHDOANAT-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870123198 688489641 /nfs/dbraw/zinc/48/96/41/688489641.db2.gz NCJPMIIMFGDWPB-MRXNPFEDSA-N 2 1 301.434 2.010 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918911 689020444 /nfs/dbraw/zinc/02/04/44/689020444.db2.gz WBKSEMPNHOJYFS-GOSISDBHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076743 689378494 /nfs/dbraw/zinc/37/84/94/689378494.db2.gz OBMGFSSYRJZMCV-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571226 689547326 /nfs/dbraw/zinc/54/73/26/689547326.db2.gz MOXFTSYIWHBAEQ-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033835111 689631041 /nfs/dbraw/zinc/63/10/41/689631041.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835111 689631043 /nfs/dbraw/zinc/63/10/43/689631043.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033835111 689631047 /nfs/dbraw/zinc/63/10/47/689631047.db2.gz MWMLSWYWLDJULF-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033884049 689650159 /nfs/dbraw/zinc/65/01/59/689650159.db2.gz XAEVJKHOQWOBNR-MRXNPFEDSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204706 689761867 /nfs/dbraw/zinc/76/18/67/689761867.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204706 689761870 /nfs/dbraw/zinc/76/18/70/689761870.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034204706 689761871 /nfs/dbraw/zinc/76/18/71/689761871.db2.gz PGFAGKGBDDVCGF-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034250740 689780464 /nfs/dbraw/zinc/78/04/64/689780464.db2.gz SDVQXAKMFSRRKI-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034250740 689780469 /nfs/dbraw/zinc/78/04/69/689780469.db2.gz SDVQXAKMFSRRKI-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034250740 689780473 /nfs/dbraw/zinc/78/04/73/689780473.db2.gz SDVQXAKMFSRRKI-MSOLQXFVSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034370526 689826375 /nfs/dbraw/zinc/82/63/75/689826375.db2.gz XMKJPXYKWWZDRY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034370526 689826376 /nfs/dbraw/zinc/82/63/76/689826376.db2.gz XMKJPXYKWWZDRY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034370526 689826378 /nfs/dbraw/zinc/82/63/78/689826378.db2.gz XMKJPXYKWWZDRY-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034394579 689833046 /nfs/dbraw/zinc/83/30/46/689833046.db2.gz PJTGJBIYELLQNX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034394579 689833049 /nfs/dbraw/zinc/83/30/49/689833049.db2.gz PJTGJBIYELLQNX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034394579 689833056 /nfs/dbraw/zinc/83/30/56/689833056.db2.gz PJTGJBIYELLQNX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642527 689917255 /nfs/dbraw/zinc/91/72/55/689917255.db2.gz GPEUMMBOOMMYOJ-BRSBDYLESA-N 2 1 319.493 2.454 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001034676392 689924976 /nfs/dbraw/zinc/92/49/76/689924976.db2.gz YIDYTARQWCWKKD-QAETUUGQSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034733837 689936355 /nfs/dbraw/zinc/93/63/55/689936355.db2.gz DUJGMHUJUCCOCE-BPLDGKMQSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001036056933 690248545 /nfs/dbraw/zinc/24/85/45/690248545.db2.gz WTNDQCSOKMVEEM-WFASDCNBSA-N 2 1 313.873 2.050 20 30 DEEDMP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036093709 690258824 /nfs/dbraw/zinc/25/88/24/690258824.db2.gz FWHDJNNJRJLYSS-RDJZCZTQSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820902 690486708 /nfs/dbraw/zinc/48/67/08/690486708.db2.gz QLNAPZIDMKSXMQ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820902 690486711 /nfs/dbraw/zinc/48/67/11/690486711.db2.gz QLNAPZIDMKSXMQ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820902 690486714 /nfs/dbraw/zinc/48/67/14/690486714.db2.gz QLNAPZIDMKSXMQ-SJORKVTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833446 690491977 /nfs/dbraw/zinc/49/19/77/690491977.db2.gz UFUQEUGKMTTZJU-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036852678 690499312 /nfs/dbraw/zinc/49/93/12/690499312.db2.gz HVOJRAWQTBZDNG-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039394235 691097123 /nfs/dbraw/zinc/09/71/23/691097123.db2.gz PJJOWYGTIDQTHV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039394235 691097126 /nfs/dbraw/zinc/09/71/26/691097126.db2.gz PJJOWYGTIDQTHV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039394235 691097128 /nfs/dbraw/zinc/09/71/28/691097128.db2.gz PJJOWYGTIDQTHV-IXDOHACOSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040114376 691199508 /nfs/dbraw/zinc/19/95/08/691199508.db2.gz KGXDNCQGYBWPPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040114376 691199511 /nfs/dbraw/zinc/19/95/11/691199511.db2.gz KGXDNCQGYBWPPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040114376 691199512 /nfs/dbraw/zinc/19/95/12/691199512.db2.gz KGXDNCQGYBWPPK-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849720 691292579 /nfs/dbraw/zinc/29/25/79/691292579.db2.gz UXBXJOJBKHRRPU-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041477234 691382267 /nfs/dbraw/zinc/38/22/67/691382267.db2.gz ZOWGMHKHOJWJRD-LJQANCHMSA-N 2 1 324.428 2.448 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000883131843 691436452 /nfs/dbraw/zinc/43/64/52/691436452.db2.gz VIMLXNOXVSDPRY-UHFFFAOYSA-N 2 1 312.417 2.130 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000883131843 691436455 /nfs/dbraw/zinc/43/64/55/691436455.db2.gz VIMLXNOXVSDPRY-UHFFFAOYSA-N 2 1 312.417 2.130 20 30 DEEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000883216579 691459013 /nfs/dbraw/zinc/45/90/13/691459013.db2.gz SHNZUTHVXCXLPX-FUHWJXTLSA-N 2 1 304.434 2.056 20 30 DEEDMP C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000883216579 691459016 /nfs/dbraw/zinc/45/90/16/691459016.db2.gz SHNZUTHVXCXLPX-FUHWJXTLSA-N 2 1 304.434 2.056 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234951 691543130 /nfs/dbraw/zinc/54/31/30/691543130.db2.gz PVBZUDKORXIUEC-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234951 691543133 /nfs/dbraw/zinc/54/31/33/691543133.db2.gz PVBZUDKORXIUEC-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234951 691543135 /nfs/dbraw/zinc/54/31/35/691543135.db2.gz PVBZUDKORXIUEC-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198069 691687773 /nfs/dbraw/zinc/68/77/73/691687773.db2.gz BKCCNMKGOPKNEN-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198069 691687776 /nfs/dbraw/zinc/68/77/76/691687776.db2.gz BKCCNMKGOPKNEN-KRWDZBQOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001044741683 691880552 /nfs/dbraw/zinc/88/05/52/691880552.db2.gz CMLWAZOLJQSUKR-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885973665 691974837 /nfs/dbraw/zinc/97/48/37/691974837.db2.gz XTKFGZPNYZBSJG-KRWDZBQOSA-N 2 1 308.466 2.345 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045462179 691984718 /nfs/dbraw/zinc/98/47/18/691984718.db2.gz ZOBSGTHSOWHULU-HNNXBMFYSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045984706 692069463 /nfs/dbraw/zinc/06/94/63/692069463.db2.gz HFGSROJXVZMROF-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984706 692069467 /nfs/dbraw/zinc/06/94/67/692069467.db2.gz HFGSROJXVZMROF-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045984706 692069470 /nfs/dbraw/zinc/06/94/70/692069470.db2.gz HFGSROJXVZMROF-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001046485665 692201774 /nfs/dbraw/zinc/20/17/74/692201774.db2.gz CKITUOUYBDQTSB-SFHVURJKSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849644 692709858 /nfs/dbraw/zinc/70/98/58/692709858.db2.gz ORNQKCNEUYYIDF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849644 692709859 /nfs/dbraw/zinc/70/98/59/692709859.db2.gz ORNQKCNEUYYIDF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849644 692709863 /nfs/dbraw/zinc/70/98/63/692709863.db2.gz ORNQKCNEUYYIDF-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871147 692713899 /nfs/dbraw/zinc/71/38/99/692713899.db2.gz JOETZUXGOJSNBF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871147 692713900 /nfs/dbraw/zinc/71/39/00/692713900.db2.gz JOETZUXGOJSNBF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871147 692713902 /nfs/dbraw/zinc/71/39/02/692713902.db2.gz JOETZUXGOJSNBF-KSZLIROESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049515030 692907940 /nfs/dbraw/zinc/90/79/40/692907940.db2.gz LCQVNRAUIMOMGP-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515030 692907942 /nfs/dbraw/zinc/90/79/42/692907942.db2.gz LCQVNRAUIMOMGP-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049515030 692907944 /nfs/dbraw/zinc/90/79/44/692907944.db2.gz LCQVNRAUIMOMGP-IAGOWNOFSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001049549767 692918651 /nfs/dbraw/zinc/91/86/51/692918651.db2.gz ISXYBHLZRXFOFG-ZACQAIPSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049560329 692921628 /nfs/dbraw/zinc/92/16/28/692921628.db2.gz XONMCMAGCZMLNT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049560329 692921631 /nfs/dbraw/zinc/92/16/31/692921631.db2.gz XONMCMAGCZMLNT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049560329 692921634 /nfs/dbraw/zinc/92/16/34/692921634.db2.gz XONMCMAGCZMLNT-BBWFWOEESA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595039 692935210 /nfs/dbraw/zinc/93/52/10/692935210.db2.gz RJANZZREHNCGPR-MSOLQXFVSA-N 2 1 322.412 2.037 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049713551 692973103 /nfs/dbraw/zinc/97/31/03/692973103.db2.gz ZGXFRJNHUXBAJC-GVDBMIGSSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049763772 692992347 /nfs/dbraw/zinc/99/23/47/692992347.db2.gz YOSAUIULJFYFFY-MSOLQXFVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049920600 693048148 /nfs/dbraw/zinc/04/81/48/693048148.db2.gz SOLDRGAYBIHKDW-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050118890 693113048 /nfs/dbraw/zinc/11/30/48/693113048.db2.gz FQBPHCFQJFQXSJ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050118890 693113049 /nfs/dbraw/zinc/11/30/49/693113049.db2.gz FQBPHCFQJFQXSJ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050118890 693113052 /nfs/dbraw/zinc/11/30/52/693113052.db2.gz FQBPHCFQJFQXSJ-OKZBNKHCSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370017 693517432 /nfs/dbraw/zinc/51/74/32/693517432.db2.gz XVPOWXHVAGSLGT-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052370017 693517434 /nfs/dbraw/zinc/51/74/34/693517434.db2.gz XVPOWXHVAGSLGT-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052370017 693517429 /nfs/dbraw/zinc/51/74/29/693517429.db2.gz XVPOWXHVAGSLGT-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001052497496 693549820 /nfs/dbraw/zinc/54/98/20/693549820.db2.gz CIWLRGCEAJDFOZ-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052497496 693549824 /nfs/dbraw/zinc/54/98/24/693549824.db2.gz CIWLRGCEAJDFOZ-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001052497496 693549828 /nfs/dbraw/zinc/54/98/28/693549828.db2.gz CIWLRGCEAJDFOZ-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516818 693555501 /nfs/dbraw/zinc/55/55/01/693555501.db2.gz RPZWLBRUDLPTJC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516818 693555504 /nfs/dbraw/zinc/55/55/04/693555504.db2.gz RPZWLBRUDLPTJC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516818 693555507 /nfs/dbraw/zinc/55/55/07/693555507.db2.gz RPZWLBRUDLPTJC-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052652037 693589009 /nfs/dbraw/zinc/58/90/09/693589009.db2.gz RLAGAKLKNZEJBU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652037 693589012 /nfs/dbraw/zinc/58/90/12/693589012.db2.gz RLAGAKLKNZEJBU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652037 693589013 /nfs/dbraw/zinc/58/90/13/693589013.db2.gz RLAGAKLKNZEJBU-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765191 693615093 /nfs/dbraw/zinc/61/50/93/693615093.db2.gz WYOJYHPOEACKTC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001052866018 693637095 /nfs/dbraw/zinc/63/70/95/693637095.db2.gz UDFDZTCVHWZCSC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052866018 693637096 /nfs/dbraw/zinc/63/70/96/693637096.db2.gz UDFDZTCVHWZCSC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001052866018 693637098 /nfs/dbraw/zinc/63/70/98/693637098.db2.gz UDFDZTCVHWZCSC-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001393660654 1157895764 /nfs/dbraw/zinc/89/57/64/1157895764.db2.gz UCBMEMQTLFIAPV-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001375924686 1158985146 /nfs/dbraw/zinc/98/51/46/1158985146.db2.gz QNLYSYWFKRPMNG-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001376950747 1159854434 /nfs/dbraw/zinc/85/44/34/1159854434.db2.gz ASXGBUYHDDAYKG-HNNXBMFYSA-N 2 1 324.856 2.162 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001376979707 1159862905 /nfs/dbraw/zinc/86/29/05/1159862905.db2.gz KDGHZHMTHANZBZ-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001401833437 1162148875 /nfs/dbraw/zinc/14/88/75/1162148875.db2.gz WJTNAZFUSZFWMH-CABCVRRESA-N 2 1 315.889 2.345 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001408172891 1165513326 /nfs/dbraw/zinc/51/33/26/1165513326.db2.gz IWSZLRDFUZCIOZ-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001408172891 1165513335 /nfs/dbraw/zinc/51/33/35/1165513335.db2.gz IWSZLRDFUZCIOZ-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408172891 1165513344 /nfs/dbraw/zinc/51/33/44/1165513344.db2.gz IWSZLRDFUZCIOZ-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001408172891 1165513354 /nfs/dbraw/zinc/51/33/54/1165513354.db2.gz IWSZLRDFUZCIOZ-KBPBESRZSA-N 2 1 301.862 2.048 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001417898242 1167290682 /nfs/dbraw/zinc/29/06/82/1167290682.db2.gz HWRRHAFUKZWEDG-GJZGRUSLSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418654412 1167865706 /nfs/dbraw/zinc/86/57/06/1167865706.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001418654412 1167865710 /nfs/dbraw/zinc/86/57/10/1167865710.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001418654412 1167865715 /nfs/dbraw/zinc/86/57/15/1167865715.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418654412 1167865718 /nfs/dbraw/zinc/86/57/18/1167865718.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001418654412 1167865725 /nfs/dbraw/zinc/86/57/25/1167865725.db2.gz AZNCZIGGSUOKMD-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001419074040 1168178797 /nfs/dbraw/zinc/17/87/97/1168178797.db2.gz BGAHZFVDSGINKN-DZGCQCFKSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001419330401 1168405794 /nfs/dbraw/zinc/40/57/94/1168405794.db2.gz BMVVCXOJQJOGBX-HNNXBMFYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001419330401 1168405798 /nfs/dbraw/zinc/40/57/98/1168405798.db2.gz BMVVCXOJQJOGBX-HNNXBMFYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001419330401 1168405802 /nfs/dbraw/zinc/40/58/02/1168405802.db2.gz BMVVCXOJQJOGBX-HNNXBMFYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001436760670 1179222173 /nfs/dbraw/zinc/22/21/73/1179222173.db2.gz GSQJRVXRZDDGFI-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001437921904 1180079882 /nfs/dbraw/zinc/07/98/82/1180079882.db2.gz HWOGYXPEDGGYIV-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001439480050 1181106314 /nfs/dbraw/zinc/10/63/14/1181106314.db2.gz MKHGVOHZHOCWCR-CQSZACIVSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679461 1182126273 /nfs/dbraw/zinc/12/62/73/1182126273.db2.gz NMYIXDXWZWSHAT-LSDHHAIUSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)CCn2ccnc2)C1 ZINC001441679461 1182126277 /nfs/dbraw/zinc/12/62/77/1182126277.db2.gz NMYIXDXWZWSHAT-LSDHHAIUSA-N 2 1 324.856 2.242 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442892669 1182772844 /nfs/dbraw/zinc/77/28/44/1182772844.db2.gz WOAIJSKVOMXUCP-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001442892669 1182772858 /nfs/dbraw/zinc/77/28/58/1182772858.db2.gz WOAIJSKVOMXUCP-CQSZACIVSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850104 790272973 /nfs/dbraw/zinc/27/29/73/790272973.db2.gz RAIKXTLBYMWIFG-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850104 790272974 /nfs/dbraw/zinc/27/29/74/790272974.db2.gz RAIKXTLBYMWIFG-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850104 790272977 /nfs/dbraw/zinc/27/29/77/790272977.db2.gz RAIKXTLBYMWIFG-SJORKVTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898219 790293644 /nfs/dbraw/zinc/29/36/44/790293644.db2.gz OHDSEDRDYMITST-UHFFFAOYSA-N 2 1 310.401 2.058 20 30 DEEDMP C=CCC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923109 790304677 /nfs/dbraw/zinc/30/46/77/790304677.db2.gz OQAKSLBBKXGFSC-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923109 790304685 /nfs/dbraw/zinc/30/46/85/790304685.db2.gz OQAKSLBBKXGFSC-UHFFFAOYSA-N 2 1 317.433 2.065 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249432 782570303 /nfs/dbraw/zinc/57/03/03/782570303.db2.gz HMZAVXXOFJBTQX-BRWVUGGUSA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234371 782788551 /nfs/dbraw/zinc/78/85/51/782788551.db2.gz IUKMJZYCOZIUFF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234371 782788556 /nfs/dbraw/zinc/78/85/56/782788556.db2.gz IUKMJZYCOZIUFF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001099234371 782788559 /nfs/dbraw/zinc/78/85/59/782788559.db2.gz IUKMJZYCOZIUFF-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582513 782795237 /nfs/dbraw/zinc/79/52/37/782795237.db2.gz DVPZHFOTXCUDOY-VSZNYVQBSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001333398524 1150044848 /nfs/dbraw/zinc/04/48/48/1150044848.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001333398524 1150044852 /nfs/dbraw/zinc/04/48/52/1150044852.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001333398524 1150044856 /nfs/dbraw/zinc/04/48/56/1150044856.db2.gz AHJQIHNFERVFHO-IRXDYDNUSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440476 783108634 /nfs/dbraw/zinc/10/86/34/783108634.db2.gz AMFXSBLJKHLILZ-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440476 783108636 /nfs/dbraw/zinc/10/86/36/783108636.db2.gz AMFXSBLJKHLILZ-INIZCTEOSA-N 2 1 318.465 2.374 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471408 783146394 /nfs/dbraw/zinc/14/63/94/783146394.db2.gz BTTDIYCMBBJVQT-ZBFHGGJFSA-N 2 1 324.428 2.249 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089558526 783206701 /nfs/dbraw/zinc/20/67/01/783206701.db2.gz IEZNOMZQSSTIOY-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089558526 783206711 /nfs/dbraw/zinc/20/67/11/783206711.db2.gz IEZNOMZQSSTIOY-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073118057 790469323 /nfs/dbraw/zinc/46/93/23/790469323.db2.gz DRFZHTHRIVCLMU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073118057 790469329 /nfs/dbraw/zinc/46/93/29/790469329.db2.gz DRFZHTHRIVCLMU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073118057 790469333 /nfs/dbraw/zinc/46/93/33/790469333.db2.gz DRFZHTHRIVCLMU-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c[nH+]c(N(C)C)cc1C ZINC001171069449 790549966 /nfs/dbraw/zinc/54/99/66/790549966.db2.gz JZQNNWCMMHWAMA-AWEZNQCLSA-N 2 1 320.437 2.095 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676377 778016043 /nfs/dbraw/zinc/01/60/43/778016043.db2.gz HHQCWYOJDCWZGO-IXDOHACOSA-N 2 1 307.482 2.121 20 30 DEEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104684127 778021199 /nfs/dbraw/zinc/02/11/99/778021199.db2.gz YDXCSRMVMXZTHL-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531686 778655074 /nfs/dbraw/zinc/65/50/74/778655074.db2.gz LQYFFQBFDWEGLU-LPHOPBHVSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601826 779373323 /nfs/dbraw/zinc/37/33/23/779373323.db2.gz LYIAMBBYZYEJIP-ARFHVFGLSA-N 2 1 316.449 2.306 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601826 779373328 /nfs/dbraw/zinc/37/33/28/779373328.db2.gz LYIAMBBYZYEJIP-ARFHVFGLSA-N 2 1 316.449 2.306 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636127 779388257 /nfs/dbraw/zinc/38/82/57/779388257.db2.gz BDJPPJUAVAPILH-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636127 779388261 /nfs/dbraw/zinc/38/82/61/779388261.db2.gz BDJPPJUAVAPILH-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636127 779388266 /nfs/dbraw/zinc/38/82/66/779388266.db2.gz BDJPPJUAVAPILH-RCCFBDPRSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999624 779624541 /nfs/dbraw/zinc/62/45/41/779624541.db2.gz UVNRUFFPWREMPE-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999624 779624543 /nfs/dbraw/zinc/62/45/43/779624543.db2.gz UVNRUFFPWREMPE-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999624 779624549 /nfs/dbraw/zinc/62/45/49/779624549.db2.gz UVNRUFFPWREMPE-FGTMMUONSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212784 779775995 /nfs/dbraw/zinc/77/59/95/779775995.db2.gz PMWCXJOMTQFWKX-FGTMMUONSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088710372 780883192 /nfs/dbraw/zinc/88/31/92/780883192.db2.gz KPOGZBOHKJEMCK-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810329 781022124 /nfs/dbraw/zinc/02/21/24/781022124.db2.gz YCDDTAWYFIZGBN-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810329 781022127 /nfs/dbraw/zinc/02/21/27/781022127.db2.gz YCDDTAWYFIZGBN-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810329 781022135 /nfs/dbraw/zinc/02/21/35/781022135.db2.gz YCDDTAWYFIZGBN-ZACQAIPSSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521117 781048939 /nfs/dbraw/zinc/04/89/39/781048939.db2.gz QYBIELDMOMDBEW-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908662 783265806 /nfs/dbraw/zinc/26/58/06/783265806.db2.gz URMKDRXJQMGDQX-MAUKXSAKSA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657204 783328425 /nfs/dbraw/zinc/32/84/25/783328425.db2.gz AXMBDGKGZUHUIY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657204 783328435 /nfs/dbraw/zinc/32/84/35/783328435.db2.gz AXMBDGKGZUHUIY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657204 783328447 /nfs/dbraw/zinc/32/84/47/783328447.db2.gz AXMBDGKGZUHUIY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657204 783328459 /nfs/dbraw/zinc/32/84/59/783328459.db2.gz AXMBDGKGZUHUIY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001085331697 783642133 /nfs/dbraw/zinc/64/21/33/783642133.db2.gz WSFCZGPSDSJJPK-RBSFLKMASA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001085604045 783880011 /nfs/dbraw/zinc/88/00/11/783880011.db2.gz VSYUCMRDPAKXJQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085604045 783880013 /nfs/dbraw/zinc/88/00/13/783880013.db2.gz VSYUCMRDPAKXJQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001085604045 783880019 /nfs/dbraw/zinc/88/00/19/783880019.db2.gz VSYUCMRDPAKXJQ-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639260 783916652 /nfs/dbraw/zinc/91/66/52/783916652.db2.gz LQUWAVLSHSMWLS-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639260 783916657 /nfs/dbraw/zinc/91/66/57/783916657.db2.gz LQUWAVLSHSMWLS-HOTGVXAUSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639262 783917383 /nfs/dbraw/zinc/91/73/83/783917383.db2.gz LQUWAVLSHSMWLS-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639262 783917385 /nfs/dbraw/zinc/91/73/85/783917385.db2.gz LQUWAVLSHSMWLS-JKSUJKDBSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778640 784067471 /nfs/dbraw/zinc/06/74/71/784067471.db2.gz CZSSHRHYKACQBA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778640 784067478 /nfs/dbraw/zinc/06/74/78/784067478.db2.gz CZSSHRHYKACQBA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778640 784067484 /nfs/dbraw/zinc/06/74/84/784067484.db2.gz CZSSHRHYKACQBA-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855435 784148757 /nfs/dbraw/zinc/14/87/57/784148757.db2.gz YMVQIIHVIQLQGR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855435 784148766 /nfs/dbraw/zinc/14/87/66/784148766.db2.gz YMVQIIHVIQLQGR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855435 784148774 /nfs/dbraw/zinc/14/87/74/784148774.db2.gz YMVQIIHVIQLQGR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855435 784148779 /nfs/dbraw/zinc/14/87/79/784148779.db2.gz YMVQIIHVIQLQGR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085855435 784148784 /nfs/dbraw/zinc/14/87/84/784148784.db2.gz YMVQIIHVIQLQGR-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875930 784166488 /nfs/dbraw/zinc/16/64/88/784166488.db2.gz MRZRYYPPADHABH-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875930 784166491 /nfs/dbraw/zinc/16/64/91/784166491.db2.gz MRZRYYPPADHABH-KRWDZBQOSA-N 2 1 301.434 2.081 20 30 DEEDMP C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000968497976 784426768 /nfs/dbraw/zinc/42/67/68/784426768.db2.gz UNFVRQRDLFPLNK-MAUKXSAKSA-N 2 1 324.428 2.499 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554829 784463957 /nfs/dbraw/zinc/46/39/57/784463957.db2.gz XXQJNCSSCXYFFS-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968554829 784463963 /nfs/dbraw/zinc/46/39/63/784463963.db2.gz XXQJNCSSCXYFFS-GDBMZVCRSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001086221335 784499863 /nfs/dbraw/zinc/49/98/63/784499863.db2.gz PCAMXUOMBQXQDL-TWMKSMIVSA-N 2 1 305.466 2.064 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001155611499 784577323 /nfs/dbraw/zinc/57/73/23/784577323.db2.gz GUCQIIQNYZUTNK-IAGOWNOFSA-N 2 1 307.482 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001086400098 784672648 /nfs/dbraw/zinc/67/26/48/784672648.db2.gz VZFDREUMDXKIFS-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007494838 784934709 /nfs/dbraw/zinc/93/47/09/784934709.db2.gz GBTAJMDWDSHRBW-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007494838 784934716 /nfs/dbraw/zinc/93/47/16/784934716.db2.gz GBTAJMDWDSHRBW-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007619412 784962844 /nfs/dbraw/zinc/96/28/44/784962844.db2.gz MHZVDSYOJCGFSV-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169142091 785061730 /nfs/dbraw/zinc/06/17/30/785061730.db2.gz ZSGYRZKXJBLRGB-JKEDJMADSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142091 785061737 /nfs/dbraw/zinc/06/17/37/785061737.db2.gz ZSGYRZKXJBLRGB-JKEDJMADSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169142091 785061747 /nfs/dbraw/zinc/06/17/47/785061747.db2.gz ZSGYRZKXJBLRGB-JKEDJMADSA-N 2 1 320.477 2.438 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108830237 785558127 /nfs/dbraw/zinc/55/81/27/785558127.db2.gz GQSNMGFBOUYVBE-ULQDDVLXSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530340 785661619 /nfs/dbraw/zinc/66/16/19/785661619.db2.gz UBLUNQMGSMGFON-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567879 786160510 /nfs/dbraw/zinc/16/05/10/786160510.db2.gz MRFQFPONHBRUHA-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795563 788197181 /nfs/dbraw/zinc/19/71/81/788197181.db2.gz VAIRCWSJZRTWAU-KRWDZBQOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888313 788218552 /nfs/dbraw/zinc/21/85/52/788218552.db2.gz MBXVWFVWZVYBMY-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001097853602 788251905 /nfs/dbraw/zinc/25/19/05/788251905.db2.gz MKMQOUZDWPUXGH-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001097853602 788251909 /nfs/dbraw/zinc/25/19/09/788251909.db2.gz MKMQOUZDWPUXGH-HZMVEIRTSA-N 2 1 305.466 2.016 20 30 DEEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133123045 788289215 /nfs/dbraw/zinc/28/92/15/788289215.db2.gz XYZDCMADVARUMQ-IRXDYDNUSA-N 2 1 321.509 2.062 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133229329 788324169 /nfs/dbraw/zinc/32/41/69/788324169.db2.gz IRBGPAJPADDLHW-SJORKVTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133229328 788325128 /nfs/dbraw/zinc/32/51/28/788325128.db2.gz IRBGPAJPADDLHW-IRXDYDNUSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314586 788367406 /nfs/dbraw/zinc/36/74/06/788367406.db2.gz OSWFTKYJNHBZAW-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135103180 789198925 /nfs/dbraw/zinc/19/89/25/789198925.db2.gz XJZNNYKNFOUHGE-SJORKVTESA-N 2 1 307.482 2.456 20 30 DEEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135600768 789411185 /nfs/dbraw/zinc/41/11/85/789411185.db2.gz MTVROLPROWJVFV-HZPDHXFCSA-N 2 1 318.465 2.293 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137695 789741388 /nfs/dbraw/zinc/74/13/88/789741388.db2.gz RUEVPUNCIIVLSC-KURKYZTESA-N 2 1 319.493 2.404 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071973228 789994662 /nfs/dbraw/zinc/99/46/62/789994662.db2.gz FLBBTTYJMQPHST-MAUKXSAKSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147450063 791550507 /nfs/dbraw/zinc/55/05/07/791550507.db2.gz XHPRMLMBAMAPFG-OAHLLOKOSA-N 2 1 309.841 2.138 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436302 791745528 /nfs/dbraw/zinc/74/55/28/791745528.db2.gz RCTJWJOEFWNPTR-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436302 791745532 /nfs/dbraw/zinc/74/55/32/791745532.db2.gz RCTJWJOEFWNPTR-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458098 791750422 /nfs/dbraw/zinc/75/04/22/791750422.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458098 791750426 /nfs/dbraw/zinc/75/04/26/791750426.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458098 791750431 /nfs/dbraw/zinc/75/04/31/791750431.db2.gz INKFNFDMGXARHY-UHFFFAOYSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148840014 791809183 /nfs/dbraw/zinc/80/91/83/791809183.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148840014 791809185 /nfs/dbraw/zinc/80/91/85/791809185.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148840014 791809189 /nfs/dbraw/zinc/80/91/89/791809189.db2.gz XZMCKHPFEZUEPR-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099548303 792237974 /nfs/dbraw/zinc/23/79/74/792237974.db2.gz SRLFQNSAKPCLQL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548303 792237980 /nfs/dbraw/zinc/23/79/80/792237980.db2.gz SRLFQNSAKPCLQL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099548303 792237990 /nfs/dbraw/zinc/23/79/90/792237990.db2.gz SRLFQNSAKPCLQL-MLHJIOFPSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403354 792631887 /nfs/dbraw/zinc/63/18/87/792631887.db2.gz KYUCGKYAJXMUBF-LXPRWKDFSA-N 2 1 321.509 2.415 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101036707 792978058 /nfs/dbraw/zinc/97/80/58/792978058.db2.gz ZAVLNLDQWSCVPL-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345226 793130551 /nfs/dbraw/zinc/13/05/51/793130551.db2.gz ZVBBDKIQEKHNIW-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400160 793144491 /nfs/dbraw/zinc/14/44/91/793144491.db2.gz JEKIEJDQJJLCJX-SCTDSRPQSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337741 793274201 /nfs/dbraw/zinc/27/42/01/793274201.db2.gz SBSXVWYVJRZFAN-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337678 793579773 /nfs/dbraw/zinc/57/97/73/793579773.db2.gz OBVMNHYLFQULHF-BPLDGKMQSA-N 2 1 315.889 2.009 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595617 /nfs/dbraw/zinc/59/56/17/793595617.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595621 /nfs/dbraw/zinc/59/56/21/793595621.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102376979 793595625 /nfs/dbraw/zinc/59/56/25/793595625.db2.gz HPQOQDPRKNAMDZ-HZPDHXFCSA-N 2 1 309.498 2.225 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103083916 793934702 /nfs/dbraw/zinc/93/47/02/793934702.db2.gz OYNLOESGFFEAMQ-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083916 793934706 /nfs/dbraw/zinc/93/47/06/793934706.db2.gz OYNLOESGFFEAMQ-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103083916 793934711 /nfs/dbraw/zinc/93/47/11/793934711.db2.gz OYNLOESGFFEAMQ-KZNAEPCWSA-N 2 1 321.509 2.225 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439473 794094734 /nfs/dbraw/zinc/09/47/34/794094734.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439473 794094737 /nfs/dbraw/zinc/09/47/37/794094737.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439473 794094746 /nfs/dbraw/zinc/09/47/46/794094746.db2.gz CHSRAVQWQWKMGV-IAGOWNOFSA-N 2 1 321.509 2.062 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644778 794174826 /nfs/dbraw/zinc/17/48/26/794174826.db2.gz QGEHSELKGRTYRQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644778 794174834 /nfs/dbraw/zinc/17/48/34/794174834.db2.gz QGEHSELKGRTYRQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644778 794174840 /nfs/dbraw/zinc/17/48/40/794174840.db2.gz QGEHSELKGRTYRQ-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782291 794479675 /nfs/dbraw/zinc/47/96/75/794479675.db2.gz CCTYNSFVWUWHKY-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782291 794479681 /nfs/dbraw/zinc/47/96/81/794479681.db2.gz CCTYNSFVWUWHKY-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782291 794479686 /nfs/dbraw/zinc/47/96/86/794479686.db2.gz CCTYNSFVWUWHKY-SCTDSRPQSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869738 794506911 /nfs/dbraw/zinc/50/69/11/794506911.db2.gz HYIXQRFDHRBNQB-SCTDSRPQSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869737 794507453 /nfs/dbraw/zinc/50/74/53/794507453.db2.gz HYIXQRFDHRBNQB-LNLFQRSKSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003936 794543291 /nfs/dbraw/zinc/54/32/91/794543291.db2.gz HOHUTKLFENBRHK-HKUYNNGSSA-N 2 1 319.493 2.409 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285170 794588223 /nfs/dbraw/zinc/58/82/23/794588223.db2.gz OKMBATWBZATFCP-SCTDSRPQSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456393 794669830 /nfs/dbraw/zinc/66/98/30/794669830.db2.gz UAYINHBHPWONAE-UHFFFAOYSA-N 2 1 321.509 2.350 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115081626 794674770 /nfs/dbraw/zinc/67/47/70/794674770.db2.gz UVDXVPBLFSRPMM-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081626 794674772 /nfs/dbraw/zinc/67/47/72/794674772.db2.gz UVDXVPBLFSRPMM-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115081626 794674777 /nfs/dbraw/zinc/67/47/77/794674777.db2.gz UVDXVPBLFSRPMM-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243088 794712690 /nfs/dbraw/zinc/71/26/90/794712690.db2.gz ITAGNIGRTILKJA-VQFNDLOPSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115759371 794910614 /nfs/dbraw/zinc/91/06/14/794910614.db2.gz APHKSYDYTDNUQP-KRWDZBQOSA-N 2 1 319.493 2.291 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773334 794915762 /nfs/dbraw/zinc/91/57/62/794915762.db2.gz XVSMPVNSIAUQPF-UHFFFAOYSA-N 2 1 316.449 2.014 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178828230 795007643 /nfs/dbraw/zinc/00/76/43/795007643.db2.gz RXKPNWZGBIIXTL-OAHLLOKOSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904878 795560201 /nfs/dbraw/zinc/56/02/01/795560201.db2.gz WTMHOIZPXDMOES-SOLBZPMBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125137 795607131 /nfs/dbraw/zinc/60/71/31/795607131.db2.gz PPOJTVBATDBVLR-MLGOLLRUSA-N 2 1 324.856 2.018 20 30 DEEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185660021 796300844 /nfs/dbraw/zinc/30/08/44/796300844.db2.gz VNWVGBKZNHOBEJ-IAGOWNOFSA-N 2 1 309.498 2.489 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106925 796482918 /nfs/dbraw/zinc/48/29/18/796482918.db2.gz QVBAYOXPFPAPGN-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000120850125 796573518 /nfs/dbraw/zinc/57/35/18/796573518.db2.gz SAKZHSYMDOYGJS-UHFFFAOYSA-N 2 1 307.397 2.416 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190174183 796953560 /nfs/dbraw/zinc/95/35/60/796953560.db2.gz DADQESPZBWWXBW-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190656944 797048714 /nfs/dbraw/zinc/04/87/14/797048714.db2.gz YEKUHEQUXMENRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656944 797048720 /nfs/dbraw/zinc/04/87/20/797048720.db2.gz YEKUHEQUXMENRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190656944 797048726 /nfs/dbraw/zinc/04/87/26/797048726.db2.gz YEKUHEQUXMENRV-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675775 797055461 /nfs/dbraw/zinc/05/54/61/797055461.db2.gz WSPWGVCUEJVNEF-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675775 797055469 /nfs/dbraw/zinc/05/54/69/797055469.db2.gz WSPWGVCUEJVNEF-DOTOQJQBSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316817 797360784 /nfs/dbraw/zinc/36/07/84/797360784.db2.gz QEAVAJWVUZGIKR-CABCVRRESA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192316817 797360790 /nfs/dbraw/zinc/36/07/90/797360790.db2.gz QEAVAJWVUZGIKR-CABCVRRESA-N 2 1 315.889 2.392 20 30 DEEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153654444 797371517 /nfs/dbraw/zinc/37/15/17/797371517.db2.gz XDLSLTRCTQPTRV-HUUCEWRRSA-N 2 1 301.450 2.069 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001192427116 797381008 /nfs/dbraw/zinc/38/10/08/797381008.db2.gz WKUIDAIMCKOMQR-BZUAXINKSA-N 2 1 316.449 2.023 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818966 797403460 /nfs/dbraw/zinc/40/34/60/797403460.db2.gz HSNKCROQPKSASP-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818966 797403464 /nfs/dbraw/zinc/40/34/64/797403464.db2.gz HSNKCROQPKSASP-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818966 797403470 /nfs/dbraw/zinc/40/34/70/797403470.db2.gz HSNKCROQPKSASP-SJLPKXTDSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671000 797429082 /nfs/dbraw/zinc/42/90/82/797429082.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671000 797429089 /nfs/dbraw/zinc/42/90/89/797429089.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671000 797429093 /nfs/dbraw/zinc/42/90/93/797429093.db2.gz DKKGWACKFKGWBQ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464517 797539898 /nfs/dbraw/zinc/53/98/98/797539898.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464517 797539902 /nfs/dbraw/zinc/53/99/02/797539902.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464517 797539904 /nfs/dbraw/zinc/53/99/04/797539904.db2.gz NWNMYHRBTLPVQV-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001154464803 797539949 /nfs/dbraw/zinc/53/99/49/797539949.db2.gz ZAPSQCIHPZZMKR-MRXNPFEDSA-N 2 1 307.482 2.101 20 30 DEEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194011595 797662553 /nfs/dbraw/zinc/66/25/53/797662553.db2.gz VGQFSGCZTFULQP-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194011595 797662556 /nfs/dbraw/zinc/66/25/56/797662556.db2.gz VGQFSGCZTFULQP-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194011595 797662559 /nfs/dbraw/zinc/66/25/59/797662559.db2.gz VGQFSGCZTFULQP-IRXDYDNUSA-N 2 1 309.498 2.441 20 30 DEEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839198 797861561 /nfs/dbraw/zinc/86/15/61/797861561.db2.gz RCFWWTYMBHUGSE-MRXNPFEDSA-N 2 1 315.461 2.212 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965339 798315950 /nfs/dbraw/zinc/31/59/50/798315950.db2.gz ZKYNNKOIRVBILG-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227786 798364528 /nfs/dbraw/zinc/36/45/28/798364528.db2.gz PXANUTTXHWEALQ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227786 798364535 /nfs/dbraw/zinc/36/45/35/798364535.db2.gz PXANUTTXHWEALQ-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=CCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158354666 798390620 /nfs/dbraw/zinc/39/06/20/798390620.db2.gz KBKJMLNMDSTDGP-HNNXBMFYSA-N 2 1 306.454 2.459 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001160209378 798662413 /nfs/dbraw/zinc/66/24/13/798662413.db2.gz KDWCKALAROKOLQ-INIZCTEOSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC(C)(C)C ZINC001160209378 798662415 /nfs/dbraw/zinc/66/24/15/798662415.db2.gz KDWCKALAROKOLQ-INIZCTEOSA-N 2 1 307.482 2.006 20 30 DEEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285130 798670509 /nfs/dbraw/zinc/67/05/09/798670509.db2.gz BKAGTYXMMQRXPB-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285130 798670512 /nfs/dbraw/zinc/67/05/12/798670512.db2.gz BKAGTYXMMQRXPB-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285130 798670514 /nfs/dbraw/zinc/67/05/14/798670514.db2.gz BKAGTYXMMQRXPB-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160399566 798683241 /nfs/dbraw/zinc/68/32/41/798683241.db2.gz AHEJUDJISMKOQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160399566 798683247 /nfs/dbraw/zinc/68/32/47/798683247.db2.gz AHEJUDJISMKOQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160399566 798683250 /nfs/dbraw/zinc/68/32/50/798683250.db2.gz AHEJUDJISMKOQM-GOSISDBHSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001160952918 798769541 /nfs/dbraw/zinc/76/95/41/798769541.db2.gz IMTBKBAFVMTRJP-HNNXBMFYSA-N 2 1 301.438 2.448 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153654284 799088546 /nfs/dbraw/zinc/08/85/46/799088546.db2.gz TWHIIGKDSVIMGH-KGLIPLIRSA-N 2 1 321.868 2.245 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153654284 799088553 /nfs/dbraw/zinc/08/85/53/799088553.db2.gz TWHIIGKDSVIMGH-KGLIPLIRSA-N 2 1 321.868 2.245 20 30 DEEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203421174 800044169 /nfs/dbraw/zinc/04/41/69/800044169.db2.gz ZNDHSIRLOLNYIJ-CVEARBPZSA-N 2 1 319.493 2.311 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549243 800552665 /nfs/dbraw/zinc/55/26/65/800552665.db2.gz XCADTMHFCZWPRF-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207601272 800786764 /nfs/dbraw/zinc/78/67/64/800786764.db2.gz GAMJQMMZBABAIB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207601272 800786772 /nfs/dbraw/zinc/78/67/72/800786772.db2.gz GAMJQMMZBABAIB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207601272 800786777 /nfs/dbraw/zinc/78/67/77/800786777.db2.gz GAMJQMMZBABAIB-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001208340993 800960133 /nfs/dbraw/zinc/96/01/33/800960133.db2.gz SPPJILYYDHGLJY-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001208352522 800962350 /nfs/dbraw/zinc/96/23/50/800962350.db2.gz HTAKOWHEZCPHHB-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001208352522 800962354 /nfs/dbraw/zinc/96/23/54/800962354.db2.gz HTAKOWHEZCPHHB-MSOLQXFVSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208361545 800967279 /nfs/dbraw/zinc/96/72/79/800967279.db2.gz FUADRNQGGLNJHN-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208604758 801025951 /nfs/dbraw/zinc/02/59/51/801025951.db2.gz TYCQUXFBVKUUJO-INIZCTEOSA-N 2 1 309.454 2.095 20 30 DEEDMP C=CCCCCC[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001209423505 801190208 /nfs/dbraw/zinc/19/02/08/801190208.db2.gz VWTXZHPJXHPQST-UHFFFAOYSA-N 2 1 307.482 2.409 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229127035 801228287 /nfs/dbraw/zinc/22/82/87/801228287.db2.gz RBFCQYGKRVSAHB-IAGOWNOFSA-N 2 1 316.449 2.012 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612714 801436570 /nfs/dbraw/zinc/43/65/70/801436570.db2.gz DWXPLWVUVHHWNZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612714 801436575 /nfs/dbraw/zinc/43/65/75/801436575.db2.gz DWXPLWVUVHHWNZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612714 801436578 /nfs/dbraw/zinc/43/65/78/801436578.db2.gz DWXPLWVUVHHWNZ-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210773437 801462192 /nfs/dbraw/zinc/46/21/92/801462192.db2.gz JBOLUJNYFNXLGR-AWEZNQCLSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214888978 801772909 /nfs/dbraw/zinc/77/29/09/801772909.db2.gz FIFDQCIMDAMSGV-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215551728 801876008 /nfs/dbraw/zinc/87/60/08/801876008.db2.gz XUBBZXOBTZWLPK-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234402270 802368559 /nfs/dbraw/zinc/36/85/59/802368559.db2.gz KHUDBMOWGIUNTI-YESZJQIVSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544632 802590687 /nfs/dbraw/zinc/59/06/87/802590687.db2.gz ZOSDKFWXYIBNOG-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544632 802590693 /nfs/dbraw/zinc/59/06/93/802590693.db2.gz ZOSDKFWXYIBNOG-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544632 802590699 /nfs/dbraw/zinc/59/06/99/802590699.db2.gz ZOSDKFWXYIBNOG-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221972632 802630390 /nfs/dbraw/zinc/63/03/90/802630390.db2.gz BGWWOBILUKQJDS-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221972632 802630391 /nfs/dbraw/zinc/63/03/91/802630391.db2.gz BGWWOBILUKQJDS-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221972632 802630392 /nfs/dbraw/zinc/63/03/92/802630392.db2.gz BGWWOBILUKQJDS-BRWVUGGUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223471557 802793154 /nfs/dbraw/zinc/79/31/54/802793154.db2.gz AOLAGKCPTLOUNH-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168026 802942308 /nfs/dbraw/zinc/94/23/08/802942308.db2.gz JXLUKCQRRINVSN-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245155 802946487 /nfs/dbraw/zinc/94/64/87/802946487.db2.gz QLNHRKLVIJFBJK-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225245155 802946489 /nfs/dbraw/zinc/94/64/89/802946489.db2.gz QLNHRKLVIJFBJK-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228114091 803320640 /nfs/dbraw/zinc/32/06/40/803320640.db2.gz PRWMUGKDRLHSJC-UHFFFAOYSA-N 2 1 307.482 2.406 20 30 DEEDMP C#CC[N@@H+](CCOC(C)C)C1CCN(CCOC(C)C)CC1 ZINC001330723064 1149272578 /nfs/dbraw/zinc/27/25/78/1149272578.db2.gz WOAPMHQDXHLBOP-UHFFFAOYSA-N 2 1 310.482 2.236 20 30 DEEDMP C#CC[N@H+](CCOC(C)C)C1CCN(CCOC(C)C)CC1 ZINC001330723064 1149272589 /nfs/dbraw/zinc/27/25/89/1149272589.db2.gz WOAPMHQDXHLBOP-UHFFFAOYSA-N 2 1 310.482 2.236 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001500196923 1058581005 /nfs/dbraw/zinc/58/10/05/1058581005.db2.gz FWBFNSPMCXCXCW-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001500196923 1058581028 /nfs/dbraw/zinc/58/10/28/1058581028.db2.gz FWBFNSPMCXCXCW-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001500196923 1058581051 /nfs/dbraw/zinc/58/10/51/1058581051.db2.gz FWBFNSPMCXCXCW-FUHWJXTLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135520 1059981391 /nfs/dbraw/zinc/98/13/91/1059981391.db2.gz MBHCQDNYXLVYEZ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001502833958 1060342304 /nfs/dbraw/zinc/34/23/04/1060342304.db2.gz CHTTUPXUBLEJIM-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C(C)(C)C1 ZINC001502833958 1060342326 /nfs/dbraw/zinc/34/23/26/1060342326.db2.gz CHTTUPXUBLEJIM-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001503691618 1060460816 /nfs/dbraw/zinc/46/08/16/1060460816.db2.gz NNFWLXMAEHIPNU-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001503691618 1060460837 /nfs/dbraw/zinc/46/08/37/1060460837.db2.gz NNFWLXMAEHIPNU-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001503691618 1060460849 /nfs/dbraw/zinc/46/08/49/1060460849.db2.gz NNFWLXMAEHIPNU-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001503691618 1060460870 /nfs/dbraw/zinc/46/08/70/1060460870.db2.gz NNFWLXMAEHIPNU-SFHVURJKSA-N 2 1 315.461 2.230 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001474552455 1060893138 /nfs/dbraw/zinc/89/31/38/1060893138.db2.gz KJSVZKDSAIEVPG-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001474552455 1060893151 /nfs/dbraw/zinc/89/31/51/1060893151.db2.gz KJSVZKDSAIEVPG-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@@H+](C)CCCN[C@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552455 1060893159 /nfs/dbraw/zinc/89/31/59/1060893159.db2.gz KJSVZKDSAIEVPG-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C#CC[N@H+](C)CCCN[C@H]1C[C@@H](C)C[NH+](Cc2ccccc2)C1 ZINC001474552455 1060893175 /nfs/dbraw/zinc/89/31/75/1060893175.db2.gz KJSVZKDSAIEVPG-QUCCMNQESA-N 2 1 313.489 2.442 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479415534 1061448006 /nfs/dbraw/zinc/44/80/06/1061448006.db2.gz DAHOTRISTFENAE-SZMVWBNQSA-N 2 1 315.461 2.350 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001479734846 1061659657 /nfs/dbraw/zinc/65/96/57/1061659657.db2.gz UJVYPDPCIZLYOH-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001479734846 1061659671 /nfs/dbraw/zinc/65/96/71/1061659671.db2.gz UJVYPDPCIZLYOH-ZWKOTPCHSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479735597 1061660442 /nfs/dbraw/zinc/66/04/42/1061660442.db2.gz VOLZWIWKHDKECO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479735597 1061660449 /nfs/dbraw/zinc/66/04/49/1061660449.db2.gz VOLZWIWKHDKECO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479735597 1061660458 /nfs/dbraw/zinc/66/04/58/1061660458.db2.gz VOLZWIWKHDKECO-IXDOHACOSA-N 2 1 307.482 2.216 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479737254 1061664240 /nfs/dbraw/zinc/66/42/40/1061664240.db2.gz JGCPIUBDOHGAEO-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001507016321 1062677948 /nfs/dbraw/zinc/67/79/48/1062677948.db2.gz WQXOJOJSVCDMOS-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480361260 1062710647 /nfs/dbraw/zinc/71/06/47/1062710647.db2.gz JWPGDFBUKOSCGV-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480381525 1062760131 /nfs/dbraw/zinc/76/01/31/1062760131.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381525 1062760149 /nfs/dbraw/zinc/76/01/49/1062760149.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480381525 1062760161 /nfs/dbraw/zinc/76/01/61/1062760161.db2.gz CTPPQZKNBMKCAO-IRXDYDNUSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001480728815 1063256887 /nfs/dbraw/zinc/25/68/87/1063256887.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480728815 1063256906 /nfs/dbraw/zinc/25/69/06/1063256906.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001480728815 1063256924 /nfs/dbraw/zinc/25/69/24/1063256924.db2.gz ANMCCTSSAKVOLS-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961976 1063479239 /nfs/dbraw/zinc/47/92/39/1063479239.db2.gz QVNNTMBRVDMJFC-DLBZAZTESA-N 2 1 319.493 2.171 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC=C)C(C)(C)C ZINC001507961976 1063479249 /nfs/dbraw/zinc/47/92/49/1063479249.db2.gz QVNNTMBRVDMJFC-DLBZAZTESA-N 2 1 319.493 2.171 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001508230312 1063624176 /nfs/dbraw/zinc/62/41/76/1063624176.db2.gz TXMJGOPXGXYJPR-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001493695010 1063921220 /nfs/dbraw/zinc/92/12/20/1063921220.db2.gz CETYBUYNVKOLGL-QGZVFWFLSA-N 2 1 313.461 2.213 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001494041542 1064097878 /nfs/dbraw/zinc/09/78/78/1064097878.db2.gz AYOAAOJBOVIVDG-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494041542 1064097887 /nfs/dbraw/zinc/09/78/87/1064097887.db2.gz AYOAAOJBOVIVDG-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494041542 1064097892 /nfs/dbraw/zinc/09/78/92/1064097892.db2.gz AYOAAOJBOVIVDG-BBWFWOEESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001567660100 1064324708 /nfs/dbraw/zinc/32/47/08/1064324708.db2.gz SWLXPWVGIDRCED-OKZBNKHCSA-N 2 1 315.461 2.350 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001567701330 1064358271 /nfs/dbraw/zinc/35/82/71/1064358271.db2.gz HFQIMTGOIMAABW-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567701330 1064358280 /nfs/dbraw/zinc/35/82/80/1064358280.db2.gz HFQIMTGOIMAABW-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567701330 1064358293 /nfs/dbraw/zinc/35/82/93/1064358293.db2.gz HFQIMTGOIMAABW-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494917570 1064576024 /nfs/dbraw/zinc/57/60/24/1064576024.db2.gz MPSYQOMFQSAJHF-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001494917570 1064576036 /nfs/dbraw/zinc/57/60/36/1064576036.db2.gz MPSYQOMFQSAJHF-QGZVFWFLSA-N 2 1 318.465 2.471 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001568112460 1064652401 /nfs/dbraw/zinc/65/24/01/1064652401.db2.gz ZANSNENYGPEHCW-KZNAEPCWSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001568401565 1064839418 /nfs/dbraw/zinc/83/94/18/1064839418.db2.gz VSMCUFAVTPDPAH-GJZGRUSLSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001495728878 1065077117 /nfs/dbraw/zinc/07/71/17/1065077117.db2.gz KCIJDKCSUGYRJV-GDBMZVCRSA-N 2 1 318.465 2.062 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C ZINC001568866101 1065164688 /nfs/dbraw/zinc/16/46/88/1065164688.db2.gz QHWQSZITPCCBHU-LXXRFIIISA-N 2 1 319.493 2.172 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C ZINC001568866101 1065164695 /nfs/dbraw/zinc/16/46/95/1065164695.db2.gz QHWQSZITPCCBHU-LXXRFIIISA-N 2 1 319.493 2.172 20 30 DEEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CCCCC1 ZINC001496313141 1065402732 /nfs/dbraw/zinc/40/27/32/1065402732.db2.gz VYQCCRPSZXZEPU-MSOLQXFVSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001496457923 1065482056 /nfs/dbraw/zinc/48/20/56/1065482056.db2.gz AQFZLHNUURZHQR-UKRRQHHQSA-N 2 1 324.856 2.161 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001569550291 1065586327 /nfs/dbraw/zinc/58/63/27/1065586327.db2.gz VLFKFRNQWMTUON-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001570045074 1065899292 /nfs/dbraw/zinc/89/92/92/1065899292.db2.gz XWKRMOLAMPFCJZ-QAETUUGQSA-N 2 1 307.482 2.167 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001570501722 1066097025 /nfs/dbraw/zinc/09/70/25/1066097025.db2.gz SMQOHFOMJKJTLV-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001570501722 1066097037 /nfs/dbraw/zinc/09/70/37/1066097037.db2.gz SMQOHFOMJKJTLV-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001570505266 1066099557 /nfs/dbraw/zinc/09/95/57/1066099557.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001570505266 1066099562 /nfs/dbraw/zinc/09/95/62/1066099562.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001570505266 1066099568 /nfs/dbraw/zinc/09/95/68/1066099568.db2.gz UFCRRNQXZJVWBN-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC001576809232 1066694452 /nfs/dbraw/zinc/69/44/52/1066694452.db2.gz QOGGAFSNTQJCFT-WMLDXEAASA-N 2 1 323.444 2.375 20 30 DEEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001499522836 1067245626 /nfs/dbraw/zinc/24/56/26/1067245626.db2.gz SXNTYLFONAEVSV-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499522836 1067245634 /nfs/dbraw/zinc/24/56/34/1067245634.db2.gz SXNTYLFONAEVSV-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001499522836 1067245642 /nfs/dbraw/zinc/24/56/42/1067245642.db2.gz SXNTYLFONAEVSV-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001499753664 1067323124 /nfs/dbraw/zinc/32/31/24/1067323124.db2.gz LICSNXJKUGDMBX-MRXNPFEDSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001570530203 1067988057 /nfs/dbraw/zinc/98/80/57/1067988057.db2.gz GPBOWENPBAXKTQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570530203 1067988062 /nfs/dbraw/zinc/98/80/62/1067988062.db2.gz GPBOWENPBAXKTQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001570530203 1067988069 /nfs/dbraw/zinc/98/80/69/1067988069.db2.gz GPBOWENPBAXKTQ-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001570544291 1067996546 /nfs/dbraw/zinc/99/65/46/1067996546.db2.gz UFGNYADXIFYEMP-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570621817 1068039492 /nfs/dbraw/zinc/03/94/92/1068039492.db2.gz OXFJYVNDMPCQQW-CVEARBPZSA-N 2 1 307.482 2.147 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001570621820 1068040236 /nfs/dbraw/zinc/04/02/36/1068040236.db2.gz OXFJYVNDMPCQQW-JKSUJKDBSA-N 2 1 307.482 2.147 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001570822879 1068129405 /nfs/dbraw/zinc/12/94/05/1068129405.db2.gz NBCUZQGURPXLJI-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822879 1068129412 /nfs/dbraw/zinc/12/94/12/1068129412.db2.gz NBCUZQGURPXLJI-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001570822879 1068129415 /nfs/dbraw/zinc/12/94/15/1068129415.db2.gz NBCUZQGURPXLJI-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001571129406 1068184973 /nfs/dbraw/zinc/18/49/73/1068184973.db2.gz GSHWYBYITJLKIB-VQHPVUNQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001571401532 1068276536 /nfs/dbraw/zinc/27/65/36/1068276536.db2.gz GFBKOXBYXQPVPL-GOEBONIOSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001571627599 1068448209 /nfs/dbraw/zinc/44/82/09/1068448209.db2.gz XAWUGSPWUMSFQM-HNNXBMFYSA-N 2 1 322.453 2.046 20 30 DEEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)cc(Cl)n1 ZINC001515877787 1068904238 /nfs/dbraw/zinc/90/42/38/1068904238.db2.gz PTCBZIYPPUZHHR-LBPRGKRZSA-N 2 1 309.845 2.291 20 30 DEEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)cc(Cl)n1 ZINC001515877787 1068904242 /nfs/dbraw/zinc/90/42/42/1068904242.db2.gz PTCBZIYPPUZHHR-LBPRGKRZSA-N 2 1 309.845 2.291 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267496197 1078921269 /nfs/dbraw/zinc/92/12/69/1078921269.db2.gz OOZIJYPORQTOQQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267496197 1078921287 /nfs/dbraw/zinc/92/12/87/1078921287.db2.gz OOZIJYPORQTOQQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267496197 1078921296 /nfs/dbraw/zinc/92/12/96/1078921296.db2.gz OOZIJYPORQTOQQ-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481174571 1079292502 /nfs/dbraw/zinc/29/25/02/1079292502.db2.gz RGAQNJLCSIOGDX-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001481174571 1079292507 /nfs/dbraw/zinc/29/25/07/1079292507.db2.gz RGAQNJLCSIOGDX-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001481174571 1079292515 /nfs/dbraw/zinc/29/25/15/1079292515.db2.gz RGAQNJLCSIOGDX-IAGOWNOFSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001481194533 1079322751 /nfs/dbraw/zinc/32/27/51/1079322751.db2.gz KTZYNOHPRRWGOJ-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001566592536 1075291947 /nfs/dbraw/zinc/29/19/47/1075291947.db2.gz RTIMDCINZMDLJR-UHFFFAOYSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001566739742 1075330979 /nfs/dbraw/zinc/33/09/79/1075330979.db2.gz IKDNOPRZKUEZQR-WMZOPIPTSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566906062 1075380407 /nfs/dbraw/zinc/38/04/07/1075380407.db2.gz IBUYSGLDMWGDAE-MRXNPFEDSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001567218352 1075466469 /nfs/dbraw/zinc/46/64/69/1075466469.db2.gz IGTLLAIRUMOBDO-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001567218352 1075466471 /nfs/dbraw/zinc/46/64/71/1075466471.db2.gz IGTLLAIRUMOBDO-WMZOPIPTSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267745369 1079444070 /nfs/dbraw/zinc/44/40/70/1079444070.db2.gz NWLFPTAARQUQNE-OAHLLOKOSA-N 2 1 312.417 2.413 20 30 DEEDMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001484554154 1079657170 /nfs/dbraw/zinc/65/71/70/1079657170.db2.gz PFOGWFLWSCCJFL-IAGOWNOFSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001484554154 1079657175 /nfs/dbraw/zinc/65/71/75/1079657175.db2.gz PFOGWFLWSCCJFL-IAGOWNOFSA-N 2 1 324.428 2.447 20 30 DEEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001484563604 1079662416 /nfs/dbraw/zinc/66/24/16/1079662416.db2.gz QZSUWWLLVINEEQ-RHSMWYFYSA-N 2 1 301.434 2.091 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCC1 ZINC001484636802 1079704906 /nfs/dbraw/zinc/70/49/06/1079704906.db2.gz JMVKFBBKAFCUAU-INIZCTEOSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC001484665041 1079717477 /nfs/dbraw/zinc/71/74/77/1079717477.db2.gz ZZABMRDRPOZSRT-UHFFFAOYSA-N 2 1 315.461 2.323 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC001484665041 1079717482 /nfs/dbraw/zinc/71/74/82/1079717482.db2.gz ZZABMRDRPOZSRT-UHFFFAOYSA-N 2 1 315.461 2.323 20 30 DEEDMP C#CC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001484772234 1079787371 /nfs/dbraw/zinc/78/73/71/1079787371.db2.gz ORIKTOSKFUTHHR-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772234 1079787377 /nfs/dbraw/zinc/78/73/77/1079787377.db2.gz ORIKTOSKFUTHHR-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001484772234 1079787385 /nfs/dbraw/zinc/78/73/85/1079787385.db2.gz ORIKTOSKFUTHHR-ROUUACIJSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001481409834 1079798470 /nfs/dbraw/zinc/79/84/70/1079798470.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481409834 1079798479 /nfs/dbraw/zinc/79/84/79/1079798479.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481409834 1079798484 /nfs/dbraw/zinc/79/84/84/1079798484.db2.gz ULFDLQHBIHWGEM-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001484899905 1079843364 /nfs/dbraw/zinc/84/33/64/1079843364.db2.gz PXIFWAZBVNTNTR-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001481462697 1079910037 /nfs/dbraw/zinc/91/00/37/1079910037.db2.gz VGUXBUPOLBBHQP-KRWDZBQOSA-N 2 1 307.482 2.267 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485041869 1079926051 /nfs/dbraw/zinc/92/60/51/1079926051.db2.gz QENUCDVYVXZIMF-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001485041869 1079926053 /nfs/dbraw/zinc/92/60/53/1079926053.db2.gz QENUCDVYVXZIMF-SFHVURJKSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485068664 1079946422 /nfs/dbraw/zinc/94/64/22/1079946422.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485068664 1079946425 /nfs/dbraw/zinc/94/64/25/1079946425.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485068664 1079946428 /nfs/dbraw/zinc/94/64/28/1079946428.db2.gz GKHPDBBASORVRJ-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001656200696 1080063304 /nfs/dbraw/zinc/06/33/04/1080063304.db2.gz HNRJXIDYMLGOAB-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(=C)C ZINC001485253724 1080087795 /nfs/dbraw/zinc/08/77/95/1080087795.db2.gz HSBJCHQUMNCGNL-KRWDZBQOSA-N 2 1 319.493 2.124 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(=C)C ZINC001485253724 1080087803 /nfs/dbraw/zinc/08/78/03/1080087803.db2.gz HSBJCHQUMNCGNL-KRWDZBQOSA-N 2 1 319.493 2.124 20 30 DEEDMP C#CCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001656881843 1080132784 /nfs/dbraw/zinc/13/27/84/1080132784.db2.gz QLTGEEKJCAEMBX-IBGZPJMESA-N 2 1 300.446 2.057 20 30 DEEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001268163308 1080140400 /nfs/dbraw/zinc/14/04/00/1080140400.db2.gz UTCKVQYDRHMILK-OAHLLOKOSA-N 2 1 315.889 2.442 20 30 DEEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC001268226549 1080207936 /nfs/dbraw/zinc/20/79/36/1080207936.db2.gz BJZXZTHTVCZUSN-MSOLQXFVSA-N 2 1 315.461 2.043 20 30 DEEDMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001485470529 1080234819 /nfs/dbraw/zinc/23/48/19/1080234819.db2.gz YDXONIPMXZMWNH-JKSUJKDBSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001485706478 1080373062 /nfs/dbraw/zinc/37/30/62/1080373062.db2.gz HMHWHCMEPPNFGL-ULQDDVLXSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001485740142 1080401172 /nfs/dbraw/zinc/40/11/72/1080401172.db2.gz HYQVTDYIMRZOLD-IRXDYDNUSA-N 2 1 307.482 2.147 20 30 DEEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001272701368 1080445116 /nfs/dbraw/zinc/44/51/16/1080445116.db2.gz WANFPONRMOUNFH-DOTOQJQBSA-N 2 1 315.461 2.481 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481783668 1080502814 /nfs/dbraw/zinc/50/28/14/1080502814.db2.gz YFHVNNZDOQAPRC-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268458301 1080523057 /nfs/dbraw/zinc/52/30/57/1080523057.db2.gz KRLLFRZHZFWFAV-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001661896412 1080542100 /nfs/dbraw/zinc/54/21/00/1080542100.db2.gz OKMCDHVIZBTGSG-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036655 1080551315 /nfs/dbraw/zinc/55/13/15/1080551315.db2.gz OMTHKLCVRORWSR-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001481908522 1080597480 /nfs/dbraw/zinc/59/74/80/1080597480.db2.gz JMHMISKHKFJKPV-UHFFFAOYSA-N 2 1 301.862 2.099 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663120241 1080706373 /nfs/dbraw/zinc/70/63/73/1080706373.db2.gz RQLXWCFKWUERIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663120241 1080706379 /nfs/dbraw/zinc/70/63/79/1080706379.db2.gz RQLXWCFKWUERIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663120241 1080706384 /nfs/dbraw/zinc/70/63/84/1080706384.db2.gz RQLXWCFKWUERIF-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001663124211 1080706503 /nfs/dbraw/zinc/70/65/03/1080706503.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001663124211 1080706506 /nfs/dbraw/zinc/70/65/06/1080706506.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001663124211 1080706512 /nfs/dbraw/zinc/70/65/12/1080706512.db2.gz UDVUMZBRVZDSGZ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268539421 1080733932 /nfs/dbraw/zinc/73/39/32/1080733932.db2.gz SYGNTUBBZMPJQS-FYCOFBDGSA-N 2 1 305.466 2.089 20 30 DEEDMP C=CCCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001482060692 1080764992 /nfs/dbraw/zinc/76/49/92/1080764992.db2.gz NFDLXMIDGKNLDR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCCCCC)C1 ZINC001665671256 1081060237 /nfs/dbraw/zinc/06/02/37/1081060237.db2.gz YTKTTZBRXAIZPW-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001665671256 1081060244 /nfs/dbraw/zinc/06/02/44/1081060244.db2.gz YTKTTZBRXAIZPW-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001665671256 1081060247 /nfs/dbraw/zinc/06/02/47/1081060247.db2.gz YTKTTZBRXAIZPW-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269026393 1081089337 /nfs/dbraw/zinc/08/93/37/1081089337.db2.gz WWHUCTYWFJZSHL-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269026393 1081089342 /nfs/dbraw/zinc/08/93/42/1081089342.db2.gz WWHUCTYWFJZSHL-CABCVRRESA-N 2 1 304.438 2.163 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001666347202 1081146710 /nfs/dbraw/zinc/14/67/10/1081146710.db2.gz GIGGBVXBQJTYLB-SFHVURJKSA-N 2 1 315.461 2.310 20 30 DEEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001006446051 1081176812 /nfs/dbraw/zinc/17/68/12/1081176812.db2.gz SMWMAVDYXLNRHF-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001667426011 1081250938 /nfs/dbraw/zinc/25/09/38/1081250938.db2.gz FNAGZJVUPWXWKA-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001667426011 1081250944 /nfs/dbraw/zinc/25/09/44/1081250944.db2.gz FNAGZJVUPWXWKA-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001667426011 1081250946 /nfs/dbraw/zinc/25/09/46/1081250946.db2.gz FNAGZJVUPWXWKA-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001667566701 1081264781 /nfs/dbraw/zinc/26/47/81/1081264781.db2.gz TVZVWAJDZSPMSE-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001667566701 1081264786 /nfs/dbraw/zinc/26/47/86/1081264786.db2.gz TVZVWAJDZSPMSE-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(Cl)CN1CC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001482245478 1081379666 /nfs/dbraw/zinc/37/96/66/1081379666.db2.gz HDIIQZMEZWJQER-UHFFFAOYSA-N 2 1 313.873 2.005 20 30 DEEDMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001270486682 1081535483 /nfs/dbraw/zinc/53/54/83/1081535483.db2.gz OVISFZHSYMUVMG-RDJZCZTQSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001671748357 1081536311 /nfs/dbraw/zinc/53/63/11/1081536311.db2.gz SWNIUPAPHCMXSC-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001270513726 1081541184 /nfs/dbraw/zinc/54/11/84/1081541184.db2.gz REFWBCOSSACTDR-GOSISDBHSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]cn3)C[C@H]2C1 ZINC001672419238 1081595553 /nfs/dbraw/zinc/59/55/53/1081595553.db2.gz DBMKRSLFMSAFSO-HRCADAONSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC001672419238 1081595560 /nfs/dbraw/zinc/59/55/60/1081595560.db2.gz DBMKRSLFMSAFSO-HRCADAONSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCc3cnc[nH]3)C[C@H]2C1 ZINC001672419238 1081595565 /nfs/dbraw/zinc/59/55/65/1081595565.db2.gz DBMKRSLFMSAFSO-HRCADAONSA-N 2 1 316.449 2.087 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001673238642 1081749119 /nfs/dbraw/zinc/74/91/19/1081749119.db2.gz WXMRPRCJCSNELJ-IYBDPMFKSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001673601189 1081785057 /nfs/dbraw/zinc/78/50/57/1081785057.db2.gz FIYSMZBFQBABMA-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001674135830 1081844231 /nfs/dbraw/zinc/84/42/31/1081844231.db2.gz SFCKTTNPCRIZSA-HOTGVXAUSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266464757 1082053641 /nfs/dbraw/zinc/05/36/41/1082053641.db2.gz IBZPPGRGWLFFGN-INIZCTEOSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001266591979 1082180014 /nfs/dbraw/zinc/18/00/14/1082180014.db2.gz DQWMQHNMVLXLGD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001266591979 1082180018 /nfs/dbraw/zinc/18/00/18/1082180018.db2.gz DQWMQHNMVLXLGD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001266591979 1082180023 /nfs/dbraw/zinc/18/00/23/1082180023.db2.gz DQWMQHNMVLXLGD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001266614587 1082214233 /nfs/dbraw/zinc/21/42/33/1082214233.db2.gz JXJCOOGVIDJJPF-JFIYKMOQSA-N 2 1 317.477 2.044 20 30 DEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272046685 1082332158 /nfs/dbraw/zinc/33/21/58/1082332158.db2.gz YROMLMOGFQTGOA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046685 1082332164 /nfs/dbraw/zinc/33/21/64/1082332164.db2.gz YROMLMOGFQTGOA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272046685 1082332169 /nfs/dbraw/zinc/33/21/69/1082332169.db2.gz YROMLMOGFQTGOA-IRXDYDNUSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001266915543 1082450469 /nfs/dbraw/zinc/45/04/69/1082450469.db2.gz JTWNAFSHEIFNOZ-KLAILNCOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001266917214 1082451671 /nfs/dbraw/zinc/45/16/71/1082451671.db2.gz VDIQZCYFZMNYEI-UHFFFAOYSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001266917214 1082451677 /nfs/dbraw/zinc/45/16/77/1082451677.db2.gz VDIQZCYFZMNYEI-UHFFFAOYSA-N 2 1 315.461 2.321 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444455 1083400049 /nfs/dbraw/zinc/40/00/49/1083400049.db2.gz JCBDCCBOCGMROI-SOLBZPMBSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001276912871 1083677077 /nfs/dbraw/zinc/67/70/77/1083677077.db2.gz PJXVRWUYRCHYHS-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276912871 1083677082 /nfs/dbraw/zinc/67/70/82/1083677082.db2.gz PJXVRWUYRCHYHS-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276912871 1083677087 /nfs/dbraw/zinc/67/70/87/1083677087.db2.gz PJXVRWUYRCHYHS-KDURUIRLSA-N 2 1 321.509 2.465 20 30 DEEDMP Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC001277064259 1083757678 /nfs/dbraw/zinc/75/76/78/1083757678.db2.gz IIMDVOGZMWCMHR-HDICACEKSA-N 2 1 321.428 2.453 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001490902011 1083875039 /nfs/dbraw/zinc/87/50/39/1083875039.db2.gz BFFVDKDLCZLRPS-VQHPVUNQSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339671 1083947199 /nfs/dbraw/zinc/94/71/99/1083947199.db2.gz JVWKKJZNCWFHAN-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281496995 1084010893 /nfs/dbraw/zinc/01/08/93/1084010893.db2.gz DBJBKCJXPIPLLT-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001277644093 1084071757 /nfs/dbraw/zinc/07/17/57/1084071757.db2.gz JQCVLPVDTCAXGC-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001277644093 1084071765 /nfs/dbraw/zinc/07/17/65/1084071765.db2.gz JQCVLPVDTCAXGC-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001491173804 1084129364 /nfs/dbraw/zinc/12/93/64/1084129364.db2.gz UJMZHRUHNVDCPP-IAGOWNOFSA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001277780061 1084145822 /nfs/dbraw/zinc/14/58/22/1084145822.db2.gz ZXAFBESLNMEMNM-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CC[N@H+](CCNC(=O)CCC[NH+](C)C)C1CCCCCC1 ZINC001670976539 1084180122 /nfs/dbraw/zinc/18/01/22/1084180122.db2.gz CHZXOXZFQSSPHJ-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP C#CCC[N@@H+](CCNC(=O)Cc1cnc[nH]1)C1CCCCCC1 ZINC001670976498 1084180417 /nfs/dbraw/zinc/18/04/17/1084180417.db2.gz AQIODQPZBLWMJY-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C#CCC[N@H+](CCNC(=O)Cc1cnc[nH]1)C1CCCCCC1 ZINC001670976498 1084180421 /nfs/dbraw/zinc/18/04/21/1084180421.db2.gz AQIODQPZBLWMJY-UHFFFAOYSA-N 2 1 316.449 2.117 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486507743 1085383304 /nfs/dbraw/zinc/38/33/04/1085383304.db2.gz XEHKCFKNSXJEJT-LZLYRXPVSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001486507743 1085383311 /nfs/dbraw/zinc/38/33/11/1085383311.db2.gz XEHKCFKNSXJEJT-LZLYRXPVSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001486507743 1085383322 /nfs/dbraw/zinc/38/33/22/1085383322.db2.gz XEHKCFKNSXJEJT-LZLYRXPVSA-N 2 1 319.493 2.430 20 30 DEEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001486516304 1085388308 /nfs/dbraw/zinc/38/83/08/1085388308.db2.gz GPUGKIDLVIFLMY-KRWDZBQOSA-N 2 1 317.477 2.023 20 30 DEEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350497 1085700192 /nfs/dbraw/zinc/70/01/92/1085700192.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961350497 1085700203 /nfs/dbraw/zinc/70/02/03/1085700203.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000961350497 1085700212 /nfs/dbraw/zinc/70/02/12/1085700212.db2.gz XJNAFPAPLVDGFV-ROUUACIJSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038730 1086064037 /nfs/dbraw/zinc/06/40/37/1086064037.db2.gz HUVLVZFXRYEROY-IBGZPJMESA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963787149 1086558642 /nfs/dbraw/zinc/55/86/42/1086558642.db2.gz GVFUVJWWJBAFGF-HVEGKCCWSA-N 2 1 305.466 2.062 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662506 1087833280 /nfs/dbraw/zinc/83/32/80/1087833280.db2.gz LHSIQWXVDGGGDH-NCOADZHNSA-N 2 1 319.493 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700372 1089147996 /nfs/dbraw/zinc/14/79/96/1089147996.db2.gz YOBZFNTXZCCECT-NVXWUHKLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356068 1090275328 /nfs/dbraw/zinc/27/53/28/1090275328.db2.gz YAIPGANAKGZEQS-ARFHVFGLSA-N 2 1 316.449 2.115 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001084356068 1090275333 /nfs/dbraw/zinc/27/53/33/1090275333.db2.gz YAIPGANAKGZEQS-ARFHVFGLSA-N 2 1 316.449 2.115 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084475326 1090308506 /nfs/dbraw/zinc/30/85/06/1090308506.db2.gz IXTSLZDBDZNZAO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084475326 1090308513 /nfs/dbraw/zinc/30/85/13/1090308513.db2.gz IXTSLZDBDZNZAO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084475326 1090308517 /nfs/dbraw/zinc/30/85/17/1090308517.db2.gz IXTSLZDBDZNZAO-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521463 1090316230 /nfs/dbraw/zinc/31/62/30/1090316230.db2.gz GLLHVOXOONHXST-RHSMWYFYSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016973 1090592057 /nfs/dbraw/zinc/59/20/57/1090592057.db2.gz ZKLOATWIWXESKT-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016973 1090592061 /nfs/dbraw/zinc/59/20/61/1090592061.db2.gz ZKLOATWIWXESKT-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016973 1090592067 /nfs/dbraw/zinc/59/20/67/1090592067.db2.gz ZKLOATWIWXESKT-MHORFTMASA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001274623874 1091334806 /nfs/dbraw/zinc/33/48/06/1091334806.db2.gz NRTUZSIRNOBEKD-GJZGRUSLSA-N 2 1 304.438 2.278 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2cnc[nH]2)C[C@@H]1C ZINC001274623874 1091334815 /nfs/dbraw/zinc/33/48/15/1091334815.db2.gz NRTUZSIRNOBEKD-GJZGRUSLSA-N 2 1 304.438 2.278 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001275024730 1091519025 /nfs/dbraw/zinc/51/90/25/1091519025.db2.gz PFBWDNAIEQLOJT-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CCCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275126557 1091571896 /nfs/dbraw/zinc/57/18/96/1091571896.db2.gz LTGPPLRWSJWBMJ-HZPDHXFCSA-N 2 1 307.482 2.099 20 30 DEEDMP CCCCCCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275130774 1091575190 /nfs/dbraw/zinc/57/51/90/1091575190.db2.gz GCBOMMONSYXHKV-HDICACEKSA-N 2 1 311.514 2.294 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001275185481 1091605341 /nfs/dbraw/zinc/60/53/41/1091605341.db2.gz VKDRDBJRRCUBFH-IKJBURDNSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC001275185481 1091605346 /nfs/dbraw/zinc/60/53/46/1091605346.db2.gz VKDRDBJRRCUBFH-IKJBURDNSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001275189879 1091608741 /nfs/dbraw/zinc/60/87/41/1091608741.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001275189879 1091608745 /nfs/dbraw/zinc/60/87/45/1091608745.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001275189879 1091608754 /nfs/dbraw/zinc/60/87/54/1091608754.db2.gz BRDQCODAHAJSFV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726418 1091902990 /nfs/dbraw/zinc/90/29/90/1091902990.db2.gz QHBSPRBFKUNRCN-MRXNPFEDSA-N 2 1 319.449 2.454 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001691745904 1138293094 /nfs/dbraw/zinc/29/30/94/1138293094.db2.gz VZIDSBKCXOKOIO-XMTFNYHQSA-N 2 1 319.493 2.454 20 30 DEEDMP C[NH+]1CCC2(CC[N@@H+](Cc3cn4cc(C#N)ccc4n3)C2)CC1 ZINC001237606294 1138710505 /nfs/dbraw/zinc/71/05/05/1138710505.db2.gz JROOZMAZDJTBGH-UHFFFAOYSA-N 2 1 309.417 2.124 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491799933 1140314676 /nfs/dbraw/zinc/31/46/76/1140314676.db2.gz BBIKLSMGBJTWGT-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001318475201 1140343284 /nfs/dbraw/zinc/34/32/84/1140343284.db2.gz YYFNHPZIYVVBQX-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C=CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001319019373 1140490689 /nfs/dbraw/zinc/49/06/89/1140490689.db2.gz KXFKVFHBRBXRMI-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C1CCCCC1 ZINC001319655433 1140644818 /nfs/dbraw/zinc/64/48/18/1140644818.db2.gz KWSFTSDXEBOIBS-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C1CCCCC1 ZINC001319655433 1140644830 /nfs/dbraw/zinc/64/48/30/1140644830.db2.gz KWSFTSDXEBOIBS-ROUUACIJSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246306298 1140883090 /nfs/dbraw/zinc/88/30/90/1140883090.db2.gz VGMGAIHSHKVOCM-YOEHRIQHSA-N 2 1 320.408 2.109 20 30 DEEDMP C=CCOc1ccc(-c2noc([C@H]([NH3+])CCC[NH3+])n2)c(F)c1 ZINC001247508467 1141370286 /nfs/dbraw/zinc/37/02/86/1141370286.db2.gz RRCJIHPZPCRYNQ-CYBMUJFWSA-N 2 1 306.341 2.179 20 30 DEEDMP C=CC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001247967717 1141653488 /nfs/dbraw/zinc/65/34/88/1141653488.db2.gz QLQSVGXKQMLYNO-HNNXBMFYSA-N 2 1 313.405 2.064 20 30 DEEDMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001248194616 1141724168 /nfs/dbraw/zinc/72/41/68/1141724168.db2.gz LSJGYJCMYHMYSZ-AWEZNQCLSA-N 2 1 317.368 2.479 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CCCC1 ZINC001324498802 1142089133 /nfs/dbraw/zinc/08/91/33/1142089133.db2.gz XKVKGPJJUKBVMF-KRWDZBQOSA-N 2 1 321.509 2.252 20 30 DEEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324558192 1142103118 /nfs/dbraw/zinc/10/31/18/1142103118.db2.gz YUJOHQMNAPDVCZ-LJQANCHMSA-N 2 1 319.493 2.056 20 30 DEEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001278656630 1142665763 /nfs/dbraw/zinc/66/57/63/1142665763.db2.gz NTBOQMRRKWZGCF-QGZVFWFLSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001252597108 1142778089 /nfs/dbraw/zinc/77/80/89/1142778089.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001252597108 1142778102 /nfs/dbraw/zinc/77/81/02/1142778102.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597108 1142778116 /nfs/dbraw/zinc/77/81/16/1142778116.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 2 1 310.482 2.136 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001252597108 1142778127 /nfs/dbraw/zinc/77/81/27/1142778127.db2.gz WVODKYQCZKWRJI-MSOLQXFVSA-N 2 1 310.482 2.136 20 30 DEEDMP C[NH+]1CCC(C[NH+]2CCN(C3CCC(C#N)CC3)CC2)CC1 ZINC001256972160 1143877560 /nfs/dbraw/zinc/87/75/60/1143877560.db2.gz SAMPVCJMFVIONZ-UHFFFAOYSA-N 2 1 304.482 2.028 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001258727257 1144035940 /nfs/dbraw/zinc/03/59/40/1144035940.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 2 1 303.454 2.027 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001258727257 1144035943 /nfs/dbraw/zinc/03/59/43/1144035943.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 2 1 303.454 2.027 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001258727257 1144035947 /nfs/dbraw/zinc/03/59/47/1144035947.db2.gz CXKZDEOMQXVIAG-YVSFHVDLSA-N 2 1 303.454 2.027 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001263820678 1144400282 /nfs/dbraw/zinc/40/02/82/1144400282.db2.gz DWFLZTPNSIATFH-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001264043237 1144448741 /nfs/dbraw/zinc/44/87/41/1144448741.db2.gz NYHLLXWOHSSUFW-QGZVFWFLSA-N 2 1 307.482 2.102 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001264424396 1144536592 /nfs/dbraw/zinc/53/65/92/1144536592.db2.gz GWBIWXAXSMWGLG-LUKYLMHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001264435370 1144539213 /nfs/dbraw/zinc/53/92/13/1144539213.db2.gz HICNWHNEFKCCTM-QAETUUGQSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001264497322 1144547280 /nfs/dbraw/zinc/54/72/80/1144547280.db2.gz QZJCBRGTPKZUHR-MRXNPFEDSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587111 /nfs/dbraw/zinc/58/71/11/1144587111.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587117 /nfs/dbraw/zinc/58/71/17/1144587117.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001264658132 1144587128 /nfs/dbraw/zinc/58/71/28/1144587128.db2.gz CQNSSBHNCDJPKG-KURKYZTESA-N 2 1 321.509 2.462 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001265026023 1144627971 /nfs/dbraw/zinc/62/79/71/1144627971.db2.gz QBQIAZJOCODSJB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001265026023 1144627965 /nfs/dbraw/zinc/62/79/65/1144627965.db2.gz QBQIAZJOCODSJB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001265026023 1144627967 /nfs/dbraw/zinc/62/79/67/1144627967.db2.gz QBQIAZJOCODSJB-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265286068 1144683110 /nfs/dbraw/zinc/68/31/10/1144683110.db2.gz MYVKDAGKDVSFTD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265286068 1144683117 /nfs/dbraw/zinc/68/31/17/1144683117.db2.gz MYVKDAGKDVSFTD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001265286068 1144683122 /nfs/dbraw/zinc/68/31/22/1144683122.db2.gz MYVKDAGKDVSFTD-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001279288716 1144820297 /nfs/dbraw/zinc/82/02/97/1144820297.db2.gz LYSWOWMCDGRIKE-BZSNNMDCSA-N 2 1 321.509 2.417 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001280315949 1144835491 /nfs/dbraw/zinc/83/54/91/1144835491.db2.gz USFPDOBREPFZJS-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001280315949 1144835492 /nfs/dbraw/zinc/83/54/92/1144835492.db2.gz USFPDOBREPFZJS-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001280315949 1144835494 /nfs/dbraw/zinc/83/54/94/1144835494.db2.gz USFPDOBREPFZJS-GOSISDBHSA-N 2 1 315.461 2.405 20 30 DEEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001280333137 1144835984 /nfs/dbraw/zinc/83/59/84/1144835984.db2.gz HDZWKYXXGCHHNB-UHFFFAOYSA-N 2 1 303.450 2.262 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001280746998 1144852499 /nfs/dbraw/zinc/85/24/99/1144852499.db2.gz NAMSLFXAYFZMQC-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001281834090 1144915877 /nfs/dbraw/zinc/91/58/77/1144915877.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001281834090 1144915879 /nfs/dbraw/zinc/91/58/79/1144915879.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001281834090 1144915881 /nfs/dbraw/zinc/91/58/81/1144915881.db2.gz UMHTZOQGOIIUTJ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001282269816 1145026354 /nfs/dbraw/zinc/02/63/54/1145026354.db2.gz HUICHPZYGIHIOQ-VYMRPNJYSA-N 2 1 319.493 2.099 20 30 DEEDMP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284001294 1145744505 /nfs/dbraw/zinc/74/45/05/1145744505.db2.gz PVGVKKZSQGVFCM-IRXDYDNUSA-N 2 1 319.493 2.243 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001316638435 1146077938 /nfs/dbraw/zinc/07/79/38/1146077938.db2.gz VZIDSBKCXOKOIO-XLAORIBOSA-N 2 1 319.493 2.454 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001366460802 1147294818 /nfs/dbraw/zinc/29/48/18/1147294818.db2.gz MSKRZOHCQLVIRX-KGLIPLIRSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001366655235 1147445431 /nfs/dbraw/zinc/44/54/31/1147445431.db2.gz VPVHRDZINDEWJC-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001366655235 1147445440 /nfs/dbraw/zinc/44/54/40/1147445440.db2.gz VPVHRDZINDEWJC-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366655235 1147445455 /nfs/dbraw/zinc/44/54/55/1147445455.db2.gz VPVHRDZINDEWJC-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001366655235 1147445466 /nfs/dbraw/zinc/44/54/66/1147445466.db2.gz VPVHRDZINDEWJC-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001308421890 1147471627 /nfs/dbraw/zinc/47/16/27/1147471627.db2.gz DFIXGWGJDYMPTK-DLBZAZTESA-N 2 1 308.466 2.433 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC001308421890 1147471649 /nfs/dbraw/zinc/47/16/49/1147471649.db2.gz DFIXGWGJDYMPTK-DLBZAZTESA-N 2 1 308.466 2.433 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001316799310 1147601044 /nfs/dbraw/zinc/60/10/44/1147601044.db2.gz CDNHXBQONAVPSE-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC001316799310 1147601046 /nfs/dbraw/zinc/60/10/46/1147601046.db2.gz CDNHXBQONAVPSE-NJAFHUGGSA-N 2 1 315.461 2.444 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316807440 1147603831 /nfs/dbraw/zinc/60/38/31/1147603831.db2.gz XISJDYFOLNECLG-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317426150 1147705816 /nfs/dbraw/zinc/70/58/16/1147705816.db2.gz FHEWFEXXAOTUEX-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317501853 1147716584 /nfs/dbraw/zinc/71/65/84/1147716584.db2.gz MHCVNLCDBNWMFZ-DOTOQJQBSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001317557784 1147725108 /nfs/dbraw/zinc/72/51/08/1147725108.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001317557784 1147725110 /nfs/dbraw/zinc/72/51/10/1147725110.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001317557784 1147725112 /nfs/dbraw/zinc/72/51/12/1147725112.db2.gz AACSVGNRRBKSPD-QGZVFWFLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001318216327 1147798102 /nfs/dbraw/zinc/79/81/02/1147798102.db2.gz MJTRWQPTVKXUJS-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001324752218 1147839781 /nfs/dbraw/zinc/83/97/81/1147839781.db2.gz PWVMZHIKXRZFMA-FUHWJXTLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001324943365 1147860417 /nfs/dbraw/zinc/86/04/17/1147860417.db2.gz GWVDSKOZPULWNP-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001324943365 1147860420 /nfs/dbraw/zinc/86/04/20/1147860420.db2.gz GWVDSKOZPULWNP-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001326290191 1148070702 /nfs/dbraw/zinc/07/07/02/1148070702.db2.gz UNUNQUMSESFHEJ-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001326555283 1148142713 /nfs/dbraw/zinc/14/27/13/1148142713.db2.gz PDFGUIPOPSAOLC-ULQDDVLXSA-N 2 1 307.482 2.169 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001368205525 1148324559 /nfs/dbraw/zinc/32/45/59/1148324559.db2.gz BRRCGZCCWPDBGF-UHFFFAOYSA-N 2 1 315.889 2.299 20 30 DEEDMP CC[C@]1(C)CCN(C(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)=[NH+]C)C1 ZINC000261660414 529395871 /nfs/dbraw/zinc/39/58/71/529395871.db2.gz AXTBDMYTVSEZLV-SJLPKXTDSA-N 2 1 324.513 2.041 20 30 DEEDMP C=CCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061970 366031691 /nfs/dbraw/zinc/03/16/91/366031691.db2.gz BENJLJSOIRUVJZ-HNNXBMFYSA-N 2 1 303.450 2.261 20 30 DEEDMP CCNC(NC[C@H](c1ccccc1OC)[NH+]1CCCC1)=[NH+]CC ZINC000066242304 354705417 /nfs/dbraw/zinc/70/54/17/354705417.db2.gz PMZJTDFCDOFOGP-MRXNPFEDSA-N 2 1 318.465 2.407 20 30 DEEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000595896439 358574785 /nfs/dbraw/zinc/57/47/85/358574785.db2.gz OOGGOAAWJVAZBB-OTWHNJEPSA-N 2 1 313.445 2.319 20 30 DEEDMP C[N@@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)Cc1ccccc1 ZINC000598715438 359303131 /nfs/dbraw/zinc/30/31/31/359303131.db2.gz QKRRDSVCZCLUNZ-QGZVFWFLSA-N 2 1 303.450 2.399 20 30 DEEDMP N#CCCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000611287750 361572613 /nfs/dbraw/zinc/57/26/13/361572613.db2.gz AGBQULBOJDCMLU-CALCHBBNSA-N 2 1 321.428 2.115 20 30 DEEDMP N#CCCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000611287750 361572616 /nfs/dbraw/zinc/57/26/16/361572616.db2.gz AGBQULBOJDCMLU-CALCHBBNSA-N 2 1 321.428 2.115 20 30 DEEDMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118868168 401913103 /nfs/dbraw/zinc/91/31/03/401913103.db2.gz ANHVUKSLLPBVPP-UHFFFAOYSA-N 2 1 314.433 2.160 20 30 DEEDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000282242053 403135620 /nfs/dbraw/zinc/13/56/20/403135620.db2.gz JCVGRLSBYZOBSV-CQSZACIVSA-N 2 1 318.440 2.374 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125680 403767271 /nfs/dbraw/zinc/76/72/71/403767271.db2.gz ZEGGHTQXQXYZOL-OAHLLOKOSA-N 2 1 315.417 2.249 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000295125680 403767277 /nfs/dbraw/zinc/76/72/77/403767277.db2.gz ZEGGHTQXQXYZOL-OAHLLOKOSA-N 2 1 315.417 2.249 20 30 DEEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304492098 403793779 /nfs/dbraw/zinc/79/37/79/403793779.db2.gz MENLRYGXEGKXAA-ZFWWWQNUSA-N 2 1 304.438 2.145 20 30 DEEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C#N)c1 ZINC000344160046 403948125 /nfs/dbraw/zinc/94/81/25/403948125.db2.gz WXKGUHIXPLMTAE-UHFFFAOYSA-N 2 1 314.477 2.408 20 30 DEEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000371331848 404457671 /nfs/dbraw/zinc/45/76/71/404457671.db2.gz LCCVXPOQGJRQAY-KRWDZBQOSA-N 2 1 306.498 2.417 20 30 DEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000438983535 405261637 /nfs/dbraw/zinc/26/16/37/405261637.db2.gz HYPSRHMUSKENRV-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644638573 407157453 /nfs/dbraw/zinc/15/74/53/407157453.db2.gz RVTHFWSQAOKLPG-QYZOEREBSA-N 2 1 318.461 2.050 20 30 DEEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644638573 407157454 /nfs/dbraw/zinc/15/74/54/407157454.db2.gz RVTHFWSQAOKLPG-QYZOEREBSA-N 2 1 318.461 2.050 20 30 DEEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)N1 ZINC000262628010 225279697 /nfs/dbraw/zinc/27/96/97/225279697.db2.gz DXHWMFQSWIZYGT-HUUCEWRRSA-N 2 1 300.450 2.356 20 30 DEEDMP C=CC[C@]1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000662692053 425714369 /nfs/dbraw/zinc/71/43/69/425714369.db2.gz VJAAEELRHFDULU-GOSISDBHSA-N 2 1 307.482 2.264 20 30 DEEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000348300493 279121151 /nfs/dbraw/zinc/12/11/51/279121151.db2.gz BDQGMVZSVLGLJM-HOTGVXAUSA-N 2 1 320.481 2.039 20 30 DEEDMP C#CC[N@@H+](C[C@@H](CC)OC)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001349700843 1151273472 /nfs/dbraw/zinc/27/34/72/1151273472.db2.gz SUGJYLSQLXIHOO-QZTJIDSGSA-N 2 1 310.482 2.236 20 30 DEEDMP C#CC[N@H+](C[C@@H](CC)OC)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001349700843 1151273476 /nfs/dbraw/zinc/27/34/76/1151273476.db2.gz SUGJYLSQLXIHOO-QZTJIDSGSA-N 2 1 310.482 2.236 20 30 DEEDMP C[C@@H](N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000834997228 649865169 /nfs/dbraw/zinc/86/51/69/649865169.db2.gz ADOZXQHUJUOBEJ-GFCCVEGCSA-N 2 1 314.355 2.313 20 30 DEEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001329935708 1149018312 /nfs/dbraw/zinc/01/83/12/1149018312.db2.gz GKZAGPPYTYTMER-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329935708 1149018318 /nfs/dbraw/zinc/01/83/18/1149018318.db2.gz GKZAGPPYTYTMER-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001329935708 1149018322 /nfs/dbraw/zinc/01/83/22/1149018322.db2.gz GKZAGPPYTYTMER-DLBZAZTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060408 782141109 /nfs/dbraw/zinc/14/11/09/782141109.db2.gz KLJIIWJGFOHSTQ-PBHICJAKSA-N 2 1 301.434 2.127 20 30 DEEDMP C[C@@H]1C[C@H](CCNC2=[NH+]CCN2C)C[N@H+]1Cc1ccccc1 ZINC000262681838 533831181 /nfs/dbraw/zinc/83/11/81/533831181.db2.gz WMVYVYVLCXJWOX-WBVHZDCISA-N 2 1 300.450 2.178 20 30 DEEDMP COc1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2C)cc1OC ZINC000264117566 533989676 /nfs/dbraw/zinc/98/96/76/533989676.db2.gz TTXMTZAZVUOLLA-UHFFFAOYSA-N 2 1 317.393 2.026 20 30 DEEDMP CN/C(=[NH+]/C)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262011414 526343852 /nfs/dbraw/zinc/34/38/52/526343852.db2.gz WQSOWQUWOJFRSV-DLBZAZTESA-N 2 1 300.450 2.178 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442779265 526374240 /nfs/dbraw/zinc/37/42/40/526374240.db2.gz LSPYKOUDVQQHJO-SOUVJXGZSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442779265 526374243 /nfs/dbraw/zinc/37/42/43/526374243.db2.gz LSPYKOUDVQQHJO-SOUVJXGZSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001327494048 1148569556 /nfs/dbraw/zinc/56/95/56/1148569556.db2.gz VXKSHXNOSGEHPT-KRWDZBQOSA-N 2 1 305.466 2.019 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909085 526826620 /nfs/dbraw/zinc/82/66/20/526826620.db2.gz GCXCXLDPNBNCTA-KRWDZBQOSA-N 3 1 317.477 2.233 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000294909085 526826625 /nfs/dbraw/zinc/82/66/25/526826625.db2.gz GCXCXLDPNBNCTA-KRWDZBQOSA-N 3 1 317.477 2.233 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001368729783 1148622637 /nfs/dbraw/zinc/62/26/37/1148622637.db2.gz YHKXTNXSEVXZKT-KBPBESRZSA-N 2 1 301.862 2.098 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293754 625328019 /nfs/dbraw/zinc/32/80/19/625328019.db2.gz FVOPLHJBCZENEH-DLBZAZTESA-N 2 1 305.466 2.114 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027652147 634385778 /nfs/dbraw/zinc/38/57/78/634385778.db2.gz OMZRDTXXGUWKCJ-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027652147 634385780 /nfs/dbraw/zinc/38/57/80/634385780.db2.gz OMZRDTXXGUWKCJ-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027652147 634385782 /nfs/dbraw/zinc/38/57/82/634385782.db2.gz OMZRDTXXGUWKCJ-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027652147 634385786 /nfs/dbraw/zinc/38/57/86/634385786.db2.gz OMZRDTXXGUWKCJ-LSDHHAIUSA-N 2 1 313.873 2.004 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021698880 623980496 /nfs/dbraw/zinc/98/04/96/623980496.db2.gz FEJQXGZLYZKJKF-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021736119 624018975 /nfs/dbraw/zinc/01/89/75/624018975.db2.gz KSDXQXVUIWUHKT-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021739092 624022355 /nfs/dbraw/zinc/02/23/55/624022355.db2.gz GKNQYXFVLAJKDJ-QZTJIDSGSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437844 624056054 /nfs/dbraw/zinc/05/60/54/624056054.db2.gz TYWBVRUITCYPJB-IAGOWNOFSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971828864 624619469 /nfs/dbraw/zinc/61/94/69/624619469.db2.gz OKCKBAPRFMUPLN-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828864 624619470 /nfs/dbraw/zinc/61/94/70/624619470.db2.gz OKCKBAPRFMUPLN-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828864 624619471 /nfs/dbraw/zinc/61/94/71/624619471.db2.gz OKCKBAPRFMUPLN-INIZCTEOSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998769002 634400236 /nfs/dbraw/zinc/40/02/36/634400236.db2.gz HQGQGYSUUIUVAF-KLHKWILBSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000972486229 625120823 /nfs/dbraw/zinc/12/08/23/625120823.db2.gz QWWWEHSBLUWLTG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486229 625120824 /nfs/dbraw/zinc/12/08/24/625120824.db2.gz QWWWEHSBLUWLTG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000972486229 625120827 /nfs/dbraw/zinc/12/08/27/625120827.db2.gz QWWWEHSBLUWLTG-DLBZAZTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410112 625257214 /nfs/dbraw/zinc/25/72/14/625257214.db2.gz ODYSWWLYLRWYEY-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410112 625257216 /nfs/dbraw/zinc/25/72/16/625257216.db2.gz ODYSWWLYLRWYEY-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410112 625257219 /nfs/dbraw/zinc/25/72/19/625257219.db2.gz ODYSWWLYLRWYEY-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001027695454 634450320 /nfs/dbraw/zinc/45/03/20/634450320.db2.gz VRNTZVHKHLIQRK-MSOLQXFVSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024469517 625799912 /nfs/dbraw/zinc/79/99/12/625799912.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024469517 625799916 /nfs/dbraw/zinc/79/99/16/625799916.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024469517 625799920 /nfs/dbraw/zinc/79/99/20/625799920.db2.gz SBARDBMMEHPACM-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000156625 634767982 /nfs/dbraw/zinc/76/79/82/634767982.db2.gz GPECCLJGIMBSHE-DLBZAZTESA-N 2 1 319.493 2.264 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974677486 633229562 /nfs/dbraw/zinc/22/95/62/633229562.db2.gz DXJQONYGXDYMDY-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677486 633229569 /nfs/dbraw/zinc/22/95/69/633229569.db2.gz DXJQONYGXDYMDY-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974677486 633229574 /nfs/dbraw/zinc/22/95/74/633229574.db2.gz DXJQONYGXDYMDY-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP CC#CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974686912 633236319 /nfs/dbraw/zinc/23/63/19/633236319.db2.gz ZBTPJQAAMAQXMC-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029385 633400137 /nfs/dbraw/zinc/40/01/37/633400137.db2.gz ANUQVUNUESOHCS-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000975029385 633400139 /nfs/dbraw/zinc/40/01/39/633400139.db2.gz ANUQVUNUESOHCS-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001009633077 633766232 /nfs/dbraw/zinc/76/62/32/633766232.db2.gz GGJUAMLBMDBBPG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009633077 633766236 /nfs/dbraw/zinc/76/62/36/633766236.db2.gz GGJUAMLBMDBBPG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001009633077 633766237 /nfs/dbraw/zinc/76/62/37/633766237.db2.gz GGJUAMLBMDBBPG-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473153 633855555 /nfs/dbraw/zinc/85/55/55/633855555.db2.gz GECMPMQGYOQGRR-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473153 633855559 /nfs/dbraw/zinc/85/55/59/633855559.db2.gz GECMPMQGYOQGRR-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473153 633855570 /nfs/dbraw/zinc/85/55/70/633855570.db2.gz GECMPMQGYOQGRR-IAGOWNOFSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588040 633887480 /nfs/dbraw/zinc/88/74/80/633887480.db2.gz URCXDKVPMMRKHL-RDJZCZTQSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951659 634073255 /nfs/dbraw/zinc/07/32/55/634073255.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951659 634073260 /nfs/dbraw/zinc/07/32/60/634073260.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951659 634073266 /nfs/dbraw/zinc/07/32/66/634073266.db2.gz YNNNYQYAYOQNQS-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998110695 634143005 /nfs/dbraw/zinc/14/30/05/634143005.db2.gz OCXZWCPPTKVIRW-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175359 634161108 /nfs/dbraw/zinc/16/11/08/634161108.db2.gz BYQSGQGKIJPTIT-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491723 635023100 /nfs/dbraw/zinc/02/31/00/635023100.db2.gz WHPBPMILCRIIEK-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000980491723 635023106 /nfs/dbraw/zinc/02/31/06/635023106.db2.gz WHPBPMILCRIIEK-MSOLQXFVSA-N 2 1 315.461 2.398 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001000756430 635297824 /nfs/dbraw/zinc/29/78/24/635297824.db2.gz GWOWLGGLRZVCFN-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000756430 635297829 /nfs/dbraw/zinc/29/78/29/635297829.db2.gz GWOWLGGLRZVCFN-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000756430 635297834 /nfs/dbraw/zinc/29/78/34/635297834.db2.gz GWOWLGGLRZVCFN-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=C(C)C[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981330337 635437247 /nfs/dbraw/zinc/43/72/47/635437247.db2.gz DPXQBFPXXGSZHO-KRWDZBQOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245097 635439416 /nfs/dbraw/zinc/43/94/16/635439416.db2.gz MCHIRNUNQMXOCB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001245097 635439418 /nfs/dbraw/zinc/43/94/18/635439418.db2.gz MCHIRNUNQMXOCB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001245097 635439422 /nfs/dbraw/zinc/43/94/22/635439422.db2.gz MCHIRNUNQMXOCB-MSOLQXFVSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105698 635550311 /nfs/dbraw/zinc/55/03/11/635550311.db2.gz YTGNDVOHVNJTRQ-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105698 635550314 /nfs/dbraw/zinc/55/03/14/635550314.db2.gz YTGNDVOHVNJTRQ-OAHLLOKOSA-N 2 1 305.422 2.112 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138474 635686831 /nfs/dbraw/zinc/68/68/31/635686831.db2.gz XERXKGGYDCASOL-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028181320 635781999 /nfs/dbraw/zinc/78/19/99/635781999.db2.gz RDCJWTKIEFQEBZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181320 635782003 /nfs/dbraw/zinc/78/20/03/635782003.db2.gz RDCJWTKIEFQEBZ-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774535 636122510 /nfs/dbraw/zinc/12/25/10/636122510.db2.gz BAUBDLWHLMZFES-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388921 636141961 /nfs/dbraw/zinc/14/19/61/636141961.db2.gz RWRTYMSWUJRIJD-NCOADZHNSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C1CCC(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000922710824 636340985 /nfs/dbraw/zinc/34/09/85/636340985.db2.gz CCETWVZMDLQZQA-UHFFFAOYSA-N 2 1 315.465 2.064 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475140 /nfs/dbraw/zinc/47/51/40/636475140.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475142 /nfs/dbraw/zinc/47/51/42/636475142.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623536 636475145 /nfs/dbraw/zinc/47/51/45/636475145.db2.gz LUFHTOMXXTZODN-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642312 636516019 /nfs/dbraw/zinc/51/60/19/636516019.db2.gz DNQKWQFNXRZENB-FGTMMUONSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805300 636749696 /nfs/dbraw/zinc/74/96/96/636749696.db2.gz MPDQEQHSNRASIK-KRWDZBQOSA-N 2 1 315.461 2.028 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870784 636801947 /nfs/dbraw/zinc/80/19/47/636801947.db2.gz VXFBAYVGJOHHFE-QGZVFWFLSA-N 2 1 315.461 2.376 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902282 636831630 /nfs/dbraw/zinc/83/16/30/636831630.db2.gz SLGRWUYUIWWQHY-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309010 637108994 /nfs/dbraw/zinc/10/89/94/637108994.db2.gz HYSWGFODKLJJSL-QGZVFWFLSA-N 2 1 302.418 2.062 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514178 637223891 /nfs/dbraw/zinc/22/38/91/637223891.db2.gz UKCYOFCMLNEVCN-RBSFLKMASA-N 2 1 321.490 2.178 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514178 637223894 /nfs/dbraw/zinc/22/38/94/637223894.db2.gz UKCYOFCMLNEVCN-RBSFLKMASA-N 2 1 321.490 2.178 20 30 DEEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985695476 639588182 /nfs/dbraw/zinc/58/81/82/639588182.db2.gz WBAABVYRKLATBD-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985695476 639588185 /nfs/dbraw/zinc/58/81/85/639588185.db2.gz WBAABVYRKLATBD-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985695476 639588188 /nfs/dbraw/zinc/58/81/88/639588188.db2.gz WBAABVYRKLATBD-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000989504986 641131676 /nfs/dbraw/zinc/13/16/76/641131676.db2.gz XNNOUIJRMXQLCA-UONOGXRCSA-N 2 1 324.856 2.338 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433503 641207443 /nfs/dbraw/zinc/20/74/43/641207443.db2.gz KQTYDZXCYXEXEG-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433503 641207447 /nfs/dbraw/zinc/20/74/47/641207447.db2.gz KQTYDZXCYXEXEG-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433503 641207452 /nfs/dbraw/zinc/20/74/52/641207452.db2.gz KQTYDZXCYXEXEG-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150224 650660863 /nfs/dbraw/zinc/66/08/63/650660863.db2.gz OTGRAFODRDZPGZ-QZTJIDSGSA-N 2 1 301.434 2.398 20 30 DEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150224 650660864 /nfs/dbraw/zinc/66/08/64/650660864.db2.gz OTGRAFODRDZPGZ-QZTJIDSGSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150224 650660865 /nfs/dbraw/zinc/66/08/65/650660865.db2.gz OTGRAFODRDZPGZ-QZTJIDSGSA-N 2 1 301.434 2.398 20 30 DEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150224 650660866 /nfs/dbraw/zinc/66/08/66/650660866.db2.gz OTGRAFODRDZPGZ-QZTJIDSGSA-N 2 1 301.434 2.398 20 30 DEEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCCC#N)CC1)CC(C)C ZINC000773733251 641817315 /nfs/dbraw/zinc/81/73/15/641817315.db2.gz WOPWEORUKAWSKW-UHFFFAOYSA-N 2 1 322.497 2.096 20 30 DEEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792886 642095028 /nfs/dbraw/zinc/09/50/28/642095028.db2.gz WHIGLMIQJDRRAO-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792886 642095032 /nfs/dbraw/zinc/09/50/32/642095032.db2.gz WHIGLMIQJDRRAO-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792886 642095033 /nfs/dbraw/zinc/09/50/33/642095033.db2.gz WHIGLMIQJDRRAO-XLMAVXFVSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000901026642 642547628 /nfs/dbraw/zinc/54/76/28/642547628.db2.gz VFFCYQYNNXIQFZ-FUHWJXTLSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000901026644 642547853 /nfs/dbraw/zinc/54/78/53/642547853.db2.gz VFFCYQYNNXIQFZ-WMZOPIPTSA-N 2 1 315.461 2.274 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907282708 644498205 /nfs/dbraw/zinc/49/82/05/644498205.db2.gz PPOBMTBPFQPYSF-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C(CNN=C1CCCC[C@@H]1[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000799487346 645179325 /nfs/dbraw/zinc/17/93/25/645179325.db2.gz KYJDNUGHGITLQS-SFHVURJKSA-N 2 1 322.497 2.083 20 30 DEEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC000991621222 646548341 /nfs/dbraw/zinc/54/83/41/646548341.db2.gz HJCFKMLALZHUHP-IEBWSBKVSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992359565 646958185 /nfs/dbraw/zinc/95/81/85/646958185.db2.gz GEEZTWFCZZURDA-AEFFLSMTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992359565 646958187 /nfs/dbraw/zinc/95/81/87/646958187.db2.gz GEEZTWFCZZURDA-AEFFLSMTSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992432241 646998384 /nfs/dbraw/zinc/99/83/84/646998384.db2.gz PYICTJJDCUFTCC-SJLPKXTDSA-N 2 1 316.449 2.042 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992475490 647050413 /nfs/dbraw/zinc/05/04/13/647050413.db2.gz JTFIJPBYUQNDMO-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992475490 647050414 /nfs/dbraw/zinc/05/04/14/647050414.db2.gz JTFIJPBYUQNDMO-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992475490 647050417 /nfs/dbraw/zinc/05/04/17/647050417.db2.gz JTFIJPBYUQNDMO-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992489392 647064031 /nfs/dbraw/zinc/06/40/31/647064031.db2.gz ONXHUMOJUPOBHP-FUHWJXTLSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCCC3)CCC[C@H]12 ZINC000992489392 647064034 /nfs/dbraw/zinc/06/40/34/647064034.db2.gz ONXHUMOJUPOBHP-FUHWJXTLSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992715128 647194419 /nfs/dbraw/zinc/19/44/19/647194419.db2.gz RRRMNOJMTPJUQF-BPQIPLTHSA-N 2 1 319.493 2.264 20 30 DEEDMP Nc1ccc2c(c1)C(=[NH+]NCCC[NH+]1CCOCC1)CCCC2 ZINC000817328155 647266374 /nfs/dbraw/zinc/26/63/74/647266374.db2.gz YPYLHGPMCPSTMG-UHFFFAOYSA-N 2 1 316.449 2.011 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316601 647595965 /nfs/dbraw/zinc/59/59/65/647595965.db2.gz RDSUKAIBMSWUMU-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316601 647595966 /nfs/dbraw/zinc/59/59/66/647595966.db2.gz RDSUKAIBMSWUMU-SJORKVTESA-N 2 1 319.493 2.243 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948552665 649518120 /nfs/dbraw/zinc/51/81/20/649518120.db2.gz AFNZMZMXBIUCHX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948552665 649518122 /nfs/dbraw/zinc/51/81/22/649518122.db2.gz AFNZMZMXBIUCHX-IAGOWNOFSA-N 2 1 307.482 2.360 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988988 651573114 /nfs/dbraw/zinc/57/31/14/651573114.db2.gz RHNNMXJRZWWCAB-AWEZNQCLSA-N 2 1 319.840 2.310 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000304813456 685261832 /nfs/dbraw/zinc/26/18/32/685261832.db2.gz YZGUCZHSEAIORY-JKSUJKDBSA-N 2 1 318.465 2.151 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799091 685450761 /nfs/dbraw/zinc/45/07/61/685450761.db2.gz QNOLFMWMOJHSBK-HNNXBMFYSA-N 2 1 302.418 2.281 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000392799091 685450766 /nfs/dbraw/zinc/45/07/66/685450766.db2.gz QNOLFMWMOJHSBK-HNNXBMFYSA-N 2 1 302.418 2.281 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(Cl)c1 ZINC000303784027 685234472 /nfs/dbraw/zinc/23/44/72/685234472.db2.gz OWVAVGVULMLMNE-LBPRGKRZSA-N 2 1 312.820 2.368 20 30 DEEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NC(C)C)[NH+]1CCCC1 ZINC000303788444 685235704 /nfs/dbraw/zinc/23/57/04/685235704.db2.gz UHVDYVXOXLXBHL-OAHLLOKOSA-N 2 1 304.438 2.145 20 30 DEEDMP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000303886657 685237654 /nfs/dbraw/zinc/23/76/54/685237654.db2.gz KLRMILWJWJJCIF-ZDUSSCGKSA-N 2 1 320.437 2.162 20 30 DEEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000303900895 685238868 /nfs/dbraw/zinc/23/88/68/685238868.db2.gz SLEZZFZLVQJRPL-CYBMUJFWSA-N 2 1 320.437 2.162 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000303971315 685241297 /nfs/dbraw/zinc/24/12/97/685241297.db2.gz DISWJADKGSMKFU-MRXNPFEDSA-N 2 1 318.465 2.153 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618216 687665613 /nfs/dbraw/zinc/66/56/13/687665613.db2.gz QUBVPJIYPULHBN-HOTGVXAUSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016662536 687677073 /nfs/dbraw/zinc/67/70/73/687677073.db2.gz KLONDYLSLBMASZ-SJORKVTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016824768 687710556 /nfs/dbraw/zinc/71/05/56/687710556.db2.gz DXEDTZNMODBUND-SJORKVTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017620708 687927061 /nfs/dbraw/zinc/92/70/61/687927061.db2.gz ROWTXSUFDDNZBC-XHSDSOJGSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001017620708 687927065 /nfs/dbraw/zinc/92/70/65/687927065.db2.gz ROWTXSUFDDNZBC-XHSDSOJGSA-N 2 1 314.433 2.012 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017694723 687940244 /nfs/dbraw/zinc/94/02/44/687940244.db2.gz ABWVNLFKVCNHDI-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017694723 687940248 /nfs/dbraw/zinc/94/02/48/687940248.db2.gz ABWVNLFKVCNHDI-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017694723 687940250 /nfs/dbraw/zinc/94/02/50/687940250.db2.gz ABWVNLFKVCNHDI-FGTMMUONSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017951166 688009003 /nfs/dbraw/zinc/00/90/03/688009003.db2.gz ZORCOYVNKGIZIR-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001017951166 688009008 /nfs/dbraw/zinc/00/90/08/688009008.db2.gz ZORCOYVNKGIZIR-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001017951166 688009015 /nfs/dbraw/zinc/00/90/15/688009015.db2.gz ZORCOYVNKGIZIR-CALCHBBNSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730835 688987735 /nfs/dbraw/zinc/98/77/35/688987735.db2.gz ZMACJQIDQMSGIM-QGZVFWFLSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027039 689044833 /nfs/dbraw/zinc/04/48/33/689044833.db2.gz MHDLAENZBLSHBV-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119253 689066806 /nfs/dbraw/zinc/06/68/06/689066806.db2.gz JVJHKLGMHHDUPG-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628876 689206685 /nfs/dbraw/zinc/20/66/85/689206685.db2.gz MUHIYQRGYQSFDV-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628876 689206689 /nfs/dbraw/zinc/20/66/89/689206689.db2.gz MUHIYQRGYQSFDV-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628876 689206692 /nfs/dbraw/zinc/20/66/92/689206692.db2.gz MUHIYQRGYQSFDV-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628876 689206696 /nfs/dbraw/zinc/20/66/96/689206696.db2.gz MUHIYQRGYQSFDV-MPGHIAIKSA-N 2 1 323.456 2.060 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664775 689217779 /nfs/dbraw/zinc/21/77/79/689217779.db2.gz RIQNLLYDXZAIQO-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032664775 689217781 /nfs/dbraw/zinc/21/77/81/689217781.db2.gz RIQNLLYDXZAIQO-ULQDDVLXSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033083317 689381735 /nfs/dbraw/zinc/38/17/35/689381735.db2.gz ZQPXHOGIFRIHOR-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033083317 689381736 /nfs/dbraw/zinc/38/17/36/689381736.db2.gz ZQPXHOGIFRIHOR-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033083317 689381739 /nfs/dbraw/zinc/38/17/39/689381739.db2.gz ZQPXHOGIFRIHOR-AEFFLSMTSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033470631 689513902 /nfs/dbraw/zinc/51/39/02/689513902.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470631 689513904 /nfs/dbraw/zinc/51/39/04/689513904.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033470631 689513906 /nfs/dbraw/zinc/51/39/06/689513906.db2.gz BRKLBMWWDWXZBZ-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001033684681 689583199 /nfs/dbraw/zinc/58/31/99/689583199.db2.gz HGAJTNDFMHOIDA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033684681 689583201 /nfs/dbraw/zinc/58/32/01/689583201.db2.gz HGAJTNDFMHOIDA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033684681 689583205 /nfs/dbraw/zinc/58/32/05/689583205.db2.gz HGAJTNDFMHOIDA-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033898314 689655091 /nfs/dbraw/zinc/65/50/91/689655091.db2.gz PXTNPJPIQCKSJM-KRWDZBQOSA-N 2 1 312.417 2.447 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212326 689764530 /nfs/dbraw/zinc/76/45/30/689764530.db2.gz XJOMYQYKQKZMRL-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034285334 689794932 /nfs/dbraw/zinc/79/49/32/689794932.db2.gz BTAJXABKCKQPJD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285334 689794935 /nfs/dbraw/zinc/79/49/35/689794935.db2.gz BTAJXABKCKQPJD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034285334 689794939 /nfs/dbraw/zinc/79/49/39/689794939.db2.gz BTAJXABKCKQPJD-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034309997 689805567 /nfs/dbraw/zinc/80/55/67/689805567.db2.gz RHRFIWYZJBTZJC-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034309997 689805570 /nfs/dbraw/zinc/80/55/70/689805570.db2.gz RHRFIWYZJBTZJC-MRXNPFEDSA-N 2 1 304.438 2.128 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486773 689869693 /nfs/dbraw/zinc/86/96/93/689869693.db2.gz LVCPHFBOFCWNBN-INIZCTEOSA-N 2 1 305.466 2.019 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000876724089 689915997 /nfs/dbraw/zinc/91/59/97/689915997.db2.gz NKRLUFJWSAFPDE-OAHLLOKOSA-N 2 1 315.889 2.427 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876763169 689929726 /nfs/dbraw/zinc/92/97/26/689929726.db2.gz IOMISWWRTXLYKX-DZGCQCFKSA-N 2 1 309.841 2.093 20 30 DEEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754280 689941041 /nfs/dbraw/zinc/94/10/41/689941041.db2.gz YKZFFYRJLLRFEP-QBPKDAKJSA-N 2 1 305.466 2.206 20 30 DEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877008999 689996324 /nfs/dbraw/zinc/99/63/24/689996324.db2.gz DMPGJCJBBCAXJQ-UHFFFAOYSA-N 2 1 319.409 2.125 20 30 DEEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035205055 690059578 /nfs/dbraw/zinc/05/95/78/690059578.db2.gz IBELHXCIQSQWIN-UHFFFAOYSA-N 2 1 324.428 2.448 20 30 DEEDMP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000879594265 690683011 /nfs/dbraw/zinc/68/30/11/690683011.db2.gz COELUXNEOBVFEE-UHFFFAOYSA-N 2 1 312.461 2.079 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179714 691040783 /nfs/dbraw/zinc/04/07/83/691040783.db2.gz DHSGQBACNLNOFT-MSOLQXFVSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250942 691221129 /nfs/dbraw/zinc/22/11/29/691221129.db2.gz UVFACTQTXHDQPI-HKUYNNGSSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241213 /nfs/dbraw/zinc/24/12/13/691241213.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241217 /nfs/dbraw/zinc/24/12/17/691241217.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040391648 691241220 /nfs/dbraw/zinc/24/12/20/691241220.db2.gz QUSUAHYPOQCRNB-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040430815 691246239 /nfs/dbraw/zinc/24/62/39/691246239.db2.gz CRGULKGAGYWRFI-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040542925 691263180 /nfs/dbraw/zinc/26/31/80/691263180.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542925 691263182 /nfs/dbraw/zinc/26/31/82/691263182.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040542925 691263185 /nfs/dbraw/zinc/26/31/85/691263185.db2.gz GRAFEUBGJMFHBH-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041340762 691363142 /nfs/dbraw/zinc/36/31/42/691363142.db2.gz YMVCEUBOSAEFKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340762 691363147 /nfs/dbraw/zinc/36/31/47/691363147.db2.gz YMVCEUBOSAEFKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041340762 691363151 /nfs/dbraw/zinc/36/31/51/691363151.db2.gz YMVCEUBOSAEFKC-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357415 691366534 /nfs/dbraw/zinc/36/65/34/691366534.db2.gz HFDWKKIHFVWQBV-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725276 691417984 /nfs/dbraw/zinc/41/79/84/691417984.db2.gz MUUYKZVFMLQFTA-HKUYNNGSSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041844629 691444604 /nfs/dbraw/zinc/44/46/04/691444604.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844629 691444606 /nfs/dbraw/zinc/44/46/06/691444606.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041844629 691444607 /nfs/dbraw/zinc/44/46/07/691444607.db2.gz BIQHNEFQGFVNGE-MJGOQNOKSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234952 691542881 /nfs/dbraw/zinc/54/28/81/691542881.db2.gz PVBZUDKORXIUEC-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234952 691542885 /nfs/dbraw/zinc/54/28/85/691542885.db2.gz PVBZUDKORXIUEC-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042234952 691542889 /nfs/dbraw/zinc/54/28/89/691542889.db2.gz PVBZUDKORXIUEC-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045444556 691981796 /nfs/dbraw/zinc/98/17/96/691981796.db2.gz PBXKJNLZQZYUMY-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886305616 692050387 /nfs/dbraw/zinc/05/03/87/692050387.db2.gz MIWGBBSJFSWSRN-INIZCTEOSA-N 2 1 305.466 2.382 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001045942813 692059238 /nfs/dbraw/zinc/05/92/38/692059238.db2.gz AFLUHOYTQRHABV-MJGOQNOKSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000886578519 692115800 /nfs/dbraw/zinc/11/58/00/692115800.db2.gz AHXFQPUUFPUENT-UHFFFAOYSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046375560 692170944 /nfs/dbraw/zinc/17/09/44/692170944.db2.gz BKBSINUJKYDAFL-QAPCUYQASA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046375560 692170948 /nfs/dbraw/zinc/17/09/48/692170948.db2.gz BKBSINUJKYDAFL-QAPCUYQASA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046563012 692225055 /nfs/dbraw/zinc/22/50/55/692225055.db2.gz ZHYYIRRUYZAKKI-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046563012 692225059 /nfs/dbraw/zinc/22/50/59/692225059.db2.gz ZHYYIRRUYZAKKI-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046563012 692225064 /nfs/dbraw/zinc/22/50/64/692225064.db2.gz ZHYYIRRUYZAKKI-AEFFLSMTSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226967 692398047 /nfs/dbraw/zinc/39/80/47/692398047.db2.gz BTMGNZXIJKGVBJ-MSOLQXFVSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047226970 692398100 /nfs/dbraw/zinc/39/81/00/692398100.db2.gz BTMGNZXIJKGVBJ-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562931 692648018 /nfs/dbraw/zinc/64/80/18/692648018.db2.gz RXBHRDMINBKNBA-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562931 692648020 /nfs/dbraw/zinc/64/80/20/692648020.db2.gz RXBHRDMINBKNBA-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562931 692648022 /nfs/dbraw/zinc/64/80/22/692648022.db2.gz RXBHRDMINBKNBA-UYTYNIKBSA-N 2 1 319.493 2.119 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131031 692770739 /nfs/dbraw/zinc/77/07/39/692770739.db2.gz DDRNFJCHCGXRPT-HDICACEKSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049531984 692913801 /nfs/dbraw/zinc/91/38/01/692913801.db2.gz FXRWSOSMHHCCAJ-IKGGRYGDSA-N 2 1 307.482 2.214 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049553358 692919276 /nfs/dbraw/zinc/91/92/76/692919276.db2.gz UFPZATAGAPWOJI-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049553358 692919277 /nfs/dbraw/zinc/91/92/77/692919277.db2.gz UFPZATAGAPWOJI-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049553358 692919284 /nfs/dbraw/zinc/91/92/84/692919284.db2.gz UFPZATAGAPWOJI-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595041 692935930 /nfs/dbraw/zinc/93/59/30/692935930.db2.gz RJANZZREHNCGPR-ROUUACIJSA-N 2 1 322.412 2.037 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001049727262 692977451 /nfs/dbraw/zinc/97/74/51/692977451.db2.gz ISXYBHLZRXFOFG-GVDBMIGSSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047277 693091626 /nfs/dbraw/zinc/09/16/26/693091626.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047277 693091628 /nfs/dbraw/zinc/09/16/28/693091628.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047277 693091630 /nfs/dbraw/zinc/09/16/30/693091630.db2.gz VKAKOQHDVNABGD-OKZBNKHCSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140654 693119138 /nfs/dbraw/zinc/11/91/38/693119138.db2.gz NXUMSFAMQYTCCK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140654 693119139 /nfs/dbraw/zinc/11/91/39/693119139.db2.gz NXUMSFAMQYTCCK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140654 693119140 /nfs/dbraw/zinc/11/91/40/693119140.db2.gz NXUMSFAMQYTCCK-OKZBNKHCSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050765474 693247149 /nfs/dbraw/zinc/24/71/49/693247149.db2.gz RNANWMYCQUEROX-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052394199 693522679 /nfs/dbraw/zinc/52/26/79/693522679.db2.gz BAWUKHKFKJHVPU-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394199 693522686 /nfs/dbraw/zinc/52/26/86/693522686.db2.gz BAWUKHKFKJHVPU-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052394199 693522690 /nfs/dbraw/zinc/52/26/90/693522690.db2.gz BAWUKHKFKJHVPU-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001052497501 693549283 /nfs/dbraw/zinc/54/92/83/693549283.db2.gz CIWLRGCEAJDFOZ-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052497501 693549286 /nfs/dbraw/zinc/54/92/86/693549286.db2.gz CIWLRGCEAJDFOZ-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001052497501 693549291 /nfs/dbraw/zinc/54/92/91/693549291.db2.gz CIWLRGCEAJDFOZ-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651725 693588409 /nfs/dbraw/zinc/58/84/09/693588409.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651725 693588410 /nfs/dbraw/zinc/58/84/10/693588410.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651725 693588413 /nfs/dbraw/zinc/58/84/13/693588413.db2.gz MNTIHXKTJKGDDH-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052652035 693589612 /nfs/dbraw/zinc/58/96/12/693589612.db2.gz RLAGAKLKNZEJBU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652035 693589614 /nfs/dbraw/zinc/58/96/14/693589614.db2.gz RLAGAKLKNZEJBU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052652035 693589617 /nfs/dbraw/zinc/58/96/17/693589617.db2.gz RLAGAKLKNZEJBU-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764441 693614944 /nfs/dbraw/zinc/61/49/44/693614944.db2.gz PIBCIUZOUPKMHI-ZWKOTPCHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001392074100 1156862389 /nfs/dbraw/zinc/86/23/89/1156862389.db2.gz JBOUEZUVHWRZQN-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001376936419 1159850724 /nfs/dbraw/zinc/85/07/24/1159850724.db2.gz OUMDSZKRLNQUDU-LSDHHAIUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001401971228 1162202232 /nfs/dbraw/zinc/20/22/32/1162202232.db2.gz RYOVNODRYZSZKQ-AWEZNQCLSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001405939898 1164348710 /nfs/dbraw/zinc/34/87/10/1164348710.db2.gz DHGOXTQYEQQJHN-CQSZACIVSA-N 2 1 312.845 2.065 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CC ZINC001421638401 1171877475 /nfs/dbraw/zinc/87/74/75/1171877475.db2.gz OPEOUBDEUMNOSI-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001421638401 1171877479 /nfs/dbraw/zinc/87/74/79/1171877479.db2.gz OPEOUBDEUMNOSI-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638401 1171877484 /nfs/dbraw/zinc/87/74/84/1171877484.db2.gz OPEOUBDEUMNOSI-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001421638401 1171877488 /nfs/dbraw/zinc/87/74/88/1171877488.db2.gz OPEOUBDEUMNOSI-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001425384056 1174296075 /nfs/dbraw/zinc/29/60/75/1174296075.db2.gz MSKQCBMJXDLHOT-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001425384056 1174296085 /nfs/dbraw/zinc/29/60/85/1174296085.db2.gz MSKQCBMJXDLHOT-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001425384056 1174296086 /nfs/dbraw/zinc/29/60/86/1174296086.db2.gz MSKQCBMJXDLHOT-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001425384056 1174296093 /nfs/dbraw/zinc/29/60/93/1174296093.db2.gz MSKQCBMJXDLHOT-UHFFFAOYSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001436436717 1179096720 /nfs/dbraw/zinc/09/67/20/1179096720.db2.gz DEJIQMJUIHOKML-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001436436717 1179096732 /nfs/dbraw/zinc/09/67/32/1179096732.db2.gz DEJIQMJUIHOKML-UONOGXRCSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001438308817 1180337596 /nfs/dbraw/zinc/33/75/96/1180337596.db2.gz FMPYAGKJPSKULR-UONOGXRCSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334926 782772101 /nfs/dbraw/zinc/77/21/01/782772101.db2.gz LOGOVOSNKZHMDX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334926 782772106 /nfs/dbraw/zinc/77/21/06/782772106.db2.gz LOGOVOSNKZHMDX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334926 782772113 /nfs/dbraw/zinc/77/21/13/782772113.db2.gz LOGOVOSNKZHMDX-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336814 782786193 /nfs/dbraw/zinc/78/61/93/782786193.db2.gz YIXSYQSPQNQEFN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336814 782786196 /nfs/dbraw/zinc/78/61/96/782786196.db2.gz YIXSYQSPQNQEFN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336814 782786197 /nfs/dbraw/zinc/78/61/97/782786197.db2.gz YIXSYQSPQNQEFN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571026 782790454 /nfs/dbraw/zinc/79/04/54/782790454.db2.gz KHNSZXBRZUDQKV-KZNAEPCWSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001333432499 1150049340 /nfs/dbraw/zinc/04/93/40/1150049340.db2.gz AIEHQFUPZISWGR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001333432499 1150049344 /nfs/dbraw/zinc/04/93/44/1150049344.db2.gz AIEHQFUPZISWGR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001333432499 1150049348 /nfs/dbraw/zinc/04/93/48/1150049348.db2.gz AIEHQFUPZISWGR-KRWDZBQOSA-N 2 1 305.466 2.043 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001089386058 783062914 /nfs/dbraw/zinc/06/29/14/783062914.db2.gz MGQGJJJTCOVEAA-IRXDYDNUSA-N 2 1 319.493 2.121 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419421 783087184 /nfs/dbraw/zinc/08/71/84/783087184.db2.gz GDBWDJTXCLMNJS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419421 783087189 /nfs/dbraw/zinc/08/71/89/783087189.db2.gz GDBWDJTXCLMNJS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC(C)(C)C1 ZINC001089419421 783087193 /nfs/dbraw/zinc/08/71/93/783087193.db2.gz GDBWDJTXCLMNJS-IAGOWNOFSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459373 783126595 /nfs/dbraw/zinc/12/65/95/783126595.db2.gz UWRWPBJMEORMQS-MRXNPFEDSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048799 790416889 /nfs/dbraw/zinc/41/68/89/790416889.db2.gz JOTCBNZFQVBNMN-HNNXBMFYSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048799 790416893 /nfs/dbraw/zinc/41/68/93/790416893.db2.gz JOTCBNZFQVBNMN-HNNXBMFYSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048799 790416897 /nfs/dbraw/zinc/41/68/97/790416897.db2.gz JOTCBNZFQVBNMN-HNNXBMFYSA-N 2 1 316.449 2.089 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167223834 776780653 /nfs/dbraw/zinc/78/06/53/776780653.db2.gz BCGXQLRDXQWTEL-AWEZNQCLSA-N 2 1 313.873 2.099 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290834 776946724 /nfs/dbraw/zinc/94/67/24/776946724.db2.gz GAGQFRUITGAMSG-OAGGEKHMSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385384 776978816 /nfs/dbraw/zinc/97/88/16/776978816.db2.gz AQMWIVIUVNRJDK-INIZCTEOSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000971523665 777131090 /nfs/dbraw/zinc/13/10/90/777131090.db2.gz XJSLXJDOSYPSDL-CABCVRRESA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000971523665 777131094 /nfs/dbraw/zinc/13/10/94/777131094.db2.gz XJSLXJDOSYPSDL-CABCVRRESA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971523665 777131098 /nfs/dbraw/zinc/13/10/98/777131098.db2.gz XJSLXJDOSYPSDL-CABCVRRESA-N 2 1 313.873 2.144 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC000971523665 777131102 /nfs/dbraw/zinc/13/11/02/777131102.db2.gz XJSLXJDOSYPSDL-CABCVRRESA-N 2 1 313.873 2.144 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067213 778322619 /nfs/dbraw/zinc/32/26/19/778322619.db2.gz RZQVEECMTMKCOT-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067212 778323374 /nfs/dbraw/zinc/32/33/74/778323374.db2.gz RZQVEECMTMKCOT-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073452545 790664285 /nfs/dbraw/zinc/66/42/85/790664285.db2.gz JIHRKPBHUKRQKP-UHFFFAOYSA-N 2 1 313.445 2.082 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372575 /nfs/dbraw/zinc/37/25/75/779372575.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372580 /nfs/dbraw/zinc/37/25/80/779372580.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087601520 779372585 /nfs/dbraw/zinc/37/25/85/779372585.db2.gz VZAPGLGLUWNANW-IXDOHACOSA-N 2 1 307.482 2.119 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781378 779450137 /nfs/dbraw/zinc/45/01/37/779450137.db2.gz GOEUACURLSTMFX-ZWKOTPCHSA-N 2 1 319.493 2.099 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796921 779454138 /nfs/dbraw/zinc/45/41/38/779454138.db2.gz QUTYCWQWJDVOJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001087796921 779454143 /nfs/dbraw/zinc/45/41/43/779454143.db2.gz QUTYCWQWJDVOJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001087796921 779454146 /nfs/dbraw/zinc/45/41/46/779454146.db2.gz QUTYCWQWJDVOJV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001088381854 780051875 /nfs/dbraw/zinc/05/18/75/780051875.db2.gz OMJMWXQUVXPYQE-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088429960 780114221 /nfs/dbraw/zinc/11/42/21/780114221.db2.gz DZGSEVHANPTTMP-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822736 781058435 /nfs/dbraw/zinc/05/84/35/781058435.db2.gz GCONEQCSQBBTSQ-HIFRSBDPSA-N 2 1 305.422 2.110 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822736 781058444 /nfs/dbraw/zinc/05/84/44/781058444.db2.gz GCONEQCSQBBTSQ-HIFRSBDPSA-N 2 1 305.422 2.110 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641333 783310099 /nfs/dbraw/zinc/31/00/99/783310099.db2.gz KVDIUJYOXUPOAW-IAGOWNOFSA-N 2 1 319.493 2.121 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966099101 783560735 /nfs/dbraw/zinc/56/07/35/783560735.db2.gz CHCZHANTOVLMDV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001085217644 783587974 /nfs/dbraw/zinc/58/79/74/783587974.db2.gz KQGHJBLGXRHUDG-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085253889 783605718 /nfs/dbraw/zinc/60/57/18/783605718.db2.gz KNZRXLIWRRQVTJ-ZACQAIPSSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639818 783917822 /nfs/dbraw/zinc/91/78/22/783917822.db2.gz WPRCLXSGEYARBF-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085639818 783917827 /nfs/dbraw/zinc/91/78/27/783917827.db2.gz WPRCLXSGEYARBF-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639818 783917832 /nfs/dbraw/zinc/91/78/32/783917832.db2.gz WPRCLXSGEYARBF-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639818 783917839 /nfs/dbraw/zinc/91/78/39/783917839.db2.gz WPRCLXSGEYARBF-SJORKVTESA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553863 784462065 /nfs/dbraw/zinc/46/20/65/784462065.db2.gz QLQBHLUQPGNGMZ-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553863 784462070 /nfs/dbraw/zinc/46/20/70/784462070.db2.gz QLQBHLUQPGNGMZ-ZBFHGGJFSA-N 2 1 316.449 2.164 20 30 DEEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134212 785050664 /nfs/dbraw/zinc/05/06/64/785050664.db2.gz RIZUTIXSEIFYGO-BJWYYQGGSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008746763 785293578 /nfs/dbraw/zinc/29/35/78/785293578.db2.gz JNVDAMGWQBMJGQ-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832791 785559661 /nfs/dbraw/zinc/55/96/61/785559661.db2.gz YGTIZTOAXRHTSO-BBWFWOEESA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108822115 785562635 /nfs/dbraw/zinc/56/26/35/785562635.db2.gz WPOKJLQWYLOYJO-BBWFWOEESA-N 2 1 316.449 2.127 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109640697 785971944 /nfs/dbraw/zinc/97/19/44/785971944.db2.gz UCFRIQIHWNNONE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109640697 785971948 /nfs/dbraw/zinc/97/19/48/785971948.db2.gz UCFRIQIHWNNONE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109640697 785971955 /nfs/dbraw/zinc/97/19/55/785971955.db2.gz UCFRIQIHWNNONE-JCECYMMASA-N 2 1 319.493 2.404 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724327 786724168 /nfs/dbraw/zinc/72/41/68/786724168.db2.gz UHANWYRJCSJWQI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724327 786724176 /nfs/dbraw/zinc/72/41/76/786724176.db2.gz UHANWYRJCSJWQI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001014724327 786724182 /nfs/dbraw/zinc/72/41/82/786724182.db2.gz UHANWYRJCSJWQI-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114040679 787073112 /nfs/dbraw/zinc/07/31/12/787073112.db2.gz AAULWGYRVYWZNK-VVLHAWIVSA-N 2 1 307.482 2.097 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114040679 787073119 /nfs/dbraw/zinc/07/31/19/787073119.db2.gz AAULWGYRVYWZNK-VVLHAWIVSA-N 2 1 307.482 2.097 20 30 DEEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114040679 787073124 /nfs/dbraw/zinc/07/31/24/787073124.db2.gz AAULWGYRVYWZNK-VVLHAWIVSA-N 2 1 307.482 2.097 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204171 787973724 /nfs/dbraw/zinc/97/37/24/787973724.db2.gz UEJYEHULIHCQOA-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132204171 787973728 /nfs/dbraw/zinc/97/37/28/787973728.db2.gz UEJYEHULIHCQOA-DLBZAZTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132493583 788104708 /nfs/dbraw/zinc/10/47/08/788104708.db2.gz MGPQCTGPYCHETR-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097952905 788292321 /nfs/dbraw/zinc/29/23/21/788292321.db2.gz HNDDISRGVBDQBE-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097952905 788292327 /nfs/dbraw/zinc/29/23/27/788292327.db2.gz HNDDISRGVBDQBE-OAGGEKHMSA-N 2 1 316.449 2.304 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133345579 788375068 /nfs/dbraw/zinc/37/50/68/788375068.db2.gz DVXOUZGFKLHHFR-HIFRSBDPSA-N 2 1 315.889 2.153 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043501 788422658 /nfs/dbraw/zinc/42/26/58/788422658.db2.gz IUBUEBVDPHSMJA-KURKYZTESA-N 2 1 313.445 2.269 20 30 DEEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134809006 789098930 /nfs/dbraw/zinc/09/89/30/789098930.db2.gz NPXIPSSSHWAJDO-KGLIPLIRSA-N 2 1 322.453 2.189 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877297 789594646 /nfs/dbraw/zinc/59/46/46/789594646.db2.gz ADMOABWAUOUGJF-CVEARBPZSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071957318 789987524 /nfs/dbraw/zinc/98/75/24/789987524.db2.gz GVJBTTJKESMJLL-WBVHZDCISA-N 2 1 307.482 2.262 20 30 DEEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000398020067 790239825 /nfs/dbraw/zinc/23/98/25/790239825.db2.gz JMVCGXWZRRMYHW-AEFFLSMTSA-N 2 1 301.434 2.417 20 30 DEEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCC#N ZINC000398020067 790239830 /nfs/dbraw/zinc/23/98/30/790239830.db2.gz JMVCGXWZRRMYHW-AEFFLSMTSA-N 2 1 301.434 2.417 20 30 DEEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098231146 791594088 /nfs/dbraw/zinc/59/40/88/791594088.db2.gz ZBCBTWDRSHJVME-UNEWFSDZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098231146 791594095 /nfs/dbraw/zinc/59/40/95/791594095.db2.gz ZBCBTWDRSHJVME-UNEWFSDZSA-N 2 1 314.433 2.059 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459990 791633916 /nfs/dbraw/zinc/63/39/16/791633916.db2.gz VFZUXLCGJUZCIA-KURKYZTESA-N 2 1 313.445 2.269 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956434 791864234 /nfs/dbraw/zinc/86/42/34/791864234.db2.gz NPBAJJMRQSCKEY-IAGOWNOFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091943911 791909632 /nfs/dbraw/zinc/90/96/32/791909632.db2.gz JKPXQQVCLGFKFI-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943911 791909635 /nfs/dbraw/zinc/90/96/35/791909635.db2.gz JKPXQQVCLGFKFI-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091943911 791909640 /nfs/dbraw/zinc/90/96/40/791909640.db2.gz JKPXQQVCLGFKFI-SCTDSRPQSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922958 /nfs/dbraw/zinc/92/29/58/791922958.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922961 /nfs/dbraw/zinc/92/29/61/791922961.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010905 791922963 /nfs/dbraw/zinc/92/29/63/791922963.db2.gz NRVRPJZJPXGTJM-SCTDSRPQSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099029469 792047557 /nfs/dbraw/zinc/04/75/57/792047557.db2.gz COFHYWUAVNLTJP-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029469 792047567 /nfs/dbraw/zinc/04/75/67/792047567.db2.gz COFHYWUAVNLTJP-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029469 792047580 /nfs/dbraw/zinc/04/75/80/792047580.db2.gz COFHYWUAVNLTJP-LNLFQRSKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236202 792146225 /nfs/dbraw/zinc/14/62/25/792146225.db2.gz WZIYPRDBWPTTJN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236202 792146230 /nfs/dbraw/zinc/14/62/30/792146230.db2.gz WZIYPRDBWPTTJN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236202 792146237 /nfs/dbraw/zinc/14/62/37/792146237.db2.gz WZIYPRDBWPTTJN-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137382 792249445 /nfs/dbraw/zinc/24/94/45/792249445.db2.gz YSIUUYLCLOLSJG-HUUCEWRRSA-N 2 1 316.449 2.021 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137382 792249452 /nfs/dbraw/zinc/24/94/52/792249452.db2.gz YSIUUYLCLOLSJG-HUUCEWRRSA-N 2 1 316.449 2.021 20 30 DEEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100383015 792621719 /nfs/dbraw/zinc/62/17/19/792621719.db2.gz HNRJXIDYMLGOAB-OFLPRAFFSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471066 792672092 /nfs/dbraw/zinc/67/20/92/792672092.db2.gz NFSRDIUDAZBNCG-JCYILVPMSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858052 792882182 /nfs/dbraw/zinc/88/21/82/792882182.db2.gz CRAMWBZWHLTMSR-VJFUWPCTSA-N 2 1 315.461 2.350 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380317 792897255 /nfs/dbraw/zinc/89/72/55/792897255.db2.gz QRDDWHCYZPVJKW-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380317 792897264 /nfs/dbraw/zinc/89/72/64/792897264.db2.gz QRDDWHCYZPVJKW-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380317 792897273 /nfs/dbraw/zinc/89/72/73/792897273.db2.gz QRDDWHCYZPVJKW-JFIYKMOQSA-N 2 1 305.466 2.018 20 30 DEEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001171646065 793158240 /nfs/dbraw/zinc/15/82/40/793158240.db2.gz IBGNMGAXUXRMQP-ROUUACIJSA-N 2 1 321.509 2.395 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059112 793491031 /nfs/dbraw/zinc/49/10/31/793491031.db2.gz BIFNWJFJRKBJIN-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059112 793491037 /nfs/dbraw/zinc/49/10/37/793491037.db2.gz BIFNWJFJRKBJIN-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059112 793491040 /nfs/dbraw/zinc/49/10/40/793491040.db2.gz BIFNWJFJRKBJIN-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436338 794092306 /nfs/dbraw/zinc/09/23/06/794092306.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436338 794092315 /nfs/dbraw/zinc/09/23/15/794092315.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436338 794092319 /nfs/dbraw/zinc/09/23/19/794092319.db2.gz UJLUAWWSVGTODJ-RCCFBDPRSA-N 2 1 321.509 2.369 20 30 DEEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175555455 794241938 /nfs/dbraw/zinc/24/19/38/794241938.db2.gz HAPIVNDWKGWYJS-MRXNPFEDSA-N 2 1 318.465 2.294 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903624 794520996 /nfs/dbraw/zinc/52/09/96/794520996.db2.gz GVMQAXJVVHIETN-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903624 794521001 /nfs/dbraw/zinc/52/10/01/794521001.db2.gz GVMQAXJVVHIETN-WMZOPIPTSA-N 2 1 316.449 2.128 20 30 DEEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266431 794629169 /nfs/dbraw/zinc/62/91/69/794629169.db2.gz HMCIMJBCANNIRJ-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415543 794665642 /nfs/dbraw/zinc/66/56/42/794665642.db2.gz BOYQWPZMGKPAAG-KRWDZBQOSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161522 794693122 /nfs/dbraw/zinc/69/31/22/794693122.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161522 794693125 /nfs/dbraw/zinc/69/31/25/794693125.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161522 794693132 /nfs/dbraw/zinc/69/31/32/794693132.db2.gz HKJONVPCLJXLEC-VQFNDLOPSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533396 794812674 /nfs/dbraw/zinc/81/26/74/794812674.db2.gz DHGGVPLOODPAFP-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571520 794825287 /nfs/dbraw/zinc/82/52/87/794825287.db2.gz BYXNOPKMNGGPDF-QGZVFWFLSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579411 794828615 /nfs/dbraw/zinc/82/86/15/794828615.db2.gz MQKMNWHGPOSKOM-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630433 794850933 /nfs/dbraw/zinc/85/09/33/794850933.db2.gz LQVDOHFTAPWNOH-UHFFFAOYSA-N 2 1 304.438 2.176 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730993 794899030 /nfs/dbraw/zinc/89/90/30/794899030.db2.gz XADNGCVSQBQEHY-JKSUJKDBSA-N 2 1 307.482 2.169 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178722986 794974105 /nfs/dbraw/zinc/97/41/05/794974105.db2.gz ZGIGLWFILZZEFZ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC1CC1 ZINC001178722986 794974110 /nfs/dbraw/zinc/97/41/10/794974110.db2.gz ZGIGLWFILZZEFZ-SFHVURJKSA-N 2 1 319.493 2.150 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811122 795003026 /nfs/dbraw/zinc/00/30/26/795003026.db2.gz RILQKCYOLCMCML-ROUUACIJSA-N 2 1 319.493 2.293 20 30 DEEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178828229 795007364 /nfs/dbraw/zinc/00/73/64/795007364.db2.gz RXKPNWZGBIIXTL-HNNXBMFYSA-N 2 1 315.889 2.489 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179398265 795104639 /nfs/dbraw/zinc/10/46/39/795104639.db2.gz DQWXRRANVBLBPQ-BBWFWOEESA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179591251 795140349 /nfs/dbraw/zinc/14/03/49/795140349.db2.gz RJDVEMZUMMMOIA-IAGOWNOFSA-N 2 1 309.498 2.417 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180135576 795239401 /nfs/dbraw/zinc/23/94/01/795239401.db2.gz JLJWTGGRVHVUSI-DZKIICNBSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422804 795455863 /nfs/dbraw/zinc/45/58/63/795455863.db2.gz OOKWSGCSVJOJNF-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082189 795796993 /nfs/dbraw/zinc/79/69/93/795796993.db2.gz NAOOBDMZDRJCIJ-SJLPKXTDSA-N 2 1 309.498 2.369 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001183354101 795853040 /nfs/dbraw/zinc/85/30/40/795853040.db2.gz PLWFUZCSKRHKSL-IBQUMJASSA-N 2 1 317.477 2.021 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C/CCC)C1 ZINC001183354101 795853048 /nfs/dbraw/zinc/85/30/48/795853048.db2.gz PLWFUZCSKRHKSL-IBQUMJASSA-N 2 1 317.477 2.021 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867501 795954996 /nfs/dbraw/zinc/95/49/96/795954996.db2.gz DZOXJYLXAMLZAN-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184811055 796131469 /nfs/dbraw/zinc/13/14/69/796131469.db2.gz UPWUYLLXSLYHOB-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185167186 796199808 /nfs/dbraw/zinc/19/98/08/796199808.db2.gz CXDHBPMOASZHFW-IAGOWNOFSA-N 2 1 321.509 2.369 20 30 DEEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168699 796201304 /nfs/dbraw/zinc/20/13/04/796201304.db2.gz IUYQPJYXAZSJHG-IRXDYDNUSA-N 2 1 321.509 2.062 20 30 DEEDMP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC001138345743 796201987 /nfs/dbraw/zinc/20/19/87/796201987.db2.gz NXFYNHPBFZYYMW-UHFFFAOYSA-N 2 1 316.445 2.481 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185546397 796288630 /nfs/dbraw/zinc/28/86/30/796288630.db2.gz BLWAMPYJTQQCLO-DLBZAZTESA-N 2 1 309.498 2.369 20 30 DEEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659736 796301087 /nfs/dbraw/zinc/30/10/87/796301087.db2.gz PSOFTDORFCVUNI-IAGOWNOFSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185682987 796303283 /nfs/dbraw/zinc/30/32/83/796303283.db2.gz VLGLYTLSFICNJZ-RDJZCZTQSA-N 2 1 318.465 2.232 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151261 796633370 /nfs/dbraw/zinc/63/33/70/796633370.db2.gz SZCCIOKNAVNZDU-SJORKVTESA-N 2 1 301.434 2.056 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203103872 796649809 /nfs/dbraw/zinc/64/98/09/796649809.db2.gz NJCUASRBRQCHJZ-LSDHHAIUSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203103869 796650066 /nfs/dbraw/zinc/65/00/66/796650066.db2.gz NJCUASRBRQCHJZ-CABCVRRESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568989 796682084 /nfs/dbraw/zinc/68/20/84/796682084.db2.gz WCNJSDYQAAIQMY-HYVNUMGLSA-N 2 1 316.449 2.079 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188568989 796682088 /nfs/dbraw/zinc/68/20/88/796682088.db2.gz WCNJSDYQAAIQMY-HYVNUMGLSA-N 2 1 316.449 2.079 20 30 DEEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153653971 797371287 /nfs/dbraw/zinc/37/12/87/797371287.db2.gz LLMGZWZLGJXYOR-HZPDHXFCSA-N 2 1 315.477 2.459 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001153819127 797403283 /nfs/dbraw/zinc/40/32/83/797403283.db2.gz OSYYRQJQXPYJQR-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001153819127 797403287 /nfs/dbraw/zinc/40/32/87/797403287.db2.gz OSYYRQJQXPYJQR-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001153819127 797403291 /nfs/dbraw/zinc/40/32/91/797403291.db2.gz OSYYRQJQXPYJQR-IAGOWNOFSA-N 2 1 307.482 2.099 20 30 DEEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083098 797457636 /nfs/dbraw/zinc/45/76/36/797457636.db2.gz GRRJRVDCFJYABD-MRXNPFEDSA-N 2 1 318.465 2.311 20 30 DEEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905260 797468311 /nfs/dbraw/zinc/46/83/11/797468311.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905260 797468316 /nfs/dbraw/zinc/46/83/16/797468316.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905260 797468320 /nfs/dbraw/zinc/46/83/20/797468320.db2.gz CZZVBOAAGQTGJE-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)CC1 ZINC001194245755 797699520 /nfs/dbraw/zinc/69/95/20/797699520.db2.gz DRYDIGPIRACHRK-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001155622379 797808203 /nfs/dbraw/zinc/80/82/03/797808203.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001155622379 797808210 /nfs/dbraw/zinc/80/82/10/797808210.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001155622379 797808217 /nfs/dbraw/zinc/80/82/17/797808217.db2.gz VDDBTNMBGVQRBC-SJORKVTESA-N 2 1 307.482 2.099 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473386 798412645 /nfs/dbraw/zinc/41/26/45/798412645.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473386 798412652 /nfs/dbraw/zinc/41/26/52/798412652.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473386 798412654 /nfs/dbraw/zinc/41/26/54/798412654.db2.gz KRWDJRFNAQLSRL-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175506 798658860 /nfs/dbraw/zinc/65/88/60/798658860.db2.gz VPYCBRKYTFEFNG-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175506 798658861 /nfs/dbraw/zinc/65/88/61/798658861.db2.gz VPYCBRKYTFEFNG-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175506 798658862 /nfs/dbraw/zinc/65/88/62/798658862.db2.gz VPYCBRKYTFEFNG-SJLPKXTDSA-N 2 1 319.493 2.431 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCC)CC1 ZINC001201094385 798712297 /nfs/dbraw/zinc/71/22/97/798712297.db2.gz ROZLBEPFUSREAJ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCC)CC1 ZINC001201094385 798712299 /nfs/dbraw/zinc/71/22/99/798712299.db2.gz ROZLBEPFUSREAJ-SFHVURJKSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001161323131 798827544 /nfs/dbraw/zinc/82/75/44/798827544.db2.gz CZOAFKHCVCVHJM-HIFRSBDPSA-N 2 1 318.465 2.274 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733652 798925924 /nfs/dbraw/zinc/92/59/24/798925924.db2.gz HLIBZGLMJCFTQE-UHFFFAOYSA-N 2 1 307.482 2.433 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161862739 798951503 /nfs/dbraw/zinc/95/15/03/798951503.db2.gz JGVGOPDYUNFQPR-AEFFLSMTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161862739 798951509 /nfs/dbraw/zinc/95/15/09/798951509.db2.gz JGVGOPDYUNFQPR-AEFFLSMTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161862739 798951514 /nfs/dbraw/zinc/95/15/14/798951514.db2.gz JGVGOPDYUNFQPR-AEFFLSMTSA-N 2 1 319.493 2.431 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673594 798958976 /nfs/dbraw/zinc/95/89/76/798958976.db2.gz IMKVQGHHAXPGOM-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673594 798958983 /nfs/dbraw/zinc/95/89/83/798958983.db2.gz IMKVQGHHAXPGOM-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673594 798958989 /nfs/dbraw/zinc/95/89/89/798958989.db2.gz IMKVQGHHAXPGOM-ZACQAIPSSA-N 2 1 305.466 2.158 20 30 DEEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164491949 799609593 /nfs/dbraw/zinc/60/95/93/799609593.db2.gz REYGHSMJACYELO-QGZVFWFLSA-N 2 1 307.482 2.456 20 30 DEEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203508296 800065047 /nfs/dbraw/zinc/06/50/47/800065047.db2.gz XKZDKLCXSHCYJT-IAGOWNOFSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732221 800114425 /nfs/dbraw/zinc/11/44/25/800114425.db2.gz XMPGCFZPRNUTEB-HZPDHXFCSA-N 2 1 316.449 2.175 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791395 800123917 /nfs/dbraw/zinc/12/39/17/800123917.db2.gz IEIQGUUFMCRAGC-CVEARBPZSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205335328 800344815 /nfs/dbraw/zinc/34/48/15/800344815.db2.gz XDGDUGSGBZPRDZ-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206960141 800641415 /nfs/dbraw/zinc/64/14/15/800641415.db2.gz UZASKTLILONLHT-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206960141 800641416 /nfs/dbraw/zinc/64/14/16/800641416.db2.gz UZASKTLILONLHT-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206960141 800641417 /nfs/dbraw/zinc/64/14/17/800641417.db2.gz UZASKTLILONLHT-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001207006923 800653866 /nfs/dbraw/zinc/65/38/66/800653866.db2.gz CKAZCICIARAHJP-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006923 800653869 /nfs/dbraw/zinc/65/38/69/800653869.db2.gz CKAZCICIARAHJP-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006923 800653871 /nfs/dbraw/zinc/65/38/71/800653871.db2.gz CKAZCICIARAHJP-BZUAXINKSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207538294 800773852 /nfs/dbraw/zinc/77/38/52/800773852.db2.gz MQUBFALBVYOBQG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538294 800773856 /nfs/dbraw/zinc/77/38/56/800773856.db2.gz MQUBFALBVYOBQG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207538294 800773859 /nfs/dbraw/zinc/77/38/59/800773859.db2.gz MQUBFALBVYOBQG-KZNAEPCWSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567848 800781598 /nfs/dbraw/zinc/78/15/98/800781598.db2.gz CHJZVPPHUGKSIG-HLLBOEOZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567848 800781601 /nfs/dbraw/zinc/78/16/01/800781601.db2.gz CHJZVPPHUGKSIG-HLLBOEOZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567848 800781602 /nfs/dbraw/zinc/78/16/02/800781602.db2.gz CHJZVPPHUGKSIG-HLLBOEOZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)CC1 ZINC001208604136 801026650 /nfs/dbraw/zinc/02/66/50/801026650.db2.gz LDNVKXZVQDDNFH-MRXNPFEDSA-N 2 1 321.465 2.049 20 30 DEEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)CC1 ZINC001208604136 801026655 /nfs/dbraw/zinc/02/66/55/801026655.db2.gz LDNVKXZVQDDNFH-MRXNPFEDSA-N 2 1 321.465 2.049 20 30 DEEDMP CC#CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001229641840 801300381 /nfs/dbraw/zinc/30/03/81/801300381.db2.gz SIWZGJHJYZABGQ-UHFFFAOYSA-N 2 1 307.482 2.102 20 30 DEEDMP N#Cc1ccc(F)c(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271669 801365961 /nfs/dbraw/zinc/36/59/61/801365961.db2.gz ZLXVTEQMTGBNAS-UHFFFAOYSA-N 2 1 315.327 2.385 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230614092 801436471 /nfs/dbraw/zinc/43/64/71/801436471.db2.gz WPUCIOQJCJVNOP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230614092 801436476 /nfs/dbraw/zinc/43/64/76/801436476.db2.gz WPUCIOQJCJVNOP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230614092 801436480 /nfs/dbraw/zinc/43/64/80/801436480.db2.gz WPUCIOQJCJVNOP-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214888981 801773260 /nfs/dbraw/zinc/77/32/60/801773260.db2.gz FIFDQCIMDAMSGV-IXDOHACOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1ncc[nH]1 ZINC001234011192 802266180 /nfs/dbraw/zinc/26/61/80/802266180.db2.gz JFIOBQXTRSFIMP-CABCVRRESA-N 2 1 304.438 2.230 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221617004 802598395 /nfs/dbraw/zinc/59/83/95/802598395.db2.gz ZPNWZGZQXMYZHU-GVDBMIGSSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714192 802606235 /nfs/dbraw/zinc/60/62/35/802606235.db2.gz RJUXMCRPFOGMTH-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849118 802622541 /nfs/dbraw/zinc/62/25/41/802622541.db2.gz XGSQUCYKSGKOHN-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221878070 802623424 /nfs/dbraw/zinc/62/34/24/802623424.db2.gz ZPNCGIJTPDUSTD-ZACQAIPSSA-N 2 1 307.482 2.072 20 30 DEEDMP CCCCCCC/C=C/C[N@@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515706 802699455 /nfs/dbraw/zinc/69/94/55/802699455.db2.gz YHEJQSFOMINJOM-CMDGGOBGSA-N 2 1 307.482 2.457 20 30 DEEDMP CCCCCCC/C=C/C[N@H+]1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001222515706 802699457 /nfs/dbraw/zinc/69/94/57/802699457.db2.gz YHEJQSFOMINJOM-CMDGGOBGSA-N 2 1 307.482 2.457 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001222613288 802716984 /nfs/dbraw/zinc/71/69/84/802716984.db2.gz VLIRGYLMDVNDTK-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223488070 802795373 /nfs/dbraw/zinc/79/53/73/802795373.db2.gz ZLSYFSOWEGZOIH-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001223488070 802795376 /nfs/dbraw/zinc/79/53/76/802795376.db2.gz ZLSYFSOWEGZOIH-UHFFFAOYSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245916 802850982 /nfs/dbraw/zinc/85/09/82/802850982.db2.gz LCRQNGRHYQKDRZ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245916 802850988 /nfs/dbraw/zinc/85/09/88/802850988.db2.gz LCRQNGRHYQKDRZ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245916 802850994 /nfs/dbraw/zinc/85/09/94/802850994.db2.gz LCRQNGRHYQKDRZ-SJORKVTESA-N 2 1 307.482 2.216 20 30 DEEDMP C[N+](C)(C)CCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224624512 802888028 /nfs/dbraw/zinc/88/80/28/802888028.db2.gz WSYQFWWUUOPVDH-SFHVURJKSA-N 2 1 302.442 2.245 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225426744 802965151 /nfs/dbraw/zinc/96/51/51/802965151.db2.gz GDHZYLPCKJPFLS-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226772924 803156118 /nfs/dbraw/zinc/15/61/18/803156118.db2.gz AIHGSJQHJNXKRI-BZUAXINKSA-N 2 1 316.449 2.354 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001227986644 803302215 /nfs/dbraw/zinc/30/22/15/803302215.db2.gz IIKQIGZYSPIJDG-NVXWUHKLSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001331073972 1149374352 /nfs/dbraw/zinc/37/43/52/1149374352.db2.gz FLSJBCBQTSRJTR-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001331073972 1149374359 /nfs/dbraw/zinc/37/43/59/1149374359.db2.gz FLSJBCBQTSRJTR-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001331073972 1149374366 /nfs/dbraw/zinc/37/43/66/1149374366.db2.gz FLSJBCBQTSRJTR-IYBDPMFKSA-N 2 1 307.482 2.358 20 30 DEEDMP C#CC[NH2+]CCC[C@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001331178037 1149393152 /nfs/dbraw/zinc/39/31/52/1149393152.db2.gz ZOISWOBYLBGTOO-SFHVURJKSA-N 2 1 324.428 2.052 20 30 DEEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001501190257 1059361421 /nfs/dbraw/zinc/36/14/21/1059361421.db2.gz ULNZKZNVDQFHGQ-QAQDUYKDSA-N 2 1 318.465 2.280 20 30 DEEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001501195975 1059365901 /nfs/dbraw/zinc/36/59/01/1059365901.db2.gz LTUIQNCBHJXOCI-GOSISDBHSA-N 2 1 315.461 2.275 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1 ZINC001501698472 1059648765 /nfs/dbraw/zinc/64/87/65/1059648765.db2.gz MXAKTDMRTAKYKT-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(C)C)CC1 ZINC001501698472 1059648779 /nfs/dbraw/zinc/64/87/79/1059648779.db2.gz MXAKTDMRTAKYKT-BZSNNMDCSA-N 2 1 319.493 2.005 20 30 DEEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001502744643 1060268420 /nfs/dbraw/zinc/26/84/20/1060268420.db2.gz HOXHLQDVVLOTAC-LSDHHAIUSA-N 2 1 304.438 2.019 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001502809959 1060315641 /nfs/dbraw/zinc/31/56/41/1060315641.db2.gz QAQUVKMHKYGOPU-UHFFFAOYSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001502967172 1060409082 /nfs/dbraw/zinc/40/90/82/1060409082.db2.gz HLKYUXJHDSJLBW-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)Cc2cncn2C)CC1 ZINC001505400545 1060534454 /nfs/dbraw/zinc/53/44/54/1060534454.db2.gz UIEAFAIFXDOFAC-UHFFFAOYSA-N 2 1 318.465 2.099 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC001505405609 1060540174 /nfs/dbraw/zinc/54/01/74/1060540174.db2.gz MTMXTBWVSHEPFN-INIZCTEOSA-N 2 1 304.438 2.279 20 30 DEEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001505836443 1061020814 /nfs/dbraw/zinc/02/08/14/1061020814.db2.gz FDHLBWQXKVLFHT-UHFFFAOYSA-N 2 1 318.465 2.104 20 30 DEEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001479830876 1061861193 /nfs/dbraw/zinc/86/11/93/1061861193.db2.gz RJNJUMHMVFCUOA-IRXDYDNUSA-N 2 1 321.509 2.347 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479965186 1062121342 /nfs/dbraw/zinc/12/13/42/1062121342.db2.gz NUFBJTGQAYVDOF-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480070810 1062272602 /nfs/dbraw/zinc/27/26/02/1062272602.db2.gz AMXFHMGJKUIPCY-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480070810 1062272624 /nfs/dbraw/zinc/27/26/24/1062272624.db2.gz AMXFHMGJKUIPCY-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480070810 1062272641 /nfs/dbraw/zinc/27/26/41/1062272641.db2.gz AMXFHMGJKUIPCY-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001480384718 1062765337 /nfs/dbraw/zinc/76/53/37/1062765337.db2.gz CJRHWOKRUJCBQD-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384718 1062765350 /nfs/dbraw/zinc/76/53/50/1062765350.db2.gz CJRHWOKRUJCBQD-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001480384718 1062765354 /nfs/dbraw/zinc/76/53/54/1062765354.db2.gz CJRHWOKRUJCBQD-HUUCEWRRSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387905 1062776076 /nfs/dbraw/zinc/77/60/76/1062776076.db2.gz UVSVOZNXXWVCNR-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001507386510 1063207763 /nfs/dbraw/zinc/20/77/63/1063207763.db2.gz LZSIESDYPVKJER-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001493827250 1063979336 /nfs/dbraw/zinc/97/93/36/1063979336.db2.gz LZRLMLQCSUBQDR-DOTOQJQBSA-N 2 1 307.482 2.262 20 30 DEEDMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001493966174 1064047836 /nfs/dbraw/zinc/04/78/36/1064047836.db2.gz BHTJEQYBCKNBBJ-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001493966174 1064047842 /nfs/dbraw/zinc/04/78/42/1064047842.db2.gz BHTJEQYBCKNBBJ-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001493966174 1064047848 /nfs/dbraw/zinc/04/78/48/1064047848.db2.gz BHTJEQYBCKNBBJ-KRWDZBQOSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001494196778 1064168257 /nfs/dbraw/zinc/16/82/57/1064168257.db2.gz UEVCHQAVKBXQQU-GOSISDBHSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001494198635 1064169308 /nfs/dbraw/zinc/16/93/08/1064169308.db2.gz BVGXZROEIJYBGB-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001494204581 1064171866 /nfs/dbraw/zinc/17/18/66/1064171866.db2.gz DRCGQIYWHJWXLO-UHFFFAOYSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001567666127 1064329054 /nfs/dbraw/zinc/32/90/54/1064329054.db2.gz SOLKKBXECMTPHH-MSOLQXFVSA-N 2 1 315.461 2.351 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567692552 1064348179 /nfs/dbraw/zinc/34/81/79/1064348179.db2.gz COAGOCAALTYQLB-GOSISDBHSA-N 2 1 319.493 2.199 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001567692493 1064349725 /nfs/dbraw/zinc/34/97/25/1064349725.db2.gz BTKSTKQZLSAASZ-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001568044491 1064614452 /nfs/dbraw/zinc/61/44/52/1064614452.db2.gz YOFYWVZHJQRCJT-CRAIPNDOSA-N 2 1 318.465 2.422 20 30 DEEDMP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001568105774 1064649619 /nfs/dbraw/zinc/64/96/19/1064649619.db2.gz YEMHDSOSULOSNR-QBPKDAKJSA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001568393096 1064833025 /nfs/dbraw/zinc/83/30/25/1064833025.db2.gz CWSBHAJJQGEYHW-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001568551876 1064960518 /nfs/dbraw/zinc/96/05/18/1064960518.db2.gz WMFLGZSVKINYJO-UHFFFAOYSA-N 2 1 317.477 2.371 20 30 DEEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001496448393 1065477611 /nfs/dbraw/zinc/47/76/11/1065477611.db2.gz HRPOPVUJHVSWBH-JKSUJKDBSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001569466811 1065525150 /nfs/dbraw/zinc/52/51/50/1065525150.db2.gz FYZRUPXMMFRSEZ-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569668934 1065661020 /nfs/dbraw/zinc/66/10/20/1065661020.db2.gz DFOFDUFOVLBAAH-SJLPKXTDSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001569813453 1065734553 /nfs/dbraw/zinc/73/45/53/1065734553.db2.gz HVGMZGPNBPTHOW-CVEARBPZSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001496861901 1065761557 /nfs/dbraw/zinc/76/15/57/1065761557.db2.gz VBILBAYUTGIUJK-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001496861901 1065761572 /nfs/dbraw/zinc/76/15/72/1065761572.db2.gz VBILBAYUTGIUJK-DLBZAZTESA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001496867967 1065764763 /nfs/dbraw/zinc/76/47/63/1065764763.db2.gz MNDQFRWLGIWOBL-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001496867967 1065764770 /nfs/dbraw/zinc/76/47/70/1065764770.db2.gz MNDQFRWLGIWOBL-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001496867967 1065764781 /nfs/dbraw/zinc/76/47/81/1065764781.db2.gz MNDQFRWLGIWOBL-HUUCEWRRSA-N 2 1 313.873 2.004 20 30 DEEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001570255078 1065993103 /nfs/dbraw/zinc/99/31/03/1065993103.db2.gz OVDXBWCMUFJUGQ-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP CC(C)[C@H](C[NH3+])C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001575421917 1066296601 /nfs/dbraw/zinc/29/66/01/1066296601.db2.gz CTSQSPMKUCMEET-QZTJIDSGSA-N 2 1 300.450 2.100 20 30 DEEDMP CC(C)[C@@H](C[NH3+])C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001575421919 1066296918 /nfs/dbraw/zinc/29/69/18/1066296918.db2.gz CTSQSPMKUCMEET-ZWKOTPCHSA-N 2 1 300.450 2.100 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCc2cnc[nH]2)[C@@H](C)C1 ZINC001499835052 1067353663 /nfs/dbraw/zinc/35/36/63/1067353663.db2.gz LOINPVQEVAFUIQ-LSDHHAIUSA-N 2 1 304.438 2.278 20 30 DEEDMP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001570564324 1068008615 /nfs/dbraw/zinc/00/86/15/1068008615.db2.gz VPVVPRHDUGKFBO-LEOMRAHMSA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267177912 1078641695 /nfs/dbraw/zinc/64/16/95/1078641695.db2.gz ZJMMHOUSGOMGLE-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001571639548 1068453680 /nfs/dbraw/zinc/45/36/80/1068453680.db2.gz QPKIDQQLJVLOFK-CVEARBPZSA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267307554 1078753056 /nfs/dbraw/zinc/75/30/56/1078753056.db2.gz AWDDRNYLFSJQDL-CQSZACIVSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001267307554 1078753060 /nfs/dbraw/zinc/75/30/60/1078753060.db2.gz AWDDRNYLFSJQDL-CQSZACIVSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001267307554 1078753065 /nfs/dbraw/zinc/75/30/65/1078753065.db2.gz AWDDRNYLFSJQDL-CQSZACIVSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267357868 1078790809 /nfs/dbraw/zinc/79/08/09/1078790809.db2.gz SQZVSYJVPPYPCO-ZWKOTPCHSA-N 2 1 315.461 2.492 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001483705820 1078830275 /nfs/dbraw/zinc/83/02/75/1078830275.db2.gz JIRHOIUUPVMUAC-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C#C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccc(Cl)cc1F ZINC001574503839 1069231714 /nfs/dbraw/zinc/23/17/14/1069231714.db2.gz DNNXVBVDNDAOHM-INIZCTEOSA-N 2 1 309.816 2.166 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267488305 1078914567 /nfs/dbraw/zinc/91/45/67/1078914567.db2.gz ITGOIVICSQIDSP-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP CC#CC[N@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001483813270 1079136899 /nfs/dbraw/zinc/13/68/99/1079136899.db2.gz LBODGRNOIAQXIO-SFHVURJKSA-N 2 1 321.509 2.491 20 30 DEEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001496300100 1079246111 /nfs/dbraw/zinc/24/61/11/1079246111.db2.gz IVYAMDNGLXZAER-SJORKVTESA-N 2 1 307.482 2.005 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484070111 1079284510 /nfs/dbraw/zinc/28/45/10/1079284510.db2.gz CBDFEEGKAZRDQC-MRXNPFEDSA-N 2 1 313.873 2.196 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001484070111 1079284512 /nfs/dbraw/zinc/28/45/12/1079284512.db2.gz CBDFEEGKAZRDQC-MRXNPFEDSA-N 2 1 313.873 2.196 20 30 DEEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001484136334 1079317540 /nfs/dbraw/zinc/31/75/40/1079317540.db2.gz CKNJUPRMHPDVPK-MRXNPFEDSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484160001 1079334702 /nfs/dbraw/zinc/33/47/02/1079334702.db2.gz AEAWJNXQCPHUEO-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484160001 1079334708 /nfs/dbraw/zinc/33/47/08/1079334708.db2.gz AEAWJNXQCPHUEO-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484160001 1079334710 /nfs/dbraw/zinc/33/47/10/1079334710.db2.gz AEAWJNXQCPHUEO-JFIYKMOQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001567818092 1075096455 /nfs/dbraw/zinc/09/64/55/1075096455.db2.gz CFVWMOQKIPVXKX-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001565852559 1075197386 /nfs/dbraw/zinc/19/73/86/1075197386.db2.gz PITNEZDHNCZPQJ-XDNAFOTISA-N 2 1 319.493 2.454 20 30 DEEDMP CC#CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC001566717599 1075325413 /nfs/dbraw/zinc/32/54/13/1075325413.db2.gz RCAOYDISRMYRKQ-SFHVURJKSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001566843914 1075359223 /nfs/dbraw/zinc/35/92/23/1075359223.db2.gz QOTLFOFZHQMPJV-IXDOHACOSA-N 2 1 307.482 2.310 20 30 DEEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001484571049 1079668168 /nfs/dbraw/zinc/66/81/68/1079668168.db2.gz KDHBOZCWOQWQPA-KZNAEPCWSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001484580174 1079669301 /nfs/dbraw/zinc/66/93/01/1079669301.db2.gz YRYKWBKPYPVSOU-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001484769375 1079786040 /nfs/dbraw/zinc/78/60/40/1079786040.db2.gz TUFHQQMSXXKHAI-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500154 1079958835 /nfs/dbraw/zinc/95/88/35/1079958835.db2.gz CXBGYJVDCFWHAX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001481500154 1079958842 /nfs/dbraw/zinc/95/88/42/1079958842.db2.gz CXBGYJVDCFWHAX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001481500154 1079958851 /nfs/dbraw/zinc/95/88/51/1079958851.db2.gz CXBGYJVDCFWHAX-ZWKOTPCHSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001481521918 1079991491 /nfs/dbraw/zinc/99/14/91/1079991491.db2.gz XECYWINFAIRZHS-IAGOWNOFSA-N 2 1 319.493 2.053 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001656200695 1080064516 /nfs/dbraw/zinc/06/45/16/1080064516.db2.gz HNRJXIDYMLGOAB-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268236202 1080216936 /nfs/dbraw/zinc/21/69/36/1080216936.db2.gz CWPFOPSVBSJIOW-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268236202 1080216944 /nfs/dbraw/zinc/21/69/44/1080216944.db2.gz CWPFOPSVBSJIOW-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001485457390 1080226631 /nfs/dbraw/zinc/22/66/31/1080226631.db2.gz LSZSRBBVNVKATQ-UHFFFAOYSA-N 2 1 316.449 2.048 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481729500 1080397232 /nfs/dbraw/zinc/39/72/32/1080397232.db2.gz WDSUEACAXKQUOO-IAGOWNOFSA-N 2 1 307.482 2.358 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001662844896 1080666356 /nfs/dbraw/zinc/66/63/56/1080666356.db2.gz JWMNQDBGFQAIQL-SJORKVTESA-N 2 1 309.498 2.462 20 30 DEEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001664442679 1080910782 /nfs/dbraw/zinc/91/07/82/1080910782.db2.gz NUQNWCUABBLHHQ-AEFFLSMTSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)CC[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001268828579 1081011220 /nfs/dbraw/zinc/01/12/20/1081011220.db2.gz FMEKXRARGRRLDV-OAHLLOKOSA-N 2 1 318.465 2.411 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001665646629 1081055995 /nfs/dbraw/zinc/05/59/95/1081055995.db2.gz AZYNTKYGUHOLNT-QGZVFWFLSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001268979197 1081073130 /nfs/dbraw/zinc/07/31/30/1081073130.db2.gz ZKGMXBSPTKOCDB-YESZJQIVSA-N 2 1 307.482 2.358 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001666219096 1081134283 /nfs/dbraw/zinc/13/42/83/1081134283.db2.gz MEPZCDNPVKSTRV-MSOLQXFVSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC(CCNC(=O)CCc2cnc[nH]2)CC1 ZINC001666368459 1081148583 /nfs/dbraw/zinc/14/85/83/1081148583.db2.gz ZRRZRQSTXRMBCS-UHFFFAOYSA-N 2 1 304.438 2.137 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666620922 1081167599 /nfs/dbraw/zinc/16/75/99/1081167599.db2.gz UZGCHOZGOYBGIZ-YOEHRIQHSA-N 2 1 313.461 2.117 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C(C)C)CC1 ZINC001667412782 1081249421 /nfs/dbraw/zinc/24/94/21/1081249421.db2.gz BHSOPJLOWXBQQC-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1 ZINC001667412782 1081249427 /nfs/dbraw/zinc/24/94/27/1081249427.db2.gz BHSOPJLOWXBQQC-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001667412782 1081249431 /nfs/dbraw/zinc/24/94/31/1081249431.db2.gz BHSOPJLOWXBQQC-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)C(C)C)CC1 ZINC001667412782 1081249438 /nfs/dbraw/zinc/24/94/38/1081249438.db2.gz BHSOPJLOWXBQQC-SFHVURJKSA-N 2 1 319.493 2.053 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001482219509 1081251554 /nfs/dbraw/zinc/25/15/54/1081251554.db2.gz KLKRENPODUIKON-MRXNPFEDSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001667472492 1081254542 /nfs/dbraw/zinc/25/45/42/1081254542.db2.gz ARJBLZSBEWPUGN-IRXDYDNUSA-N 2 1 309.498 2.413 20 30 DEEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001493206131 1081364023 /nfs/dbraw/zinc/36/40/23/1081364023.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001493206131 1081364031 /nfs/dbraw/zinc/36/40/31/1081364031.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001493206131 1081364036 /nfs/dbraw/zinc/36/40/36/1081364036.db2.gz DVXBPYMFXZZPDO-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001269864483 1081386185 /nfs/dbraw/zinc/38/61/85/1081386185.db2.gz BSLHIHQOVCEXKE-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812633 1081409669 /nfs/dbraw/zinc/40/96/69/1081409669.db2.gz PMLBSDZOLAKHEQ-OWSLCNJRSA-N 2 1 317.477 2.158 20 30 DEEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001270024774 1081430090 /nfs/dbraw/zinc/43/00/90/1081430090.db2.gz JVVMDKXEVTYINX-XSLAGTTESA-N 2 1 317.477 2.044 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001270050917 1081438849 /nfs/dbraw/zinc/43/88/49/1081438849.db2.gz RKBRWAUDYLLUGE-IAGOWNOFSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001270055112 1081439544 /nfs/dbraw/zinc/43/95/44/1081439544.db2.gz WASKCEAPBLRRNH-SFHVURJKSA-N 2 1 315.461 2.453 20 30 DEEDMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001669645180 1081461042 /nfs/dbraw/zinc/46/10/42/1081461042.db2.gz PUPOVKSAHAEFJC-DOTOQJQBSA-N 2 1 307.482 2.454 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001669973883 1081485973 /nfs/dbraw/zinc/48/59/73/1081485973.db2.gz OASCKVFVYAGGMK-SJORKVTESA-N 2 1 318.465 2.422 20 30 DEEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001270486683 1081535455 /nfs/dbraw/zinc/53/54/55/1081535455.db2.gz OVISFZHSYMUVMG-WBVHZDCISA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001671748317 1081536613 /nfs/dbraw/zinc/53/66/13/1081536613.db2.gz SIUKKSFHRZDJOO-SFHVURJKSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001270513728 1081541193 /nfs/dbraw/zinc/54/11/93/1081541193.db2.gz REFWBCOSSACTDR-SFHVURJKSA-N 2 1 307.482 2.219 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001672356543 1081588548 /nfs/dbraw/zinc/58/85/48/1081588548.db2.gz WYDTUJUMYIRVQF-BCDXTJNWSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001674154777 1081849572 /nfs/dbraw/zinc/84/95/72/1081849572.db2.gz MJVVRWWUGZADND-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001674352974 1081863369 /nfs/dbraw/zinc/86/33/69/1081863369.db2.gz JZOTVORXVAHFRR-QGZVFWFLSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001272016633 1082271658 /nfs/dbraw/zinc/27/16/58/1082271658.db2.gz SRLLIGOTUXXXJB-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001272016633 1082271664 /nfs/dbraw/zinc/27/16/64/1082271664.db2.gz SRLLIGOTUXXXJB-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C ZINC001272016633 1082271666 /nfs/dbraw/zinc/27/16/66/1082271666.db2.gz SRLLIGOTUXXXJB-BRWVUGGUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769728 1082332728 /nfs/dbraw/zinc/33/27/28/1082332728.db2.gz GRLMINOUQCLEQM-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266769728 1082332736 /nfs/dbraw/zinc/33/27/36/1082332736.db2.gz GRLMINOUQCLEQM-WMZOPIPTSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266852957 1082395938 /nfs/dbraw/zinc/39/59/38/1082395938.db2.gz BXZHPVSOLLEPSR-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266901891 1082441910 /nfs/dbraw/zinc/44/19/10/1082441910.db2.gz DJBPWUSBPCWRJV-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266901891 1082441912 /nfs/dbraw/zinc/44/19/12/1082441912.db2.gz DJBPWUSBPCWRJV-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266901891 1082441914 /nfs/dbraw/zinc/44/19/14/1082441914.db2.gz DJBPWUSBPCWRJV-ZBRFXRBCSA-N 2 1 317.477 2.016 20 30 DEEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001272152271 1082607351 /nfs/dbraw/zinc/60/73/51/1082607351.db2.gz SBHSKZIVNAOIPD-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001272152271 1082607352 /nfs/dbraw/zinc/60/73/52/1082607352.db2.gz SBHSKZIVNAOIPD-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001272152271 1082607353 /nfs/dbraw/zinc/60/73/53/1082607353.db2.gz SBHSKZIVNAOIPD-SFHVURJKSA-N 2 1 315.461 2.093 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483227591 1082828651 /nfs/dbraw/zinc/82/86/51/1082828651.db2.gz LXYGYVWSBMTOBP-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483251583 1083057313 /nfs/dbraw/zinc/05/73/13/1083057313.db2.gz GGXHEVRICCHCEA-AWEZNQCLSA-N 2 1 315.889 2.488 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001276839606 1083640295 /nfs/dbraw/zinc/64/02/95/1083640295.db2.gz KTMQMLBGWCWDIZ-RCCFBDPRSA-N 2 1 319.493 2.265 20 30 DEEDMP Cn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2)cc1C#N ZINC001277693730 1084098627 /nfs/dbraw/zinc/09/86/27/1084098627.db2.gz KNDRXYWLAUTLMJ-CALCHBBNSA-N 2 1 307.401 2.145 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001670923082 1084147026 /nfs/dbraw/zinc/14/70/26/1084147026.db2.gz IJXFZGZZHOTCQV-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001491260570 1084188467 /nfs/dbraw/zinc/18/84/67/1084188467.db2.gz ROQJNEGHUGNIQH-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297722 1084217514 /nfs/dbraw/zinc/21/75/14/1084217514.db2.gz JAYADEJDABIJLH-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491297722 1084217521 /nfs/dbraw/zinc/21/75/21/1084217521.db2.gz JAYADEJDABIJLH-CVEARBPZSA-N 2 1 318.465 2.409 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001272837264 1084359170 /nfs/dbraw/zinc/35/91/70/1084359170.db2.gz GCSXVMISMFFURX-AEFFLSMTSA-N 2 1 317.477 2.069 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001272837264 1084359179 /nfs/dbraw/zinc/35/91/79/1084359179.db2.gz GCSXVMISMFFURX-AEFFLSMTSA-N 2 1 317.477 2.069 20 30 DEEDMP N#CCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943575 1084423424 /nfs/dbraw/zinc/42/34/24/1084423424.db2.gz ZFNXOKXNJOWMFT-UHFFFAOYSA-N 2 1 314.433 2.379 20 30 DEEDMP N#CCCCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277947991 1084442460 /nfs/dbraw/zinc/44/24/60/1084442460.db2.gz DAQNJWFCTNRUKH-UHFFFAOYSA-N 2 1 315.465 2.365 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001486156129 1085097516 /nfs/dbraw/zinc/09/75/16/1085097516.db2.gz TWGXRKOLMNARKP-WMZOPIPTSA-N 2 1 305.466 2.162 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H]1C ZINC001486175677 1085105201 /nfs/dbraw/zinc/10/52/01/1085105201.db2.gz GDRDXKXDAYCQJG-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001486175677 1085105206 /nfs/dbraw/zinc/10/52/06/1085105206.db2.gz GDRDXKXDAYCQJG-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001486175677 1085105208 /nfs/dbraw/zinc/10/52/08/1085105208.db2.gz GDRDXKXDAYCQJG-WMZOPIPTSA-N 2 1 319.493 2.243 20 30 DEEDMP CC#CC[N@@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001486368993 1085237563 /nfs/dbraw/zinc/23/75/63/1085237563.db2.gz GUVRRWUFZPPXBR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001486368993 1085237576 /nfs/dbraw/zinc/23/75/76/1085237576.db2.gz GUVRRWUFZPPXBR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP CC#CC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001486368993 1085237591 /nfs/dbraw/zinc/23/75/91/1085237591.db2.gz GUVRRWUFZPPXBR-KRWDZBQOSA-N 2 1 307.482 2.053 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001486409701 1085281067 /nfs/dbraw/zinc/28/10/67/1085281067.db2.gz IQTXTVHQDXHKCG-ZBFHGGJFSA-N 2 1 318.465 2.060 20 30 DEEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001486439751 1085323257 /nfs/dbraw/zinc/32/32/57/1085323257.db2.gz LJSKIPWDNQRULO-CQSZACIVSA-N 2 1 315.889 2.297 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284585 1085670301 /nfs/dbraw/zinc/67/03/01/1085670301.db2.gz NRDCHBITVPLXES-ROUUACIJSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963787394 1086558838 /nfs/dbraw/zinc/55/88/38/1086558838.db2.gz IWABDNNSLHRUDI-RFSHTEQGSA-N 2 1 319.493 2.452 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000957287141 1088148622 /nfs/dbraw/zinc/14/86/22/1088148622.db2.gz XNZIQLNXAHLZKL-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000957287141 1088148626 /nfs/dbraw/zinc/14/86/26/1088148626.db2.gz XNZIQLNXAHLZKL-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603055 1088451041 /nfs/dbraw/zinc/45/10/41/1088451041.db2.gz MNOAWIOWGGSEDQ-SJORKVTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957606041 1088453079 /nfs/dbraw/zinc/45/30/79/1088453079.db2.gz WWFOGRABQJFSJZ-QGZVFWFLSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114838193 1088989061 /nfs/dbraw/zinc/98/90/61/1088989061.db2.gz SPRDPVZGJSKGNG-CBZIJGRNSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114838193 1088989074 /nfs/dbraw/zinc/98/90/74/1088989074.db2.gz SPRDPVZGJSKGNG-CBZIJGRNSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001114838193 1088989085 /nfs/dbraw/zinc/98/90/85/1088989085.db2.gz SPRDPVZGJSKGNG-CBZIJGRNSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992317 1089281247 /nfs/dbraw/zinc/28/12/47/1089281247.db2.gz FCVJLCROIIQMIE-CRAIPNDOSA-N 2 1 315.461 2.374 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957745 1090546526 /nfs/dbraw/zinc/54/65/26/1090546526.db2.gz UJJMWSSBANMRRM-SQNIBIBYSA-N 2 1 319.493 2.073 20 30 DEEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001276070851 1091508129 /nfs/dbraw/zinc/50/81/29/1091508129.db2.gz OJNZTSBYRLMBJX-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769729 /nfs/dbraw/zinc/76/97/29/1091769729.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769739 /nfs/dbraw/zinc/76/97/39/1091769739.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001273445295 1091769744 /nfs/dbraw/zinc/76/97/44/1091769744.db2.gz LJOAXWURTIISFX-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674259 1091877698 /nfs/dbraw/zinc/87/76/98/1091877698.db2.gz SMPFBJDXFYJCFG-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001273577777 1091932726 /nfs/dbraw/zinc/93/27/26/1091932726.db2.gz DTVDQURBNZGCAO-IRXDYDNUSA-N 2 1 309.498 2.463 20 30 DEEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001273802302 1092062022 /nfs/dbraw/zinc/06/20/22/1092062022.db2.gz UONNRKWBEDHUGG-KRWDZBQOSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197246 1093243373 /nfs/dbraw/zinc/24/33/73/1093243373.db2.gz WUHXUKRKNZHCQK-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP CCCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277997152 1138393903 /nfs/dbraw/zinc/39/39/03/1138393903.db2.gz ISCBXUJPSKMHRJ-SJORKVTESA-N 2 1 309.498 2.489 20 30 DEEDMP Cn1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645347 /nfs/dbraw/zinc/64/53/47/1138645347.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 2 1 308.429 2.433 20 30 DEEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645361 /nfs/dbraw/zinc/64/53/61/1138645361.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 2 1 308.429 2.433 20 30 DEEDMP Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237467829 1138645376 /nfs/dbraw/zinc/64/53/76/1138645376.db2.gz TXOAJHMOPNBWEV-CVEARBPZSA-N 2 1 308.429 2.433 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001318804824 1140424300 /nfs/dbraw/zinc/42/43/00/1140424300.db2.gz KVWRQEYQTLGHHB-QZTJIDSGSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319918222 1140803466 /nfs/dbraw/zinc/80/34/66/1140803466.db2.gz ODXBDNQMFNBITQ-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319918222 1140803469 /nfs/dbraw/zinc/80/34/69/1140803469.db2.gz ODXBDNQMFNBITQ-IRXDYDNUSA-N 2 1 321.509 2.251 20 30 DEEDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC001246361464 1140888218 /nfs/dbraw/zinc/88/82/18/1140888218.db2.gz LLPAYMWSCVQWCU-BEFAXECRSA-N 2 1 312.461 2.253 20 30 DEEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246525576 1140934605 /nfs/dbraw/zinc/93/46/05/1140934605.db2.gz JSROVSQKUQFDEO-UHFFFAOYSA-N 2 1 321.465 2.239 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001278460351 1141026819 /nfs/dbraw/zinc/02/68/19/1141026819.db2.gz RGWOMFZYWBXEDJ-MJGOQNOKSA-N 2 1 319.493 2.408 20 30 DEEDMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001278673807 1142775027 /nfs/dbraw/zinc/77/50/27/1142775027.db2.gz VWIUQVXCRNOPFH-SJORKVTESA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690355 1142835546 /nfs/dbraw/zinc/83/55/46/1142835546.db2.gz PSENXSLURHWZTK-CVEARBPZSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254522562 1143207950 /nfs/dbraw/zinc/20/79/50/1143207950.db2.gz ORXHYADGVPGDBK-BZSNNMDCSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254522562 1143207967 /nfs/dbraw/zinc/20/79/67/1143207967.db2.gz ORXHYADGVPGDBK-BZSNNMDCSA-N 2 1 308.466 2.297 20 30 DEEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254522562 1143207990 /nfs/dbraw/zinc/20/79/90/1143207990.db2.gz ORXHYADGVPGDBK-BZSNNMDCSA-N 2 1 308.466 2.297 20 30 DEEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664136 1143304933 /nfs/dbraw/zinc/30/49/33/1143304933.db2.gz UKWQGJOYANCKID-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664136 1143304938 /nfs/dbraw/zinc/30/49/38/1143304938.db2.gz UKWQGJOYANCKID-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC001254664136 1143304947 /nfs/dbraw/zinc/30/49/47/1143304947.db2.gz UKWQGJOYANCKID-WJFTUGDTSA-N 2 1 317.477 2.359 20 30 DEEDMP N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001254664783 1143307712 /nfs/dbraw/zinc/30/77/12/1143307712.db2.gz XJGXNWFZWOYGCQ-JKSUJKDBSA-N 2 1 313.449 2.029 20 30 DEEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341805040 1143714417 /nfs/dbraw/zinc/71/44/17/1143714417.db2.gz HPGZFIQBQWUJSE-ZWKOTPCHSA-N 2 1 315.461 2.403 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCCC)C1 ZINC001265584710 1144714979 /nfs/dbraw/zinc/71/49/79/1144714979.db2.gz SWMYMABBJMTASC-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCCC)C1 ZINC001265584710 1144714983 /nfs/dbraw/zinc/71/49/83/1144714983.db2.gz SWMYMABBJMTASC-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCC)C1 ZINC001265584710 1144714986 /nfs/dbraw/zinc/71/49/86/1144714986.db2.gz SWMYMABBJMTASC-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCCC)C1 ZINC001265584710 1144714988 /nfs/dbraw/zinc/71/49/88/1144714988.db2.gz SWMYMABBJMTASC-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265940096 1144764076 /nfs/dbraw/zinc/76/40/76/1144764076.db2.gz KHAWCOGRYVAQGH-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001279654746 1144826813 /nfs/dbraw/zinc/82/68/13/1144826813.db2.gz YBROQBVVHNTOOX-MRXNPFEDSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001279704306 1144827440 /nfs/dbraw/zinc/82/74/40/1144827440.db2.gz SVBBYUCKGBJEFN-KRWDZBQOSA-N 2 1 319.424 2.202 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001316601188 1144831478 /nfs/dbraw/zinc/83/14/78/1144831478.db2.gz NWEKHMNAQOHCHJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001316601188 1144831479 /nfs/dbraw/zinc/83/14/79/1144831479.db2.gz NWEKHMNAQOHCHJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001316601188 1144831481 /nfs/dbraw/zinc/83/14/81/1144831481.db2.gz NWEKHMNAQOHCHJ-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001280769715 1144854158 /nfs/dbraw/zinc/85/41/58/1144854158.db2.gz KFGOQXXMSOFJPW-HNNXBMFYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316614070 1144913345 /nfs/dbraw/zinc/91/33/45/1144913345.db2.gz CVTBXSKQSPSXBO-DMRKSPOLSA-N 2 1 307.482 2.166 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001281872209 1144917319 /nfs/dbraw/zinc/91/73/19/1144917319.db2.gz ORZYAFKEFLKFJM-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001282860887 1145180411 /nfs/dbraw/zinc/18/04/11/1145180411.db2.gz KEULSLMXJLCTTG-DDBAPUKQSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001282860887 1145180418 /nfs/dbraw/zinc/18/04/18/1145180418.db2.gz KEULSLMXJLCTTG-DDBAPUKQSA-N 2 1 319.493 2.119 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001282860887 1145180421 /nfs/dbraw/zinc/18/04/21/1145180421.db2.gz KEULSLMXJLCTTG-DDBAPUKQSA-N 2 1 319.493 2.119 20 30 DEEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001283331748 1145366170 /nfs/dbraw/zinc/36/61/70/1145366170.db2.gz HCFUAFHYUBNDAT-QGZVFWFLSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001283340038 1145368937 /nfs/dbraw/zinc/36/89/37/1145368937.db2.gz FFGLGJQICMSLST-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001283340038 1145368941 /nfs/dbraw/zinc/36/89/41/1145368941.db2.gz FFGLGJQICMSLST-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[C@@H](C)[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001283340038 1145368943 /nfs/dbraw/zinc/36/89/43/1145368943.db2.gz FFGLGJQICMSLST-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001284605586 1145878337 /nfs/dbraw/zinc/87/83/37/1145878337.db2.gz YQQWKXFEXQNMNR-SJORKVTESA-N 2 1 321.509 2.251 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491955810 1147017584 /nfs/dbraw/zinc/01/75/84/1147017584.db2.gz WRSFWOCHTOWCQO-KRWDZBQOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491955811 1147019294 /nfs/dbraw/zinc/01/92/94/1147019294.db2.gz WRSFWOCHTOWCQO-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316773875 1147596832 /nfs/dbraw/zinc/59/68/32/1147596832.db2.gz YKODSFOUUGLKNM-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001316997091 1147646577 /nfs/dbraw/zinc/64/65/77/1147646577.db2.gz BZAVEIJITNDERV-INIZCTEOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001317048105 1147653105 /nfs/dbraw/zinc/65/31/05/1147653105.db2.gz FGQJOYIWGSCLRH-BBWFWOEESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317173374 1147670894 /nfs/dbraw/zinc/67/08/94/1147670894.db2.gz KYYNZKKLUDXZGK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317173374 1147670896 /nfs/dbraw/zinc/67/08/96/1147670896.db2.gz KYYNZKKLUDXZGK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317173374 1147670898 /nfs/dbraw/zinc/67/08/98/1147670898.db2.gz KYYNZKKLUDXZGK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317173374 1147670900 /nfs/dbraw/zinc/67/09/00/1147670900.db2.gz KYYNZKKLUDXZGK-IRXDYDNUSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317201945 1147675805 /nfs/dbraw/zinc/67/58/05/1147675805.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201945 1147675807 /nfs/dbraw/zinc/67/58/07/1147675807.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317201945 1147675809 /nfs/dbraw/zinc/67/58/09/1147675809.db2.gz DPQROPZZXKZDNU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317406416 1147702358 /nfs/dbraw/zinc/70/23/58/1147702358.db2.gz SETGAIVKHBMDSP-PBHICJAKSA-N 2 1 313.461 2.259 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317781413 1147751635 /nfs/dbraw/zinc/75/16/35/1147751635.db2.gz CSNQSAAAHGUDAD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317781413 1147751637 /nfs/dbraw/zinc/75/16/37/1147751637.db2.gz CSNQSAAAHGUDAD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317781413 1147751639 /nfs/dbraw/zinc/75/16/39/1147751639.db2.gz CSNQSAAAHGUDAD-IRXDYDNUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001318025140 1147766273 /nfs/dbraw/zinc/76/62/73/1147766273.db2.gz UATDMDARYWMKAZ-HNNXBMFYSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001318204533 1147796221 /nfs/dbraw/zinc/79/62/21/1147796221.db2.gz OAVBPYIOPYWJHS-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C2 ZINC001325642024 1147973688 /nfs/dbraw/zinc/97/36/88/1147973688.db2.gz DTBWTKATYOISGJ-BCDXTJNWSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001326290190 1148070230 /nfs/dbraw/zinc/07/02/30/1148070230.db2.gz UNUNQUMSESFHEJ-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000092587207 185327311 /nfs/dbraw/zinc/32/73/11/185327311.db2.gz ZXXXZXCDQRYKPT-GASCZTMLSA-N 2 1 317.433 2.472 20 30 DEEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)o3)CC2)C[C@H](C)O1 ZINC000092587207 185327312 /nfs/dbraw/zinc/32/73/12/185327312.db2.gz ZXXXZXCDQRYKPT-GASCZTMLSA-N 2 1 317.433 2.472 20 30 DEEDMP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)c(-c2ccc(C#N)cc2)n1 ZINC000614284962 362338175 /nfs/dbraw/zinc/33/81/75/362338175.db2.gz RPQZMDKQLWYQDO-UHFFFAOYSA-N 2 1 320.400 2.025 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000068084843 354795399 /nfs/dbraw/zinc/79/53/99/354795399.db2.gz IRKRZRIJYUVEHY-QGZVFWFLSA-N 2 1 319.493 2.102 20 30 DEEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000180997747 199238648 /nfs/dbraw/zinc/23/86/48/199238648.db2.gz BWJAKUGNNFSKDU-HXUWFJFHSA-N 2 1 321.424 2.415 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000598724295 359306832 /nfs/dbraw/zinc/30/68/32/359306832.db2.gz NTXDSYJMGBDXAA-ROUUACIJSA-N 2 1 315.461 2.399 20 30 DEEDMP Cc1cc(N2CCC([NH2+]Cc3cccc(C#N)n3)CC2)nc(C)[nH+]1 ZINC000602586407 360445517 /nfs/dbraw/zinc/44/55/17/360445517.db2.gz BKWQZXJBHGTUBK-UHFFFAOYSA-N 2 1 322.416 2.119 20 30 DEEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110628 360704814 /nfs/dbraw/zinc/70/48/14/360704814.db2.gz NGCROGOUOODXKQ-QGZVFWFLSA-N 2 1 322.497 2.192 20 30 DEEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000606371266 361000216 /nfs/dbraw/zinc/00/02/16/361000216.db2.gz FZSGXOJGHJRDME-IRXDYDNUSA-N 2 1 307.482 2.286 20 30 DEEDMP C=C(C)COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000678343567 541715739 /nfs/dbraw/zinc/71/57/39/541715739.db2.gz VOWYQCFLQPKPMO-IYBDPMFKSA-N 2 1 302.418 2.301 20 30 DEEDMP C=C(C)COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000678343567 541715741 /nfs/dbraw/zinc/71/57/41/541715741.db2.gz VOWYQCFLQPKPMO-IYBDPMFKSA-N 2 1 302.418 2.301 20 30 DEEDMP COCC#CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000678464403 541733030 /nfs/dbraw/zinc/73/30/30/541733030.db2.gz DRAOCNKDLKEEPF-UHFFFAOYSA-N 2 1 301.434 2.270 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)CC1 ZINC000458314580 248259817 /nfs/dbraw/zinc/25/98/17/248259817.db2.gz FAWFCZZWZVBXFB-KRWDZBQOSA-N 2 1 322.497 2.153 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000106263482 194192567 /nfs/dbraw/zinc/19/25/67/194192567.db2.gz QLELFPJYIJOBMN-MRXNPFEDSA-N 2 1 322.497 2.058 20 30 DEEDMP Fc1ccc(C#CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000156193895 197094052 /nfs/dbraw/zinc/09/40/52/197094052.db2.gz DRRFQENKABPXFZ-UHFFFAOYSA-N 2 1 316.420 2.221 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000106323221 402213345 /nfs/dbraw/zinc/21/33/45/402213345.db2.gz IEZHXKDEUGEYQU-INIZCTEOSA-N 2 1 322.497 2.058 20 30 DEEDMP Cn1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000190726289 402620572 /nfs/dbraw/zinc/62/05/72/402620572.db2.gz GFGANNSWINDTGG-UHFFFAOYSA-N 2 1 308.429 2.435 20 30 DEEDMP Cn1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000190726289 402620573 /nfs/dbraw/zinc/62/05/73/402620573.db2.gz GFGANNSWINDTGG-UHFFFAOYSA-N 2 1 308.429 2.435 20 30 DEEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264144735 402851200 /nfs/dbraw/zinc/85/12/00/402851200.db2.gz XOKKGXDGBNYQLS-MRXNPFEDSA-N 2 1 316.449 2.313 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346847614 403605526 /nfs/dbraw/zinc/60/55/26/403605526.db2.gz DJDRWVYJVZQQFJ-JYJNAYRXSA-N 2 1 302.418 2.429 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850886 403959623 /nfs/dbraw/zinc/95/96/23/403959623.db2.gz KFBDEGSEDWEKRO-SOUVJXGZSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850886 403959626 /nfs/dbraw/zinc/95/96/26/403959626.db2.gz KFBDEGSEDWEKRO-SOUVJXGZSA-N 2 1 321.490 2.320 20 30 DEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104566 404728047 /nfs/dbraw/zinc/72/80/47/404728047.db2.gz LVTMORQBYVSTAQ-JKSUJKDBSA-N 2 1 302.418 2.301 20 30 DEEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104566 404728050 /nfs/dbraw/zinc/72/80/50/404728050.db2.gz LVTMORQBYVSTAQ-JKSUJKDBSA-N 2 1 302.418 2.301 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366230926 404776670 /nfs/dbraw/zinc/77/66/70/404776670.db2.gz CWKLPXXEEKBQMH-VDZJLULYSA-N 2 1 314.429 2.212 20 30 DEEDMP C#CCOc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366230926 404776671 /nfs/dbraw/zinc/77/66/71/404776671.db2.gz CWKLPXXEEKBQMH-VDZJLULYSA-N 2 1 314.429 2.212 20 30 DEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000353388041 404819883 /nfs/dbraw/zinc/81/98/83/404819883.db2.gz POBSHVTWCVEIIT-MJGOQNOKSA-N 2 1 313.445 2.372 20 30 DEEDMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353427811 404828692 /nfs/dbraw/zinc/82/86/92/404828692.db2.gz PFDOHIDAYIEEKE-IBGZPJMESA-N 2 1 312.461 2.163 20 30 DEEDMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1Cl ZINC000424132963 405016740 /nfs/dbraw/zinc/01/67/40/405016740.db2.gz IQSLZAPPRNLTMG-LSDHHAIUSA-N 2 1 322.840 2.080 20 30 DEEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(C)(C)C#N)CC2)CC1 ZINC000420972995 405417886 /nfs/dbraw/zinc/41/78/86/405417886.db2.gz BSTOUVWTPCDWQB-UHFFFAOYSA-N 2 1 306.498 2.418 20 30 DEEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000489424611 406404949 /nfs/dbraw/zinc/40/49/49/406404949.db2.gz KJSRYCRTWXDQGQ-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000489424611 406404951 /nfs/dbraw/zinc/40/49/51/406404951.db2.gz KJSRYCRTWXDQGQ-QZTJIDSGSA-N 2 1 315.461 2.446 20 30 DEEDMP C#CC[NH+]1CCC(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000491771953 406710308 /nfs/dbraw/zinc/71/03/08/406710308.db2.gz RWVLYMWWPUMFPD-QGZVFWFLSA-N 2 1 306.450 2.138 20 30 DEEDMP C[NH+](C)[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCSC1 ZINC000262477205 225273128 /nfs/dbraw/zinc/27/31/28/225273128.db2.gz QMLUXZINWAVZPB-KRWDZBQOSA-N 2 1 318.490 2.339 20 30 DEEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)N1 ZINC000262680328 225281996 /nfs/dbraw/zinc/28/19/96/225281996.db2.gz VTJHDCQHYCIUJY-HCKVZZMMSA-N 2 1 324.831 2.409 20 30 DEEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+](C)C ZINC000264108356 225305165 /nfs/dbraw/zinc/30/51/65/225305165.db2.gz PZCOKTRWBZDHMF-SECBINFHSA-N 2 1 304.316 2.262 20 30 DEEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C(C)C ZINC000654781607 425440728 /nfs/dbraw/zinc/44/07/28/425440728.db2.gz KIGHVHARQPKJNS-DLBZAZTESA-N 2 1 307.482 2.141 20 30 DEEDMP C=CC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662682178 425713037 /nfs/dbraw/zinc/71/30/37/425713037.db2.gz HPPZTJSCXNVUBC-FUHWJXTLSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001378456186 1152336856 /nfs/dbraw/zinc/33/68/56/1152336856.db2.gz WKZCYEXQAQLTSL-HDJSIYSDSA-N 2 1 301.862 2.096 20 30 DEEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329938827 1149019635 /nfs/dbraw/zinc/01/96/35/1149019635.db2.gz RQLQIEXXWHLSPB-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCC1 ZINC001378712261 1152421124 /nfs/dbraw/zinc/42/11/24/1152421124.db2.gz DOCFOVWGPZMECQ-UHFFFAOYSA-N 2 1 301.862 2.099 20 30 DEEDMP C[NH+]=C(NCCC[N@@H+](C)Cc1ccccc1)NCc1ccco1 ZINC000264059200 526354157 /nfs/dbraw/zinc/35/41/57/526354157.db2.gz OWVYLTFJGRXMLT-UHFFFAOYSA-N 2 1 314.433 2.467 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000294859773 526826676 /nfs/dbraw/zinc/82/66/76/526826676.db2.gz BXLBALPQQDUFPE-HNNXBMFYSA-N 2 1 304.434 2.180 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000294859773 526826685 /nfs/dbraw/zinc/82/66/85/526826685.db2.gz BXLBALPQQDUFPE-HNNXBMFYSA-N 2 1 304.434 2.180 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000294908979 526827696 /nfs/dbraw/zinc/82/76/96/526827696.db2.gz GBZDFCOUNOGSNQ-HNNXBMFYSA-N 2 1 304.434 2.447 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000294908979 526827699 /nfs/dbraw/zinc/82/76/99/526827699.db2.gz GBZDFCOUNOGSNQ-HNNXBMFYSA-N 2 1 304.434 2.447 20 30 DEEDMP CCN(CC)C(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000104154158 527982454 /nfs/dbraw/zinc/98/24/54/527982454.db2.gz HUPGFRFKNXWLLO-QGZVFWFLSA-N 2 1 318.465 2.489 20 30 DEEDMP CCOCc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000264073630 529063301 /nfs/dbraw/zinc/06/33/01/529063301.db2.gz DXSMYRWUBZIVHY-QGZVFWFLSA-N 2 1 318.465 2.112 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264162718 529070440 /nfs/dbraw/zinc/07/04/40/529070440.db2.gz BKZQHPWUEARQQL-OFLPRAFFSA-N 2 1 300.450 2.321 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001026572036 625531800 /nfs/dbraw/zinc/53/18/00/625531800.db2.gz ZJZZKRWNLTXYEH-JCYILVPMSA-N 2 1 307.482 2.452 20 30 DEEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969832316 622942562 /nfs/dbraw/zinc/94/25/62/622942562.db2.gz GKIPBJXHQLXQDB-PBHICJAKSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970319075 623400623 /nfs/dbraw/zinc/40/06/23/623400623.db2.gz RBKLFILCNGYYEQ-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082221 624194429 /nfs/dbraw/zinc/19/44/29/624194429.db2.gz XPUQLZBLRCXDLP-OAGGEKHMSA-N 2 1 305.466 2.064 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000971641040 624467289 /nfs/dbraw/zinc/46/72/89/624467289.db2.gz KSVSYLXCBUZQJH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000971641040 624467290 /nfs/dbraw/zinc/46/72/90/624467290.db2.gz KSVSYLXCBUZQJH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000971641040 624467292 /nfs/dbraw/zinc/46/72/92/624467292.db2.gz KSVSYLXCBUZQJH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC000971641040 624467293 /nfs/dbraw/zinc/46/72/93/624467293.db2.gz KSVSYLXCBUZQJH-HUUCEWRRSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001022585227 624761593 /nfs/dbraw/zinc/76/15/93/624761593.db2.gz LPFZXSFOSHZWSO-SOUVJXGZSA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947506889 624927954 /nfs/dbraw/zinc/92/79/54/624927954.db2.gz UDJIOKRTTQGBJY-GDBMZVCRSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001022806872 624937499 /nfs/dbraw/zinc/93/74/99/624937499.db2.gz COWGILAESLZFBS-QLFBSQMISA-N 2 1 313.873 2.239 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccn32)C[C@@H]1C ZINC000947539651 625152676 /nfs/dbraw/zinc/15/26/76/625152676.db2.gz FGBFPQLUZNVFSD-LSDHHAIUSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007785303 625172898 /nfs/dbraw/zinc/17/28/98/625172898.db2.gz DLLCIQBVKRKWSA-INIZCTEOSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436421 625762844 /nfs/dbraw/zinc/76/28/44/625762844.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436421 625762846 /nfs/dbraw/zinc/76/28/46/625762846.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436421 625762850 /nfs/dbraw/zinc/76/28/50/625762850.db2.gz CVUBSWDMPQRPKY-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615679 625935875 /nfs/dbraw/zinc/93/58/75/625935875.db2.gz YVUIPMPPDHKLTL-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615679 625935877 /nfs/dbraw/zinc/93/58/77/625935877.db2.gz YVUIPMPPDHKLTL-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615679 625935884 /nfs/dbraw/zinc/93/58/84/625935884.db2.gz YVUIPMPPDHKLTL-ZWKOTPCHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000999574269 634634532 /nfs/dbraw/zinc/63/45/32/634634532.db2.gz MRXSLIWGUMFJEI-SJORKVTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999875933 634697929 /nfs/dbraw/zinc/69/79/29/634697929.db2.gz FEXLXJNNDNTXHM-NRXISQOPSA-N 2 1 313.873 2.192 20 30 DEEDMP C=CC[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995906619 633134185 /nfs/dbraw/zinc/13/41/85/633134185.db2.gz SAKQGFXCEURTIX-CVEARBPZSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974660759 633205851 /nfs/dbraw/zinc/20/58/51/633205851.db2.gz WACIEURZFRANGY-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996168689 633206163 /nfs/dbraw/zinc/20/61/63/633206163.db2.gz KQPRXIFCCCUVKC-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729384 633269603 /nfs/dbraw/zinc/26/96/03/633269603.db2.gz LUWUGWBBGOMCSJ-INIZCTEOSA-N 2 1 319.493 2.265 20 30 DEEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1(C)C ZINC000996507595 633269693 /nfs/dbraw/zinc/26/96/93/633269693.db2.gz QFKXUMCZNDGXGV-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974762512 633295782 /nfs/dbraw/zinc/29/57/82/633295782.db2.gz ZTVRPSMOKBKNRO-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762512 633295791 /nfs/dbraw/zinc/29/57/91/633295791.db2.gz ZTVRPSMOKBKNRO-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974762512 633295795 /nfs/dbraw/zinc/29/57/95/633295795.db2.gz ZTVRPSMOKBKNRO-HZPDHXFCSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996667869 633339545 /nfs/dbraw/zinc/33/95/45/633339545.db2.gz FSVABWYEPFXZHG-KRWDZBQOSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974996966 633384222 /nfs/dbraw/zinc/38/42/22/633384222.db2.gz PRLYIXGSZBOITN-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997098052 633575504 /nfs/dbraw/zinc/57/55/04/633575504.db2.gz PESCRCRBGLXEOP-BFYDXBDKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997179480 633665302 /nfs/dbraw/zinc/66/53/02/633665302.db2.gz BAZNPTLCIRRYAH-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541623 634060899 /nfs/dbraw/zinc/06/08/99/634060899.db2.gz WGWTVBRDAQWTOH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541623 634060904 /nfs/dbraw/zinc/06/09/04/634060904.db2.gz WGWTVBRDAQWTOH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541623 634060912 /nfs/dbraw/zinc/06/09/12/634060912.db2.gz WGWTVBRDAQWTOH-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997951658 634074113 /nfs/dbraw/zinc/07/41/13/634074113.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997951658 634074121 /nfs/dbraw/zinc/07/41/21/634074121.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997951658 634074124 /nfs/dbraw/zinc/07/41/24/634074124.db2.gz YNNNYQYAYOQNQS-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980189462 634884980 /nfs/dbraw/zinc/88/49/80/634884980.db2.gz WVSLRGGTQBJKCL-BZSNNMDCSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001000335732 635146762 /nfs/dbraw/zinc/14/67/62/635146762.db2.gz CVNOSENWLBGJON-OAHLLOKOSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985569 635168970 /nfs/dbraw/zinc/16/89/70/635168970.db2.gz LDGQVPJTZAUAEP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027985569 635168972 /nfs/dbraw/zinc/16/89/72/635168972.db2.gz LDGQVPJTZAUAEP-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000671462 635271936 /nfs/dbraw/zinc/27/19/36/635271936.db2.gz HIQFTLPYPQGKCC-DLBZAZTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000767244 635290145 /nfs/dbraw/zinc/29/01/45/635290145.db2.gz MYAGAWANRFQXHI-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767244 635290150 /nfs/dbraw/zinc/29/01/50/635290150.db2.gz MYAGAWANRFQXHI-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767244 635290153 /nfs/dbraw/zinc/29/01/53/635290153.db2.gz MYAGAWANRFQXHI-SFHVURJKSA-N 2 1 319.493 2.289 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001001007960 635377427 /nfs/dbraw/zinc/37/74/27/635377427.db2.gz UYJULASZJJCSLL-ROUUACIJSA-N 2 1 315.461 2.446 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981428506 635475709 /nfs/dbraw/zinc/47/57/09/635475709.db2.gz YLPXEAFZPKGJAD-UHFFFAOYSA-N 2 1 319.493 2.363 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438170 635483229 /nfs/dbraw/zinc/48/32/29/635483229.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000981438170 635483232 /nfs/dbraw/zinc/48/32/32/635483232.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438170 635483234 /nfs/dbraw/zinc/48/32/34/635483234.db2.gz KGVMEFNZMRLUIE-IRXDYDNUSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001523348 635521698 /nfs/dbraw/zinc/52/16/98/635521698.db2.gz RVMLGSWQVXVWQX-ZWKOTPCHSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768091 635637047 /nfs/dbraw/zinc/63/70/47/635637047.db2.gz DRZGVDHPHASEJD-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981809224 635665496 /nfs/dbraw/zinc/66/54/96/635665496.db2.gz AFBOPTJQGGLQOM-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981809224 635665498 /nfs/dbraw/zinc/66/54/98/635665498.db2.gz AFBOPTJQGGLQOM-KRWDZBQOSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981837043 635680131 /nfs/dbraw/zinc/68/01/31/635680131.db2.gz OPPQANJZQGSUDI-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000981837043 635680135 /nfs/dbraw/zinc/68/01/35/635680135.db2.gz OPPQANJZQGSUDI-UHFFFAOYSA-N 2 1 319.449 2.455 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930313 635735842 /nfs/dbraw/zinc/73/58/42/635735842.db2.gz JZURXGANIGPQBF-UHFFFAOYSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002792431 635799242 /nfs/dbraw/zinc/79/92/42/635799242.db2.gz NGUKLLFYDWBHCM-OAHLLOKOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002792431 635799249 /nfs/dbraw/zinc/79/92/49/635799249.db2.gz NGUKLLFYDWBHCM-OAHLLOKOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000982086668 635856642 /nfs/dbraw/zinc/85/66/42/635856642.db2.gz NGSZCLLRTISRCH-UHFFFAOYSA-N 2 1 307.482 2.219 20 30 DEEDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc(C#N)cc1F ZINC000925844700 635926552 /nfs/dbraw/zinc/92/65/52/635926552.db2.gz LQYXUTQEHBEDJP-OAHLLOKOSA-N 2 1 318.440 2.423 20 30 DEEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947360496 635944410 /nfs/dbraw/zinc/94/44/10/635944410.db2.gz FWUKWEZDDRYJMT-UKRRQHHQSA-N 2 1 319.474 2.026 20 30 DEEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003481998 635978062 /nfs/dbraw/zinc/97/80/62/635978062.db2.gz PQJPDYKGORDPNR-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000922212501 636005189 /nfs/dbraw/zinc/00/51/89/636005189.db2.gz RRALSSYWASRDEV-UHFFFAOYSA-N 2 1 301.434 2.112 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003941338 636090087 /nfs/dbraw/zinc/09/00/87/636090087.db2.gz YUDMMYPFYXTIIQ-QGZVFWFLSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947774534 636122248 /nfs/dbraw/zinc/12/22/48/636122248.db2.gz BAUBDLWHLMZFES-DOTOQJQBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947774859 636135158 /nfs/dbraw/zinc/13/51/58/636135158.db2.gz HVTZOXKRFAQROU-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)C2 ZINC000922388924 636142242 /nfs/dbraw/zinc/14/22/42/636142242.db2.gz RWRTYMSWUJRIJD-WCXIOVBPSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595335 636475595 /nfs/dbraw/zinc/47/55/95/636475595.db2.gz XZFRGNACSZGVHW-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595335 636475597 /nfs/dbraw/zinc/47/55/97/636475597.db2.gz XZFRGNACSZGVHW-HOTGVXAUSA-N 2 1 316.449 2.165 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661552 636572686 /nfs/dbraw/zinc/57/26/86/636572686.db2.gz LXVSDVVOZLWUHL-OAHLLOKOSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902663 637189400 /nfs/dbraw/zinc/18/94/00/637189400.db2.gz UNINZRKHNCOZRQ-TVFCKZIOSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000923508565 637222178 /nfs/dbraw/zinc/22/21/78/637222178.db2.gz XDKXJHQJZQUSBJ-INIZCTEOSA-N 2 1 317.481 2.456 20 30 DEEDMP C#CC[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000895811761 638209951 /nfs/dbraw/zinc/20/99/51/638209951.db2.gz UNFMXIXRJDZLEY-UHFFFAOYSA-N 2 1 310.357 2.074 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000985459071 639436384 /nfs/dbraw/zinc/43/63/84/639436384.db2.gz GYCIADQKVVKHTP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000985459071 639436386 /nfs/dbraw/zinc/43/63/86/639436386.db2.gz GYCIADQKVVKHTP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000985459071 639436388 /nfs/dbraw/zinc/43/63/88/639436388.db2.gz GYCIADQKVVKHTP-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000985479731 639455270 /nfs/dbraw/zinc/45/52/70/639455270.db2.gz DOJBWDZHIOJIQY-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000985479731 639455272 /nfs/dbraw/zinc/45/52/72/639455272.db2.gz DOJBWDZHIOJIQY-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[NH+](C)C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000985479731 639455273 /nfs/dbraw/zinc/45/52/73/639455273.db2.gz DOJBWDZHIOJIQY-INIZCTEOSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000985646067 639558543 /nfs/dbraw/zinc/55/85/43/639558543.db2.gz GWQJDAHEUYVYDY-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000985646067 639558548 /nfs/dbraw/zinc/55/85/48/639558548.db2.gz GWQJDAHEUYVYDY-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000985646067 639558556 /nfs/dbraw/zinc/55/85/56/639558556.db2.gz GWQJDAHEUYVYDY-AWEZNQCLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743371 641217647 /nfs/dbraw/zinc/21/76/47/641217647.db2.gz MOLJGYKZKVPSCT-SFHVURJKSA-N 2 1 315.461 2.400 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743371 641217649 /nfs/dbraw/zinc/21/76/49/641217649.db2.gz MOLJGYKZKVPSCT-SFHVURJKSA-N 2 1 315.461 2.400 20 30 DEEDMP C#CCCCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000773302208 641755339 /nfs/dbraw/zinc/75/53/39/641755339.db2.gz KVZIFURDKQIHNQ-KRWDZBQOSA-N 2 1 307.482 2.055 20 30 DEEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764184 641962195 /nfs/dbraw/zinc/96/21/95/641962195.db2.gz PNIFWPHIXQFNLR-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764184 641962201 /nfs/dbraw/zinc/96/22/01/641962201.db2.gz PNIFWPHIXQFNLR-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990764184 641962204 /nfs/dbraw/zinc/96/22/04/641962204.db2.gz PNIFWPHIXQFNLR-MJQMVNBJSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792884 642095399 /nfs/dbraw/zinc/09/53/99/642095399.db2.gz WHIGLMIQJDRRAO-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792884 642095402 /nfs/dbraw/zinc/09/54/02/642095402.db2.gz WHIGLMIQJDRRAO-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792884 642095408 /nfs/dbraw/zinc/09/54/08/642095408.db2.gz WHIGLMIQJDRRAO-CBZIJGRNSA-N 2 1 305.466 2.016 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000908286266 644810832 /nfs/dbraw/zinc/81/08/32/644810832.db2.gz QWKHZYHBIUDWAS-UHFFFAOYSA-N 2 1 316.449 2.114 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992432243 646998238 /nfs/dbraw/zinc/99/82/38/646998238.db2.gz PYICTJJDCUFTCC-WMZOPIPTSA-N 2 1 316.449 2.042 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535333 647692426 /nfs/dbraw/zinc/69/24/26/647692426.db2.gz JDAVXNCCZUPCPD-PBHICJAKSA-N 2 1 312.417 2.493 20 30 DEEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940737358 648935446 /nfs/dbraw/zinc/93/54/46/648935446.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737358 648935448 /nfs/dbraw/zinc/93/54/48/648935448.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940737358 648935449 /nfs/dbraw/zinc/93/54/49/648935449.db2.gz NXLDKYLNNDOCRG-JKSUJKDBSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842951 648955584 /nfs/dbraw/zinc/95/55/84/648955584.db2.gz TUSKXVQCAWHMLT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842951 648955586 /nfs/dbraw/zinc/95/55/86/648955586.db2.gz TUSKXVQCAWHMLT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842951 648955588 /nfs/dbraw/zinc/95/55/88/648955588.db2.gz TUSKXVQCAWHMLT-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945257 648975923 /nfs/dbraw/zinc/97/59/23/648975923.db2.gz ZKIJFZMKNYWUGW-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940994485 648980171 /nfs/dbraw/zinc/98/01/71/648980171.db2.gz WCZKEJZURUPMDF-INIZCTEOSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555228 649246102 /nfs/dbraw/zinc/24/61/02/649246102.db2.gz GRZBPQHMOKXSHU-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943879298 649447621 /nfs/dbraw/zinc/44/76/21/649447621.db2.gz VCLMINQLXCBXEI-NVXWUHKLSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCOCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584202 651953063 /nfs/dbraw/zinc/95/30/63/651953063.db2.gz DYXBBEBRBMGDTQ-GOSISDBHSA-N 2 1 319.449 2.189 20 30 DEEDMP C=CCOCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584202 651953070 /nfs/dbraw/zinc/95/30/70/651953070.db2.gz DYXBBEBRBMGDTQ-GOSISDBHSA-N 2 1 319.449 2.189 20 30 DEEDMP C=CCOCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584202 651953076 /nfs/dbraw/zinc/95/30/76/651953076.db2.gz DYXBBEBRBMGDTQ-GOSISDBHSA-N 2 1 319.449 2.189 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001393078771 1157660351 /nfs/dbraw/zinc/66/03/51/1157660351.db2.gz IEVVMAKVIFMIHZ-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000304749430 685259272 /nfs/dbraw/zinc/25/92/72/685259272.db2.gz HSHKESIADJCPEO-INIZCTEOSA-N 2 1 320.456 2.492 20 30 DEEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000305020839 685264508 /nfs/dbraw/zinc/26/45/08/685264508.db2.gz NVXMLTDOFNVJNZ-AWEZNQCLSA-N 2 1 304.438 2.400 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159801 693866407 /nfs/dbraw/zinc/86/64/07/693866407.db2.gz ODZQCULONLLLPA-SFHVURJKSA-N 2 1 317.477 2.115 20 30 DEEDMP COc1cccc([C@H](CNC(=[NH2+])NC(C)C)[NH+]2CCCC2)c1 ZINC000303782794 685234675 /nfs/dbraw/zinc/23/46/75/685234675.db2.gz NPPSYVCRMACGAX-INIZCTEOSA-N 2 1 304.438 2.145 20 30 DEEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000303878820 685237909 /nfs/dbraw/zinc/23/79/09/685237909.db2.gz GEBOQVOKIRUVJG-UHFFFAOYSA-N 2 1 322.453 2.169 20 30 DEEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(C#N)CC1 ZINC000930062748 694082092 /nfs/dbraw/zinc/08/20/92/694082092.db2.gz YHTBNGHCPXLAOF-NHHFINERSA-N 2 1 305.466 2.500 20 30 DEEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016613882 687664960 /nfs/dbraw/zinc/66/49/60/687664960.db2.gz HWTYLKWBUQGAOX-DLBZAZTESA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017611713 687924664 /nfs/dbraw/zinc/92/46/64/687924664.db2.gz VYAJZCWPYXIWJI-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611713 687924667 /nfs/dbraw/zinc/92/46/67/687924667.db2.gz VYAJZCWPYXIWJI-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611713 687924673 /nfs/dbraw/zinc/92/46/73/687924673.db2.gz VYAJZCWPYXIWJI-OKZBNKHCSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672523 688977580 /nfs/dbraw/zinc/97/75/80/688977580.db2.gz IXJXYXUEYVIZFL-KRWDZBQOSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033144465 689403500 /nfs/dbraw/zinc/40/35/00/689403500.db2.gz XWDQQTJJYYEHHB-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144465 689403504 /nfs/dbraw/zinc/40/35/04/689403504.db2.gz XWDQQTJJYYEHHB-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033144465 689403506 /nfs/dbraw/zinc/40/35/06/689403506.db2.gz XWDQQTJJYYEHHB-DLBZAZTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033350441 689473337 /nfs/dbraw/zinc/47/33/37/689473337.db2.gz BFLQBULGZYDZGR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033350441 689473338 /nfs/dbraw/zinc/47/33/38/689473338.db2.gz BFLQBULGZYDZGR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033350441 689473340 /nfs/dbraw/zinc/47/33/40/689473340.db2.gz BFLQBULGZYDZGR-IAGOWNOFSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033424524 689495724 /nfs/dbraw/zinc/49/57/24/689495724.db2.gz DDLGNHKAJINGRS-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033424524 689495726 /nfs/dbraw/zinc/49/57/26/689495726.db2.gz DDLGNHKAJINGRS-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033424524 689495729 /nfs/dbraw/zinc/49/57/29/689495729.db2.gz DDLGNHKAJINGRS-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001034659455 689920972 /nfs/dbraw/zinc/92/09/72/689920972.db2.gz VAJFLWLZSIPFAN-BRWVUGGUSA-N 2 1 307.482 2.454 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876875742 689960746 /nfs/dbraw/zinc/96/07/46/689960746.db2.gz YYHWHJIBADKTSB-HZPDHXFCSA-N 2 1 321.852 2.189 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035258091 690076181 /nfs/dbraw/zinc/07/61/81/690076181.db2.gz FYKOATMXCFLGCC-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035258091 690076183 /nfs/dbraw/zinc/07/61/83/690076183.db2.gz FYKOATMXCFLGCC-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035258091 690076185 /nfs/dbraw/zinc/07/61/85/690076185.db2.gz FYKOATMXCFLGCC-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742515 690165519 /nfs/dbraw/zinc/16/55/19/690165519.db2.gz ZIDDGGIHRMVJAN-QGZVFWFLSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878533746 690434476 /nfs/dbraw/zinc/43/44/76/690434476.db2.gz RRAJMRJPBTVISY-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878533746 690434481 /nfs/dbraw/zinc/43/44/81/690434481.db2.gz RRAJMRJPBTVISY-UHFFFAOYSA-N 2 1 315.461 2.275 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036853990 690499958 /nfs/dbraw/zinc/49/99/58/690499958.db2.gz CHNBQLIHGPXXMF-ZWKOTPCHSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038355440 690793337 /nfs/dbraw/zinc/79/33/37/690793337.db2.gz ZWQZAAPMXNIRAN-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038355440 690793338 /nfs/dbraw/zinc/79/33/38/690793338.db2.gz ZWQZAAPMXNIRAN-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038355440 690793339 /nfs/dbraw/zinc/79/33/39/690793339.db2.gz ZWQZAAPMXNIRAN-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038863762 690948474 /nfs/dbraw/zinc/94/84/74/690948474.db2.gz NKBFNGROFUNFEJ-KRWDZBQOSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159727 691035452 /nfs/dbraw/zinc/03/54/52/691035452.db2.gz XBIKXAUNSILMME-SJORKVTESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179715 691040799 /nfs/dbraw/zinc/04/07/99/691040799.db2.gz DHSGQBACNLNOFT-ROUUACIJSA-N 2 1 321.509 2.319 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377109 691092121 /nfs/dbraw/zinc/09/21/21/691092121.db2.gz FKCGVFFDYXZBQS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377109 691092124 /nfs/dbraw/zinc/09/21/24/691092124.db2.gz FKCGVFFDYXZBQS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377109 691092126 /nfs/dbraw/zinc/09/21/26/691092126.db2.gz FKCGVFFDYXZBQS-ZJPYXAASSA-N 2 1 319.493 2.358 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241892 /nfs/dbraw/zinc/24/18/92/691241892.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241894 /nfs/dbraw/zinc/24/18/94/691241894.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396977 691241895 /nfs/dbraw/zinc/24/18/95/691241895.db2.gz XLMSIGXEFNGWEQ-PKOBYXMFSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040849266 691292897 /nfs/dbraw/zinc/29/28/97/691292897.db2.gz OQLHVMINYLCXLY-IRXDYDNUSA-N 2 1 319.493 2.075 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041433591 691374833 /nfs/dbraw/zinc/37/48/33/691374833.db2.gz ZVVOXVOJKWZUPW-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433591 691374834 /nfs/dbraw/zinc/37/48/34/691374834.db2.gz ZVVOXVOJKWZUPW-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041433591 691374836 /nfs/dbraw/zinc/37/48/36/691374836.db2.gz ZVVOXVOJKWZUPW-PKOBYXMFSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233039 691542052 /nfs/dbraw/zinc/54/20/52/691542052.db2.gz BXMUSFJHTDJCRD-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233039 691542054 /nfs/dbraw/zinc/54/20/54/691542054.db2.gz BXMUSFJHTDJCRD-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233039 691542055 /nfs/dbraw/zinc/54/20/55/691542055.db2.gz BXMUSFJHTDJCRD-IRXDYDNUSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297555 691560526 /nfs/dbraw/zinc/56/05/26/691560526.db2.gz QMBFOCHVOCYZQS-SJLPKXTDSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438393 691981470 /nfs/dbraw/zinc/98/14/70/691981470.db2.gz RZLNRNCMENOHBP-IRXDYDNUSA-N 2 1 319.493 2.408 20 30 DEEDMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886305617 692050292 /nfs/dbraw/zinc/05/02/92/692050292.db2.gz MIWGBBSJFSWSRN-MRXNPFEDSA-N 2 1 305.466 2.382 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045984708 692069536 /nfs/dbraw/zinc/06/95/36/692069536.db2.gz HFGSROJXVZMROF-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984708 692069541 /nfs/dbraw/zinc/06/95/41/692069541.db2.gz HFGSROJXVZMROF-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045984708 692069543 /nfs/dbraw/zinc/06/95/43/692069543.db2.gz HFGSROJXVZMROF-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(Cl)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001046314245 692149424 /nfs/dbraw/zinc/14/94/24/692149424.db2.gz ABWKSMHAUQZLLB-GOEBONIOSA-N 2 1 313.873 2.192 20 30 DEEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528487 692640092 /nfs/dbraw/zinc/64/00/92/692640092.db2.gz XKAAEVVQPGOIES-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528487 692640095 /nfs/dbraw/zinc/64/00/95/692640095.db2.gz XKAAEVVQPGOIES-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528487 692640098 /nfs/dbraw/zinc/64/00/98/692640098.db2.gz XKAAEVVQPGOIES-UYTYNIKBSA-N 2 1 319.493 2.262 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820545 692704022 /nfs/dbraw/zinc/70/40/22/692704022.db2.gz KRFRDYIKGYOGKT-CALCHBBNSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050546175 693204397 /nfs/dbraw/zinc/20/43/97/693204397.db2.gz WYGSBLUYUXQDBS-QGZVFWFLSA-N 2 1 319.493 2.075 20 30 DEEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000925645598 693315686 /nfs/dbraw/zinc/31/56/86/693315686.db2.gz QVTJNRCODXMYSV-MFNRNEDNSA-N 2 1 314.433 2.373 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001052712523 693600951 /nfs/dbraw/zinc/60/09/51/693600951.db2.gz JPNGEHSCSGJQBQ-ZFWWWQNUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712523 693600953 /nfs/dbraw/zinc/60/09/53/693600953.db2.gz JPNGEHSCSGJQBQ-ZFWWWQNUSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001052712523 693600957 /nfs/dbraw/zinc/60/09/57/693600957.db2.gz JPNGEHSCSGJQBQ-ZFWWWQNUSA-N 2 1 313.873 2.051 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763283 693613899 /nfs/dbraw/zinc/61/38/99/693613899.db2.gz GCQAZEOIHYOIKM-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763281 693614157 /nfs/dbraw/zinc/61/41/57/693614157.db2.gz GCQAZEOIHYOIKM-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052820419 693625635 /nfs/dbraw/zinc/62/56/35/693625635.db2.gz QDGZTUOSYWXVFT-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955330 693655891 /nfs/dbraw/zinc/65/58/91/693655891.db2.gz DAERJEDVUCHZEJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955330 693655893 /nfs/dbraw/zinc/65/58/93/693655893.db2.gz DAERJEDVUCHZEJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955330 693655896 /nfs/dbraw/zinc/65/58/96/693655896.db2.gz DAERJEDVUCHZEJ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001373856412 1157412151 /nfs/dbraw/zinc/41/21/51/1157412151.db2.gz CQOLRSCFCJIQPQ-ZDUSSCGKSA-N 2 1 313.873 2.099 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001568500997 1158399791 /nfs/dbraw/zinc/39/97/91/1158399791.db2.gz BUITUNJXKRXDBD-SJORKVTESA-N 2 1 309.498 2.463 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001376914977 1159844660 /nfs/dbraw/zinc/84/46/60/1159844660.db2.gz VHTUOHNQSSMBLH-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001397230426 1160067736 /nfs/dbraw/zinc/06/77/36/1160067736.db2.gz DFNRNQLHRKUZHV-OAHLLOKOSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001407103653 1164977091 /nfs/dbraw/zinc/97/70/91/1164977091.db2.gz FTDXBOQEKWDQJU-LSDHHAIUSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001408301566 1165573688 /nfs/dbraw/zinc/57/36/88/1165573688.db2.gz KJQRDGHBZZAUDK-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001418078275 1167399000 /nfs/dbraw/zinc/39/90/00/1167399000.db2.gz SMLWJKZIVRPPBO-WKILWMFISA-N 2 1 321.852 2.108 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001418078275 1167399009 /nfs/dbraw/zinc/39/90/09/1167399009.db2.gz SMLWJKZIVRPPBO-WKILWMFISA-N 2 1 321.852 2.108 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001438596071 1180645968 /nfs/dbraw/zinc/64/59/68/1180645968.db2.gz JMNNSURISMUWJM-CQSZACIVSA-N 2 1 313.873 2.242 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001438730888 1180800315 /nfs/dbraw/zinc/80/03/15/1180800315.db2.gz FQBNSBAHEWQOMS-ZFWWWQNUSA-N 2 1 315.889 2.201 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001439418028 1181081592 /nfs/dbraw/zinc/08/15/92/1181081592.db2.gz LARMYZIXHNIWIX-CABCVRRESA-N 2 1 324.856 2.209 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001440535793 1181586114 /nfs/dbraw/zinc/58/61/14/1181586114.db2.gz CACIDHVGAWESSP-UHFFFAOYSA-N 2 1 315.889 2.442 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001440722602 1181654603 /nfs/dbraw/zinc/65/46/03/1181654603.db2.gz RWDURQCMBIUYGO-NVXWUHKLSA-N 2 1 321.852 2.062 20 30 DEEDMP C=C(Cl)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001441034016 1181831685 /nfs/dbraw/zinc/83/16/85/1181831685.db2.gz KBCUHHBLNZLRJY-KBPBESRZSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001445471233 1183881584 /nfs/dbraw/zinc/88/15/84/1183881584.db2.gz URWZANDJMUSDBC-GOSISDBHSA-N 2 1 315.461 2.227 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596274 1149816985 /nfs/dbraw/zinc/81/69/85/1149816985.db2.gz SXOOFMWEAYLCNH-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001370596274 1149816986 /nfs/dbraw/zinc/81/69/86/1149816986.db2.gz SXOOFMWEAYLCNH-CABCVRRESA-N 2 1 313.873 2.004 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001332100678 1149819664 /nfs/dbraw/zinc/81/96/64/1149819664.db2.gz PDOLKQQLXCYCMJ-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001332100678 1149819665 /nfs/dbraw/zinc/81/96/65/1149819665.db2.gz PDOLKQQLXCYCMJ-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001332100678 1149819666 /nfs/dbraw/zinc/81/96/66/1149819666.db2.gz PDOLKQQLXCYCMJ-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001332100678 1149819667 /nfs/dbraw/zinc/81/96/67/1149819667.db2.gz PDOLKQQLXCYCMJ-SOLBZPMBSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106119675 782288319 /nfs/dbraw/zinc/28/83/19/782288319.db2.gz FHLIFYCRSSMRPN-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907813 790298243 /nfs/dbraw/zinc/29/82/43/790298243.db2.gz ZCDLJGVFZFOREZ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907813 790298245 /nfs/dbraw/zinc/29/82/45/790298245.db2.gz ZCDLJGVFZFOREZ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907813 790298247 /nfs/dbraw/zinc/29/82/47/790298247.db2.gz ZCDLJGVFZFOREZ-KRWDZBQOSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248245 782568597 /nfs/dbraw/zinc/56/85/97/782568597.db2.gz LUCOJXDXVDUDIK-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248498 782569922 /nfs/dbraw/zinc/56/99/22/782569922.db2.gz RRBVPVBLSNJMKV-FGTMMUONSA-N 2 1 321.509 2.225 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964032 779575783 /nfs/dbraw/zinc/57/57/83/779575783.db2.gz SNZXCTUSTWVEHA-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964032 779575789 /nfs/dbraw/zinc/57/57/89/779575789.db2.gz SNZXCTUSTWVEHA-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964032 779575796 /nfs/dbraw/zinc/57/57/96/779575796.db2.gz SNZXCTUSTWVEHA-SQNIBIBYSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665108 782840162 /nfs/dbraw/zinc/84/01/62/782840162.db2.gz IKAUUVKOKMSUCP-BRWVUGGUSA-N 2 1 307.482 2.121 20 30 DEEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089401073 783068688 /nfs/dbraw/zinc/06/86/88/783068688.db2.gz OMYCEZMAIOSDMV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401073 783068694 /nfs/dbraw/zinc/06/86/94/783068694.db2.gz OMYCEZMAIOSDMV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089401073 783068699 /nfs/dbraw/zinc/06/86/99/783068699.db2.gz OMYCEZMAIOSDMV-IRXDYDNUSA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765532 783084787 /nfs/dbraw/zinc/08/47/87/783084787.db2.gz IVJQMCIGQUSBJD-PVAVHDDUSA-N 2 1 310.401 2.246 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437319 783135170 /nfs/dbraw/zinc/13/51/70/783135170.db2.gz QNYTWYUVRORXOV-DLBZAZTESA-N 2 1 319.493 2.408 20 30 DEEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493230 783159520 /nfs/dbraw/zinc/15/95/20/783159520.db2.gz UVRFGJOUWAPGNC-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493230 783159523 /nfs/dbraw/zinc/15/95/23/783159523.db2.gz UVRFGJOUWAPGNC-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493230 783159525 /nfs/dbraw/zinc/15/95/25/783159525.db2.gz UVRFGJOUWAPGNC-SJORKVTESA-N 2 1 319.493 2.101 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617375 783190739 /nfs/dbraw/zinc/19/07/39/783190739.db2.gz XXMFUGICZJWSHM-CVEARBPZSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686149 783204691 /nfs/dbraw/zinc/20/46/91/783204691.db2.gz UOQCMIIXHGECJT-HIFRSBDPSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686149 783204696 /nfs/dbraw/zinc/20/46/96/783204696.db2.gz UOQCMIIXHGECJT-HIFRSBDPSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105064213 778319799 /nfs/dbraw/zinc/31/97/99/778319799.db2.gz CTRTVOSIKFFMFJ-IAGOWNOFSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100382998 778788502 /nfs/dbraw/zinc/78/85/02/778788502.db2.gz GXCYLFXICWPCEI-JCYILVPMSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088327402 779960512 /nfs/dbraw/zinc/96/05/12/779960512.db2.gz MTTOKLYVECMMSK-JKSUJKDBSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088327401 779960592 /nfs/dbraw/zinc/96/05/92/779960592.db2.gz MTTOKLYVECMMSK-HZPDHXFCSA-N 2 1 316.449 2.307 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001088426935 780110194 /nfs/dbraw/zinc/11/01/94/780110194.db2.gz JLSFKHGCAKJLPZ-INIZCTEOSA-N 2 1 304.438 2.128 20 30 DEEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335640 780852047 /nfs/dbraw/zinc/85/20/47/780852047.db2.gz NKDQAIZDLZGHDW-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948242488 783389593 /nfs/dbraw/zinc/38/95/93/783389593.db2.gz XFPXYAXSYGUVBX-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000948242488 783389594 /nfs/dbraw/zinc/38/95/94/783389594.db2.gz XFPXYAXSYGUVBX-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000948242488 783389597 /nfs/dbraw/zinc/38/95/97/783389597.db2.gz XFPXYAXSYGUVBX-GJZGRUSLSA-N 2 1 313.873 2.146 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948425022 783461565 /nfs/dbraw/zinc/46/15/65/783461565.db2.gz NBUCPLUMSVVUBV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948425022 783461570 /nfs/dbraw/zinc/46/15/70/783461570.db2.gz NBUCPLUMSVVUBV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948425022 783461575 /nfs/dbraw/zinc/46/15/75/783461575.db2.gz NBUCPLUMSVVUBV-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127675277 783513653 /nfs/dbraw/zinc/51/36/53/783513653.db2.gz PULYBEFACTUAJB-HUUCEWRRSA-N 2 1 306.454 2.457 20 30 DEEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085389483 783666644 /nfs/dbraw/zinc/66/66/44/783666644.db2.gz KOIBZDONDAXSNR-KZNAEPCWSA-N 2 1 319.493 2.291 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967092176 783881178 /nfs/dbraw/zinc/88/11/78/783881178.db2.gz WMENSYSLDFZOSA-DYVFJYSZSA-N 2 1 312.417 2.269 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930304 784225945 /nfs/dbraw/zinc/22/59/45/784225945.db2.gz TVFNXEOARVEJAF-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930304 784225953 /nfs/dbraw/zinc/22/59/53/784225953.db2.gz TVFNXEOARVEJAF-HNNXBMFYSA-N 2 1 316.449 2.260 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331718 784295424 /nfs/dbraw/zinc/29/54/24/784295424.db2.gz QFTMVMJUNFQPSB-JKSUJKDBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968377567 784337887 /nfs/dbraw/zinc/33/78/87/784337887.db2.gz JMKGIFCVLXLGII-DOTOQJQBSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914585 784647142 /nfs/dbraw/zinc/64/71/42/784647142.db2.gz XLMDQZABSHAEGN-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014263 784690487 /nfs/dbraw/zinc/69/04/87/784690487.db2.gz VWAKECJQGGGELS-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000969037987 784700057 /nfs/dbraw/zinc/70/00/57/784700057.db2.gz QVOGHBVHDTXNBF-BZUAXINKSA-N 2 1 316.449 2.070 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007495106 784935230 /nfs/dbraw/zinc/93/52/30/784935230.db2.gz IMHMQWQPSBUWTL-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495106 784935236 /nfs/dbraw/zinc/93/52/36/784935236.db2.gz IMHMQWQPSBUWTL-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007495106 784935242 /nfs/dbraw/zinc/93/52/42/784935242.db2.gz IMHMQWQPSBUWTL-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008052744 785092659 /nfs/dbraw/zinc/09/26/59/785092659.db2.gz OPCKOOMASSXALS-IAGOWNOFSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008064468 785095701 /nfs/dbraw/zinc/09/57/01/785095701.db2.gz VQTIFEHAUCKIBP-ROUUACIJSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008767706 785298293 /nfs/dbraw/zinc/29/82/93/785298293.db2.gz KIKMSRRQUIXJCP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767706 785298300 /nfs/dbraw/zinc/29/83/00/785298300.db2.gz KIKMSRRQUIXJCP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008767706 785298308 /nfs/dbraw/zinc/29/83/08/785298308.db2.gz KIKMSRRQUIXJCP-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109721756 785998682 /nfs/dbraw/zinc/99/86/82/785998682.db2.gz WNFXBHWJUGIWLO-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109721756 785998685 /nfs/dbraw/zinc/99/86/85/785998685.db2.gz WNFXBHWJUGIWLO-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109721756 785998688 /nfs/dbraw/zinc/99/86/88/785998688.db2.gz WNFXBHWJUGIWLO-IKGGRYGDSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858149 786087131 /nfs/dbraw/zinc/08/71/31/786087131.db2.gz WRLWGTIHJMRABG-LTIDMASMSA-N 2 1 307.482 2.260 20 30 DEEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578243 786163517 /nfs/dbraw/zinc/16/35/17/786163517.db2.gz FVEFQGHQHCEFPP-AOIWGVFYSA-N 2 1 319.493 2.123 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001086558572 786231225 /nfs/dbraw/zinc/23/12/25/786231225.db2.gz BXKCPUYGVGSTGI-RBSFLKMASA-N 2 1 313.873 2.098 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001112920801 786297274 /nfs/dbraw/zinc/29/72/74/786297274.db2.gz LBFLSZFPDINHFZ-DLBZAZTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113352875 786546912 /nfs/dbraw/zinc/54/69/12/786546912.db2.gz AYPCPGHROJLEFW-INIZCTEOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129423757 787211143 /nfs/dbraw/zinc/21/11/43/787211143.db2.gz WYMKGWCRTFBMAE-OAHLLOKOSA-N 2 1 304.438 2.213 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026806 787346663 /nfs/dbraw/zinc/34/66/63/787346663.db2.gz HPLDETPMEMOQCZ-CVEARBPZSA-N 2 1 323.481 2.225 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724026806 787346667 /nfs/dbraw/zinc/34/66/67/787346667.db2.gz HPLDETPMEMOQCZ-CVEARBPZSA-N 2 1 323.481 2.225 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001049866760 787741746 /nfs/dbraw/zinc/74/17/46/787741746.db2.gz JHLDTWKCHJCMKS-LMMKCTJWSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001049866760 787741755 /nfs/dbraw/zinc/74/17/55/787741755.db2.gz JHLDTWKCHJCMKS-LMMKCTJWSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001049866760 787741761 /nfs/dbraw/zinc/74/17/61/787741761.db2.gz JHLDTWKCHJCMKS-LMMKCTJWSA-N 2 1 317.477 2.114 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107152 787934566 /nfs/dbraw/zinc/93/45/66/787934566.db2.gz XZNPWFDJCBRJDF-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132107152 787934573 /nfs/dbraw/zinc/93/45/73/787934573.db2.gz XZNPWFDJCBRJDF-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132141214 787946609 /nfs/dbraw/zinc/94/66/09/787946609.db2.gz PRDBQICFLSYNDC-CVEARBPZSA-N 2 1 316.449 2.063 20 30 DEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097101739 787979659 /nfs/dbraw/zinc/97/96/59/787979659.db2.gz XFUPRCGNWXWRAC-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097101739 787979665 /nfs/dbraw/zinc/97/96/65/787979665.db2.gz XFUPRCGNWXWRAC-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001097101739 787979672 /nfs/dbraw/zinc/97/96/72/787979672.db2.gz XFUPRCGNWXWRAC-HHARLNAUSA-N 2 1 305.466 2.014 20 30 DEEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266337 787997681 /nfs/dbraw/zinc/99/76/81/787997681.db2.gz WXMXTCTUXNIYQJ-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)CN1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409979 788063534 /nfs/dbraw/zinc/06/35/34/788063534.db2.gz IAYWAFLXARGOLR-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549728 788126866 /nfs/dbraw/zinc/12/68/66/788126866.db2.gz YSFPTPHHQQAVJR-QZTJIDSGSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133222340 788321703 /nfs/dbraw/zinc/32/17/03/788321703.db2.gz ODSFYGHLTSAZQI-DZGCQCFKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133313227 788364938 /nfs/dbraw/zinc/36/49/38/788364938.db2.gz BRVHVFCATBAADE-WFASDCNBSA-N 2 1 324.856 2.018 20 30 DEEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135019802 789167122 /nfs/dbraw/zinc/16/71/22/789167122.db2.gz CRUKNCGUGQDTOQ-CABCVRRESA-N 2 1 318.465 2.211 20 30 DEEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626431 789422060 /nfs/dbraw/zinc/42/20/60/789422060.db2.gz SZWLLOFRHDTFHH-HZPDHXFCSA-N 2 1 318.465 2.293 20 30 DEEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678559 789444013 /nfs/dbraw/zinc/44/40/13/789444013.db2.gz GAXWYJMVDKIRLT-GJZGRUSLSA-N 2 1 306.454 2.421 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678388 789444443 /nfs/dbraw/zinc/44/44/43/789444443.db2.gz DLXXCSYWDSGYCE-LSDHHAIUSA-N 2 1 306.454 2.421 20 30 DEEDMP C=CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071607426 789809936 /nfs/dbraw/zinc/80/99/36/789809936.db2.gz PIYBROLOGUPWHP-JKSUJKDBSA-N 2 1 305.466 2.018 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650890 789842336 /nfs/dbraw/zinc/84/23/36/789842336.db2.gz DWJIUIMCUARLJF-HOCLYGCPSA-N 2 1 312.417 2.493 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(=C)C ZINC001171308877 791562055 /nfs/dbraw/zinc/56/20/55/791562055.db2.gz YNDFAKUTFOQPRD-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC(=C)C ZINC001171308877 791562063 /nfs/dbraw/zinc/56/20/63/791562063.db2.gz YNDFAKUTFOQPRD-MSOLQXFVSA-N 2 1 319.493 2.315 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091715624 791740832 /nfs/dbraw/zinc/74/08/32/791740832.db2.gz CZAHPADFGQKURJ-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091715624 791740835 /nfs/dbraw/zinc/74/08/35/791740835.db2.gz CZAHPADFGQKURJ-AOIWGVFYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924030 791853077 /nfs/dbraw/zinc/85/30/77/791853077.db2.gz IFKUKYQEZSGXKQ-GVDBMIGSSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942420 791856700 /nfs/dbraw/zinc/85/67/00/791856700.db2.gz QOBMXEGCTFJFSP-IRXDYDNUSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093094037 792239238 /nfs/dbraw/zinc/23/92/38/792239238.db2.gz XVZATUHEVKXEFE-SJLPKXTDSA-N 2 1 321.509 2.367 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410640 792635291 /nfs/dbraw/zinc/63/52/91/792635291.db2.gz GKIDYPCKFKXRLR-QQFBHYJXSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094379933 792899258 /nfs/dbraw/zinc/89/92/58/792899258.db2.gz HCJKQYSKPUZQKP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379933 792899269 /nfs/dbraw/zinc/89/92/69/792899269.db2.gz HCJKQYSKPUZQKP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379933 792899281 /nfs/dbraw/zinc/89/92/81/792899281.db2.gz HCJKQYSKPUZQKP-YQVWRLOYSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595306 793258002 /nfs/dbraw/zinc/25/80/02/793258002.db2.gz AZKUJMVSLJLDTD-UHFFFAOYSA-N 2 1 318.465 2.232 20 30 DEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172299085 793406579 /nfs/dbraw/zinc/40/65/79/793406579.db2.gz IYMREZUINDZUHJ-ZTFGCOKTSA-N 2 1 313.445 2.460 20 30 DEEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001204098898 793481813 /nfs/dbraw/zinc/48/18/13/793481813.db2.gz NCRISJJHELYRNZ-UHFFFAOYSA-N 2 1 315.461 2.184 20 30 DEEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101112 793504528 /nfs/dbraw/zinc/50/45/28/793504528.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101112 793504532 /nfs/dbraw/zinc/50/45/32/793504532.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101112 793504536 /nfs/dbraw/zinc/50/45/36/793504536.db2.gz NGUOGHIQBLMAKV-HZPDHXFCSA-N 2 1 309.498 2.367 20 30 DEEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318726 793571241 /nfs/dbraw/zinc/57/12/41/793571241.db2.gz HDHRVPHVIDRLQA-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626504 /nfs/dbraw/zinc/62/65/04/793626504.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626509 /nfs/dbraw/zinc/62/65/09/793626509.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472088 793626516 /nfs/dbraw/zinc/62/65/16/793626516.db2.gz HMYWLFJRONSLNG-IAGOWNOFSA-N 2 1 309.498 2.369 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103147907 793958539 /nfs/dbraw/zinc/95/85/39/793958539.db2.gz GCZCMDSKHFWYKA-ZACQAIPSSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308998 794033697 /nfs/dbraw/zinc/03/36/97/794033697.db2.gz MCZBRSXPSJYINM-HZPDHXFCSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359204 794056495 /nfs/dbraw/zinc/05/64/95/794056495.db2.gz OSRYPBIYCRGUCY-KURKYZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359204 794056505 /nfs/dbraw/zinc/05/65/05/794056505.db2.gz OSRYPBIYCRGUCY-KURKYZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359204 794056513 /nfs/dbraw/zinc/05/65/13/794056513.db2.gz OSRYPBIYCRGUCY-KURKYZTESA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407658 794078142 /nfs/dbraw/zinc/07/81/42/794078142.db2.gz NVWXETJRFUAGKL-BRWVUGGUSA-N 2 1 309.498 2.223 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570942 794148283 /nfs/dbraw/zinc/14/82/83/794148283.db2.gz MOXVGQNLNULFJF-QZTJIDSGSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115250149 794713608 /nfs/dbraw/zinc/71/36/08/794713608.db2.gz SKFKYDROZZAEDR-DZFIZOCASA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729330 794897881 /nfs/dbraw/zinc/89/78/81/794897881.db2.gz AQALZBRZWPLFGV-MRXNPFEDSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729684 794898083 /nfs/dbraw/zinc/89/80/83/794898083.db2.gz PFCBPWNSDHHITN-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029674 795053394 /nfs/dbraw/zinc/05/33/94/795053394.db2.gz OAXKVNKCVRVBSG-UHFFFAOYSA-N 2 1 306.454 2.424 20 30 DEEDMP C#CCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823860 795190123 /nfs/dbraw/zinc/19/01/23/795190123.db2.gz FSKMLQPDQFNNSR-UHFFFAOYSA-N 2 1 318.465 2.261 20 30 DEEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120440481 795461155 /nfs/dbraw/zinc/46/11/55/795461155.db2.gz NQPNALDTCRJFKS-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440481 795461161 /nfs/dbraw/zinc/46/11/61/795461161.db2.gz NQPNALDTCRJFKS-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120440481 795461167 /nfs/dbraw/zinc/46/11/67/795461167.db2.gz NQPNALDTCRJFKS-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102540 795590465 /nfs/dbraw/zinc/59/04/65/795590465.db2.gz IJINFZGKQPLGJV-RFSHTEQGSA-N 2 1 319.493 2.452 20 30 DEEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791312 795687205 /nfs/dbraw/zinc/68/72/05/795687205.db2.gz LFXNMIFOLOOYFT-UHFFFAOYSA-N 2 1 319.493 2.005 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122021720 795718106 /nfs/dbraw/zinc/71/81/06/795718106.db2.gz DVAYEDQDRHQHJR-UHFFFAOYSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183399037 795865115 /nfs/dbraw/zinc/86/51/15/795865115.db2.gz MBOAUZKPJWUQPA-MLGOLLRUSA-N 2 1 324.856 2.018 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185535431 796286818 /nfs/dbraw/zinc/28/68/18/796286818.db2.gz DRTQTNIOZHVDFZ-UKRRQHHQSA-N 2 1 315.889 2.155 20 30 DEEDMP COc1cc(C[NH+]2CCC(C#N)CC2)cc(C[NH+](C)C)c1O ZINC001139253400 796349012 /nfs/dbraw/zinc/34/90/12/796349012.db2.gz UJUNVQMQTFZHSZ-UHFFFAOYSA-N 2 1 303.406 2.198 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219739 796693420 /nfs/dbraw/zinc/69/34/20/796693420.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219739 796693424 /nfs/dbraw/zinc/69/34/24/796693424.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161219739 796693428 /nfs/dbraw/zinc/69/34/28/796693428.db2.gz NMGWJSWKVNDHSE-UHFFFAOYSA-N 2 1 319.493 2.433 20 30 DEEDMP C=CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462446 796871328 /nfs/dbraw/zinc/87/13/28/796871328.db2.gz YSHSKFZDYBOBNJ-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083919 796934860 /nfs/dbraw/zinc/93/48/60/796934860.db2.gz HKFHCDOVZWZCEE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083919 796934862 /nfs/dbraw/zinc/93/48/62/796934862.db2.gz HKFHCDOVZWZCEE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083919 796934863 /nfs/dbraw/zinc/93/48/63/796934863.db2.gz HKFHCDOVZWZCEE-SJORKVTESA-N 2 1 307.482 2.358 20 30 DEEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443946 796998473 /nfs/dbraw/zinc/99/84/73/796998473.db2.gz LXVYOJFMXAWWDC-HOTGVXAUSA-N 2 1 313.461 2.165 20 30 DEEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062009 797130591 /nfs/dbraw/zinc/13/05/91/797130591.db2.gz PXCMHOSRPRFUFZ-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191062009 797130593 /nfs/dbraw/zinc/13/05/93/797130593.db2.gz PXCMHOSRPRFUFZ-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191062009 797130595 /nfs/dbraw/zinc/13/05/95/797130595.db2.gz PXCMHOSRPRFUFZ-QGZVFWFLSA-N 2 1 319.493 2.195 20 30 DEEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507268 797222542 /nfs/dbraw/zinc/22/25/42/797222542.db2.gz JTWSIELCYMLMKP-ZWKOTPCHSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(Cl)CN(C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192387918 797378532 /nfs/dbraw/zinc/37/85/32/797378532.db2.gz ZPAODANTNJMXEP-CQSZACIVSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154158881 797475635 /nfs/dbraw/zinc/47/56/35/797475635.db2.gz KPVIZYQMABVNBP-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154158881 797475639 /nfs/dbraw/zinc/47/56/39/797475639.db2.gz KPVIZYQMABVNBP-CQSZACIVSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109053 798144642 /nfs/dbraw/zinc/14/46/42/798144642.db2.gz HYNCZIQHGDNSRL-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109053 798144644 /nfs/dbraw/zinc/14/46/44/798144644.db2.gz HYNCZIQHGDNSRL-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109053 798144647 /nfs/dbraw/zinc/14/46/47/798144647.db2.gz HYNCZIQHGDNSRL-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109053 798144650 /nfs/dbraw/zinc/14/46/50/798144650.db2.gz HYNCZIQHGDNSRL-CABCVRRESA-N 2 1 315.889 2.440 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701371 798262091 /nfs/dbraw/zinc/26/20/91/798262091.db2.gz CAYNPDMFSWGWIM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701371 798262096 /nfs/dbraw/zinc/26/20/96/798262096.db2.gz CAYNPDMFSWGWIM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701371 798262101 /nfs/dbraw/zinc/26/21/01/798262101.db2.gz CAYNPDMFSWGWIM-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751588 798463178 /nfs/dbraw/zinc/46/31/78/798463178.db2.gz ZFKPADKDGKFIKM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751588 798463180 /nfs/dbraw/zinc/46/31/80/798463180.db2.gz ZFKPADKDGKFIKM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751588 798463182 /nfs/dbraw/zinc/46/31/82/798463182.db2.gz ZFKPADKDGKFIKM-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200643592 798666682 /nfs/dbraw/zinc/66/66/82/798666682.db2.gz DRGQSZODRTYCSG-DLBZAZTESA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160360636 798679234 /nfs/dbraw/zinc/67/92/34/798679234.db2.gz TZJYQDSFRKWUJV-GOSISDBHSA-N 2 1 319.493 2.431 20 30 DEEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161390846 798845534 /nfs/dbraw/zinc/84/55/34/798845534.db2.gz LVOZSHCULBLCQP-SFHVURJKSA-N 2 1 317.477 2.021 20 30 DEEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161925265 798969550 /nfs/dbraw/zinc/96/95/50/798969550.db2.gz ZBZLLIDLCJLPQG-HZPDHXFCSA-N 2 1 305.466 2.184 20 30 DEEDMP C#CCC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472999 799735411 /nfs/dbraw/zinc/73/54/11/799735411.db2.gz VUYLPKLFEJMDJJ-QGZVFWFLSA-N 2 1 319.493 2.149 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203633571 800095172 /nfs/dbraw/zinc/09/51/72/800095172.db2.gz ZFHZBQIWRJILKA-HOTGVXAUSA-N 2 1 307.482 2.311 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339728 800344312 /nfs/dbraw/zinc/34/43/12/800344312.db2.gz KVSAEDFUPXEUJK-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483505 800362506 /nfs/dbraw/zinc/36/25/06/800362506.db2.gz GUPNCCPZANBWJG-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP CSc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1C#N ZINC001205627573 800389980 /nfs/dbraw/zinc/38/99/80/800389980.db2.gz QXQVFGPOIXQZAY-CHWSQXEVSA-N 2 1 304.463 2.482 20 30 DEEDMP C=CCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445460 800534555 /nfs/dbraw/zinc/53/45/55/800534555.db2.gz QKTGIJYWQBDVAW-UHFFFAOYSA-N 2 1 318.465 2.411 20 30 DEEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450531 800723351 /nfs/dbraw/zinc/72/33/51/800723351.db2.gz FBWHTFQVJBWOIW-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CC[NH2+]CC1)CCO2 ZINC001207436971 800752463 /nfs/dbraw/zinc/75/24/63/800752463.db2.gz MTUWIZODNUJYSD-QZTJIDSGSA-N 2 1 308.466 2.060 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208014482 800893733 /nfs/dbraw/zinc/89/37/33/800893733.db2.gz QRXJUPNUTBHXHK-DLBZAZTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208189167 800926651 /nfs/dbraw/zinc/92/66/51/800926651.db2.gz RKINTHIDUUWBLR-MRXNPFEDSA-N 2 1 323.481 2.485 20 30 DEEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208189167 800926655 /nfs/dbraw/zinc/92/66/55/800926655.db2.gz RKINTHIDUUWBLR-MRXNPFEDSA-N 2 1 323.481 2.485 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001229185604 801239311 /nfs/dbraw/zinc/23/93/11/801239311.db2.gz OYOBQFMSNUPJPK-HZPDHXFCSA-N 2 1 307.482 2.406 20 30 DEEDMP C[C@@H](c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1)[NH+](C)C ZINC001229627709 801299309 /nfs/dbraw/zinc/29/93/09/801299309.db2.gz QXAQFKTUPMSTPK-OOWFEVOQSA-N 2 1 302.418 2.300 20 30 DEEDMP C[C@@H](c1cccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1)[NH+](C)C ZINC001229627709 801299313 /nfs/dbraw/zinc/29/93/13/801299313.db2.gz QXAQFKTUPMSTPK-OOWFEVOQSA-N 2 1 302.418 2.300 20 30 DEEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229691884 801306760 /nfs/dbraw/zinc/30/67/60/801306760.db2.gz BHRXUVKQWYBOAO-BRWVUGGUSA-N 2 1 307.482 2.311 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210585629 801426809 /nfs/dbraw/zinc/42/68/09/801426809.db2.gz RNQUMCYGWSAQAD-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230619329 801438735 /nfs/dbraw/zinc/43/87/35/801438735.db2.gz XQPLOJQRUHNOBL-GOSISDBHSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211375839 801557081 /nfs/dbraw/zinc/55/70/81/801557081.db2.gz AWKSDPXNHVOWKK-ZACQAIPSSA-N 2 1 307.482 2.119 20 30 DEEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001233081920 802023146 /nfs/dbraw/zinc/02/31/46/802023146.db2.gz UYCUVANRUWSFBF-RBUKOAKNSA-N 2 1 312.461 2.077 20 30 DEEDMP C=CC[NH+]1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471959 802792825 /nfs/dbraw/zinc/79/28/25/802792825.db2.gz HWXJYWMKCPLVFK-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C[NH+](C)CCCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224991749 802925167 /nfs/dbraw/zinc/92/51/67/802925167.db2.gz ZYAGGTFWCAXOKD-SFHVURJKSA-N 2 1 301.434 2.491 20 30 DEEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001226765826 803155695 /nfs/dbraw/zinc/15/56/95/803155695.db2.gz FUXYODGAJWOCOI-RCCFBDPRSA-N 2 1 319.493 2.290 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228054988 803313876 /nfs/dbraw/zinc/31/38/76/803313876.db2.gz VFRQPATWGBFIPT-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228054988 803313884 /nfs/dbraw/zinc/31/38/84/803313884.db2.gz VFRQPATWGBFIPT-UHFFFAOYSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001328035144 1148704986 /nfs/dbraw/zinc/70/49/86/1148704986.db2.gz MHWMZFDTXRNVFQ-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=CCCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001331038447 1149366241 /nfs/dbraw/zinc/36/62/41/1149366241.db2.gz GGKBGBSNPRZFCJ-UHFFFAOYSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001328097466 1148718974 /nfs/dbraw/zinc/71/89/74/1148718974.db2.gz FLNXWFMZVALEKA-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001328097466 1148718985 /nfs/dbraw/zinc/71/89/85/1148718985.db2.gz FLNXWFMZVALEKA-MRXNPFEDSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001368465450 1148456346 /nfs/dbraw/zinc/45/63/46/1148456346.db2.gz CSKYEMYTOKSRGC-AWEZNQCLSA-N 2 1 313.873 2.240 20 30 DEEDMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328868308 1148843312 /nfs/dbraw/zinc/84/33/12/1148843312.db2.gz CFHCPUIVFHHTBX-DQPZFDDXSA-N 2 1 305.466 2.064 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001501229628 1059392078 /nfs/dbraw/zinc/39/20/78/1059392078.db2.gz BTRXDQSZCLQZTK-BBWFWOEESA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1 ZINC001467728792 1059694788 /nfs/dbraw/zinc/69/47/88/1059694788.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001467728792 1059694793 /nfs/dbraw/zinc/69/47/93/1059694793.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001467728792 1059694810 /nfs/dbraw/zinc/69/48/10/1059694810.db2.gz QEWRLTSBGUYADK-ZACQAIPSSA-N 2 1 307.482 2.073 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479295344 1061371390 /nfs/dbraw/zinc/37/13/90/1061371390.db2.gz OGGSMCQLEWDPEX-BBWFWOEESA-N 2 1 307.482 2.310 20 30 DEEDMP C=CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001479828292 1061850796 /nfs/dbraw/zinc/85/07/96/1061850796.db2.gz YFFDAZKDJUKSIU-HZPDHXFCSA-N 2 1 304.438 2.127 20 30 DEEDMP C#CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745388 1062355006 /nfs/dbraw/zinc/35/50/06/1062355006.db2.gz VEIYCAQFGIJBFL-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745388 1062355027 /nfs/dbraw/zinc/35/50/27/1062355027.db2.gz VEIYCAQFGIJBFL-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001506745388 1062355050 /nfs/dbraw/zinc/35/50/50/1062355050.db2.gz VEIYCAQFGIJBFL-KRWDZBQOSA-N 2 1 319.493 2.101 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001506753044 1062364377 /nfs/dbraw/zinc/36/43/77/1062364377.db2.gz MCLCOSDKBKMYAK-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001480190232 1062442066 /nfs/dbraw/zinc/44/20/66/1062442066.db2.gz YNDVNPFPVJPCEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190232 1062442078 /nfs/dbraw/zinc/44/20/78/1062442078.db2.gz YNDVNPFPVJPCEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001480190232 1062442089 /nfs/dbraw/zinc/44/20/89/1062442089.db2.gz YNDVNPFPVJPCEM-IRXDYDNUSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480257849 1062543486 /nfs/dbraw/zinc/54/34/86/1062543486.db2.gz OCAAQKOLYPHYEX-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480385886 1062772926 /nfs/dbraw/zinc/77/29/26/1062772926.db2.gz FSPJMRHLBOXTFB-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385886 1062772943 /nfs/dbraw/zinc/77/29/43/1062772943.db2.gz FSPJMRHLBOXTFB-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001480385886 1062772958 /nfs/dbraw/zinc/77/29/58/1062772958.db2.gz FSPJMRHLBOXTFB-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001507084536 1062803073 /nfs/dbraw/zinc/80/30/73/1062803073.db2.gz HFQWLJADPOVRPI-KGLIPLIRSA-N 2 1 301.862 2.050 20 30 DEEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001507349595 1063139628 /nfs/dbraw/zinc/13/96/28/1063139628.db2.gz WAGRKLBZFUVKFR-CRAIPNDOSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480697278 1063203263 /nfs/dbraw/zinc/20/32/63/1063203263.db2.gz LRBPOAPMAQGXRS-JKSUJKDBSA-N 2 1 307.482 2.454 20 30 DEEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001480823480 1063401982 /nfs/dbraw/zinc/40/19/82/1063401982.db2.gz JRKZTKQLDNGJGX-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480823480 1063401994 /nfs/dbraw/zinc/40/19/94/1063401994.db2.gz JRKZTKQLDNGJGX-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001480823480 1063402003 /nfs/dbraw/zinc/40/20/03/1063402003.db2.gz JRKZTKQLDNGJGX-ROUUACIJSA-N 2 1 319.493 2.245 20 30 DEEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001508081625 1063541271 /nfs/dbraw/zinc/54/12/71/1063541271.db2.gz PHZBXSMVOPFUQI-HOTGVXAUSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001508120640 1063566099 /nfs/dbraw/zinc/56/60/99/1063566099.db2.gz IGHBMTHUGXTJQW-JEYLPNPQSA-N 2 1 304.438 2.125 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493239816 1063662041 /nfs/dbraw/zinc/66/20/41/1063662041.db2.gz DPPVTVQERAAYDL-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001493239816 1063662044 /nfs/dbraw/zinc/66/20/44/1063662044.db2.gz DPPVTVQERAAYDL-HNNXBMFYSA-N 2 1 304.438 2.021 20 30 DEEDMP C=CCCCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001493260819 1063677342 /nfs/dbraw/zinc/67/73/42/1063677342.db2.gz UQGGPRFSTSQTQF-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493260819 1063677344 /nfs/dbraw/zinc/67/73/44/1063677344.db2.gz UQGGPRFSTSQTQF-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493260819 1063677349 /nfs/dbraw/zinc/67/73/49/1063677349.db2.gz UQGGPRFSTSQTQF-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001493759886 1063951758 /nfs/dbraw/zinc/95/17/58/1063951758.db2.gz OJAHXGFRWGOVJA-KRWDZBQOSA-N 2 1 303.450 2.304 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301374 1064205115 /nfs/dbraw/zinc/20/51/15/1064205115.db2.gz CWPFOPSVBSJIOW-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301374 1064205120 /nfs/dbraw/zinc/20/51/20/1064205120.db2.gz CWPFOPSVBSJIOW-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001567497327 1064226758 /nfs/dbraw/zinc/22/67/58/1064226758.db2.gz UNRSBRUTXCINII-ZDUSSCGKSA-N 2 1 312.845 2.197 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567729504 1064380073 /nfs/dbraw/zinc/38/00/73/1064380073.db2.gz IGGDNRUTPCGXOG-JKSUJKDBSA-N 2 1 313.461 2.023 20 30 DEEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001567742789 1064395429 /nfs/dbraw/zinc/39/54/29/1064395429.db2.gz USSMKGRNQDTMOV-QZTJIDSGSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567742939 1064395723 /nfs/dbraw/zinc/39/57/23/1064395723.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742939 1064395731 /nfs/dbraw/zinc/39/57/31/1064395731.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001567742939 1064395737 /nfs/dbraw/zinc/39/57/37/1064395737.db2.gz VODWPWJTGKKJNJ-IRXDYDNUSA-N 2 1 309.498 2.462 20 30 DEEDMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001568019739 1064598488 /nfs/dbraw/zinc/59/84/88/1064598488.db2.gz HYVMEKZZNFSBDW-JZXOWHBKSA-N 2 1 307.482 2.167 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001568299984 1064764027 /nfs/dbraw/zinc/76/40/27/1064764027.db2.gz ICHVLGBTTOCBDY-GDBMZVCRSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001568493245 1064907694 /nfs/dbraw/zinc/90/76/94/1064907694.db2.gz NFVXGDPUORNDSD-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001568493245 1064907706 /nfs/dbraw/zinc/90/77/06/1064907706.db2.gz NFVXGDPUORNDSD-MRXNPFEDSA-N 2 1 318.465 2.110 20 30 DEEDMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001495743745 1065088162 /nfs/dbraw/zinc/08/81/62/1065088162.db2.gz SHPSRLPYCGEKHX-GDBMZVCRSA-N 2 1 318.465 2.062 20 30 DEEDMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CCCCC1 ZINC001496326751 1065409521 /nfs/dbraw/zinc/40/95/21/1065409521.db2.gz OTUQPSKNXIZKIY-SJLPKXTDSA-N 2 1 319.493 2.006 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001496861903 1065761302 /nfs/dbraw/zinc/76/13/02/1065761302.db2.gz VBILBAYUTGIUJK-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001496861903 1065761308 /nfs/dbraw/zinc/76/13/08/1065761308.db2.gz VBILBAYUTGIUJK-IAGOWNOFSA-N 2 1 316.449 2.081 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001496911283 1065799490 /nfs/dbraw/zinc/79/94/90/1065799490.db2.gz HOJBKAHZRFOTRL-IRXDYDNUSA-N 2 1 318.465 2.422 20 30 DEEDMP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001496917554 1065804760 /nfs/dbraw/zinc/80/47/60/1065804760.db2.gz MLCBOEOVTOMEFC-JKSUJKDBSA-N 2 1 304.438 2.032 20 30 DEEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001570048417 1065901813 /nfs/dbraw/zinc/90/18/13/1065901813.db2.gz ITBVZQRZYUAOTF-DSPLQEQRSA-N 2 1 307.482 2.310 20 30 DEEDMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001497331296 1066030913 /nfs/dbraw/zinc/03/09/13/1066030913.db2.gz LHPGKTUGYDNMTE-DOTOQJQBSA-N 2 1 303.450 2.350 20 30 DEEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001570374197 1066037777 /nfs/dbraw/zinc/03/77/77/1066037777.db2.gz LAMMMHIPJULKPA-UHFFFAOYSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001570504478 1066097922 /nfs/dbraw/zinc/09/79/22/1066097922.db2.gz KDIBLMYMADAZBV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570504478 1066097934 /nfs/dbraw/zinc/09/79/34/1066097934.db2.gz KDIBLMYMADAZBV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=CCCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001570504478 1066097944 /nfs/dbraw/zinc/09/79/44/1066097944.db2.gz KDIBLMYMADAZBV-GOSISDBHSA-N 2 1 321.509 2.465 20 30 DEEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001628586154 1078299788 /nfs/dbraw/zinc/29/97/88/1078299788.db2.gz VOYOKLFJINWJOF-GOEBONIOSA-N 2 1 321.490 2.365 20 30 DEEDMP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC001577426300 1066840074 /nfs/dbraw/zinc/84/00/74/1066840074.db2.gz LDXAHCNRYUTABI-OAHLLOKOSA-N 2 1 321.469 2.136 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001267182332 1078645312 /nfs/dbraw/zinc/64/53/12/1078645312.db2.gz ZKRCLEIFSUEMGD-GOSISDBHSA-N 2 1 319.493 2.247 20 30 DEEDMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001570710070 1068085295 /nfs/dbraw/zinc/08/52/95/1068085295.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710070 1068085310 /nfs/dbraw/zinc/08/53/10/1068085310.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001570710070 1068085322 /nfs/dbraw/zinc/08/53/22/1068085322.db2.gz ASXDWQVIIAAVQX-JKSUJKDBSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571689250 1068481753 /nfs/dbraw/zinc/48/17/53/1068481753.db2.gz PSHMTMAWTMKBKC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001571689250 1068481759 /nfs/dbraw/zinc/48/17/59/1068481759.db2.gz PSHMTMAWTMKBKC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001571689250 1068481764 /nfs/dbraw/zinc/48/17/64/1068481764.db2.gz PSHMTMAWTMKBKC-KRWDZBQOSA-N 2 1 305.466 2.185 20 30 DEEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486818 1078912887 /nfs/dbraw/zinc/91/28/87/1078912887.db2.gz MACHOYZZPTULDN-ZMSDIMECSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486817 1078912981 /nfs/dbraw/zinc/91/29/81/1078912981.db2.gz MACHOYZZPTULDN-BFYDXBDKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267547584 1078978587 /nfs/dbraw/zinc/97/85/87/1078978587.db2.gz PMSNWBJJSOORSI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267547584 1078978594 /nfs/dbraw/zinc/97/85/94/1078978594.db2.gz PMSNWBJJSOORSI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267547584 1078978599 /nfs/dbraw/zinc/97/85/99/1078978599.db2.gz PMSNWBJJSOORSI-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001483847624 1079148646 /nfs/dbraw/zinc/14/86/46/1079148646.db2.gz ITOUIIMFEWSIHJ-IBGZPJMESA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001483932848 1079194182 /nfs/dbraw/zinc/19/41/82/1079194182.db2.gz RTPIUCAVFFIJEF-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001483933274 1079194726 /nfs/dbraw/zinc/19/47/26/1079194726.db2.gz YOUMMEXCHPUHKR-GJZGRUSLSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670023 1079358947 /nfs/dbraw/zinc/35/89/47/1079358947.db2.gz KBBBLMRIORUXER-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001566553505 1075279114 /nfs/dbraw/zinc/27/91/14/1075279114.db2.gz WHUIDGVVERWCIA-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001566553505 1075279115 /nfs/dbraw/zinc/27/91/15/1075279115.db2.gz WHUIDGVVERWCIA-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001566553505 1075279116 /nfs/dbraw/zinc/27/91/16/1075279116.db2.gz WHUIDGVVERWCIA-GOSISDBHSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001566898633 1075378065 /nfs/dbraw/zinc/37/80/65/1075378065.db2.gz FNQXTCDAMMFOIF-NVXWUHKLSA-N 2 1 318.465 2.374 20 30 DEEDMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566914182 1075383410 /nfs/dbraw/zinc/38/34/10/1075383410.db2.gz YSADBOVELJRFBR-AEFFLSMTSA-N 2 1 315.461 2.304 20 30 DEEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001484568355 1079665575 /nfs/dbraw/zinc/66/55/75/1079665575.db2.gz JORGIFFLOWOMSP-BZSNNMDCSA-N 2 1 319.493 2.149 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001484653090 1079709497 /nfs/dbraw/zinc/70/94/97/1079709497.db2.gz MBHAFQFJBGULDE-QGZVFWFLSA-N 2 1 311.445 2.013 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001484728667 1079752228 /nfs/dbraw/zinc/75/22/28/1079752228.db2.gz SZPIZFGEVLPPGU-KRWDZBQOSA-N 2 1 307.482 2.409 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001484721488 1079757650 /nfs/dbraw/zinc/75/76/50/1079757650.db2.gz JDHZDKCMLYUWRG-HZPDHXFCSA-N 2 1 304.438 2.381 20 30 DEEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001268035291 1079862434 /nfs/dbraw/zinc/86/24/34/1079862434.db2.gz XWUVBTDKBBMYRD-MRXNPFEDSA-N 2 1 307.482 2.456 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001484986982 1079900016 /nfs/dbraw/zinc/90/00/16/1079900016.db2.gz WNSMDWQZKPGSOP-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001484986982 1079900020 /nfs/dbraw/zinc/90/00/20/1079900020.db2.gz WNSMDWQZKPGSOP-GOEBONIOSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001481461882 1079906870 /nfs/dbraw/zinc/90/68/70/1079906870.db2.gz KLRRPZUUBBGCFU-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001481461882 1079906875 /nfs/dbraw/zinc/90/68/75/1079906875.db2.gz KLRRPZUUBBGCFU-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481461882 1079906881 /nfs/dbraw/zinc/90/68/81/1079906881.db2.gz KLRRPZUUBBGCFU-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481461882 1079906885 /nfs/dbraw/zinc/90/68/85/1079906885.db2.gz KLRRPZUUBBGCFU-SFHVURJKSA-N 2 1 315.461 2.133 20 30 DEEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481487615 1079945077 /nfs/dbraw/zinc/94/50/77/1079945077.db2.gz GEQYDCDKTRRBPF-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001481487940 1079945780 /nfs/dbraw/zinc/94/57/80/1079945780.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481487940 1079945786 /nfs/dbraw/zinc/94/57/86/1079945786.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481487940 1079945793 /nfs/dbraw/zinc/94/57/93/1079945793.db2.gz MDBHXCSWKZDPJR-MRXNPFEDSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001268047281 1079948352 /nfs/dbraw/zinc/94/83/52/1079948352.db2.gz YECBDZGFZYIGBN-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481492858 1079949800 /nfs/dbraw/zinc/94/98/00/1079949800.db2.gz YYIMKIALFXHAEU-MRXNPFEDSA-N 2 1 324.428 2.060 20 30 DEEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001481516188 1079983494 /nfs/dbraw/zinc/98/34/94/1079983494.db2.gz QCTBIWYEVCWLGG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001481516188 1079983500 /nfs/dbraw/zinc/98/35/00/1079983500.db2.gz QCTBIWYEVCWLGG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001481516188 1079983506 /nfs/dbraw/zinc/98/35/06/1079983506.db2.gz QCTBIWYEVCWLGG-QGZVFWFLSA-N 2 1 307.482 2.217 20 30 DEEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001481518031 1079987499 /nfs/dbraw/zinc/98/74/99/1079987499.db2.gz DXVYMGKZJUPYCG-GOSISDBHSA-N 2 1 321.509 2.301 20 30 DEEDMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001485432714 1080204853 /nfs/dbraw/zinc/20/48/53/1080204853.db2.gz BBQLGSUNBQJQQX-YESZJQIVSA-N 2 1 309.498 2.365 20 30 DEEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001485506831 1080268270 /nfs/dbraw/zinc/26/82/70/1080268270.db2.gz QXYYWFWJBAKKGK-WBVHZDCISA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001485539052 1080286136 /nfs/dbraw/zinc/28/61/36/1080286136.db2.gz GUIRLAXKPIJRHE-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001494057356 1080385970 /nfs/dbraw/zinc/38/59/70/1080385970.db2.gz SMKVHADYSJROLQ-QGZVFWFLSA-N 2 1 307.482 2.123 20 30 DEEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481772228 1080490200 /nfs/dbraw/zinc/49/02/00/1080490200.db2.gz USSPKQMJZVLJKS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481772228 1080490202 /nfs/dbraw/zinc/49/02/02/1080490202.db2.gz USSPKQMJZVLJKS-KRWDZBQOSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783536 1080502984 /nfs/dbraw/zinc/50/29/84/1080502984.db2.gz WYYAOXHALAJCTG-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001481783536 1080502992 /nfs/dbraw/zinc/50/29/92/1080502992.db2.gz WYYAOXHALAJCTG-RDJZCZTQSA-N 2 1 318.465 2.469 20 30 DEEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977884 1080551094 /nfs/dbraw/zinc/55/10/94/1080551094.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977884 1080551103 /nfs/dbraw/zinc/55/11/03/1080551103.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977884 1080551108 /nfs/dbraw/zinc/55/11/08/1080551108.db2.gz PUKGSHGSCZKSEE-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001661977883 1080551585 /nfs/dbraw/zinc/55/15/85/1080551585.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977883 1080551589 /nfs/dbraw/zinc/55/15/89/1080551589.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001661977883 1080551599 /nfs/dbraw/zinc/55/15/99/1080551599.db2.gz PUKGSHGSCZKSEE-QZTJIDSGSA-N 2 1 319.493 2.197 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001673406750 1080659320 /nfs/dbraw/zinc/65/93/20/1080659320.db2.gz IVPXCKZXGRRBJD-QGZVFWFLSA-N 2 1 307.482 2.409 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663120243 1080705383 /nfs/dbraw/zinc/70/53/83/1080705383.db2.gz RQLXWCFKWUERIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663120243 1080705391 /nfs/dbraw/zinc/70/53/91/1080705391.db2.gz RQLXWCFKWUERIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663120243 1080705399 /nfs/dbraw/zinc/70/53/99/1080705399.db2.gz RQLXWCFKWUERIF-IRXDYDNUSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001663389509 1080739444 /nfs/dbraw/zinc/73/94/44/1080739444.db2.gz UOEIXCJBTGXZMH-UHFFFAOYSA-N 2 1 309.479 2.438 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001663507697 1080761685 /nfs/dbraw/zinc/76/16/85/1080761685.db2.gz CBLNYZIPADRNDL-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001663507697 1080761698 /nfs/dbraw/zinc/76/16/98/1080761698.db2.gz CBLNYZIPADRNDL-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001663507697 1080761709 /nfs/dbraw/zinc/76/17/09/1080761709.db2.gz CBLNYZIPADRNDL-MRXNPFEDSA-N 2 1 307.482 2.406 20 30 DEEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001664597670 1080929856 /nfs/dbraw/zinc/92/98/56/1080929856.db2.gz BZCIAWKTJNCHQP-MSOLQXFVSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001664726244 1080949479 /nfs/dbraw/zinc/94/94/79/1080949479.db2.gz GUQRUIUJDZVJFV-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726244 1080949484 /nfs/dbraw/zinc/94/94/84/1080949484.db2.gz GUQRUIUJDZVJFV-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001664726244 1080949491 /nfs/dbraw/zinc/94/94/91/1080949491.db2.gz GUQRUIUJDZVJFV-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001664760042 1080957071 /nfs/dbraw/zinc/95/70/71/1080957071.db2.gz KIUHABHXFJUYGL-DLBZAZTESA-N 2 1 307.482 2.121 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665741980 1081075736 /nfs/dbraw/zinc/07/57/36/1081075736.db2.gz IPAPDIHRSXHZKF-QGZVFWFLSA-N 2 1 307.482 2.361 20 30 DEEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001269071617 1081109186 /nfs/dbraw/zinc/10/91/86/1081109186.db2.gz NDXLTXSXJFXCEG-WMZOPIPTSA-N 2 1 319.493 2.311 20 30 DEEDMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001666389563 1081149777 /nfs/dbraw/zinc/14/97/77/1081149777.db2.gz JSPGKOSIKYWZJY-GOSISDBHSA-N 2 1 319.493 2.102 20 30 DEEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666620921 1081167507 /nfs/dbraw/zinc/16/75/07/1081167507.db2.gz UZGCHOZGOYBGIZ-WMLDXEAASA-N 2 1 313.461 2.117 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001666620919 1081167569 /nfs/dbraw/zinc/16/75/69/1081167569.db2.gz UZGCHOZGOYBGIZ-PBHICJAKSA-N 2 1 313.461 2.117 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001269234503 1081176421 /nfs/dbraw/zinc/17/64/21/1081176421.db2.gz AMUYLPWXONYMEJ-MRXNPFEDSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC001666808898 1081183027 /nfs/dbraw/zinc/18/30/27/1081183027.db2.gz SCGJCDCMJCGAOU-KRWDZBQOSA-N 2 1 315.461 2.494 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001667151053 1081216506 /nfs/dbraw/zinc/21/65/06/1081216506.db2.gz JHOAYDZKKJUFGE-DOTOQJQBSA-N 2 1 307.482 2.169 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269350099 1081223375 /nfs/dbraw/zinc/22/33/75/1081223375.db2.gz YFGJCQNXZJAFRP-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269350099 1081223380 /nfs/dbraw/zinc/22/33/80/1081223380.db2.gz YFGJCQNXZJAFRP-INIZCTEOSA-N 2 1 304.438 2.081 20 30 DEEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001667668916 1081270780 /nfs/dbraw/zinc/27/07/80/1081270780.db2.gz HKZJJBCRKXZMAH-KRWDZBQOSA-N 2 1 309.498 2.463 20 30 DEEDMP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001669001053 1081417911 /nfs/dbraw/zinc/41/79/11/1081417911.db2.gz KCNZOPAZKAPBKP-FUYDUDRRSA-N 2 1 307.482 2.333 20 30 DEEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001671598192 1081525327 /nfs/dbraw/zinc/52/53/27/1081525327.db2.gz HQYRRPPPQPJSCJ-IBGZPJMESA-N 2 1 319.493 2.056 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001672442717 1081598744 /nfs/dbraw/zinc/59/87/44/1081598744.db2.gz KYAULXIJFYHHSY-CALCHBBNSA-N 2 1 307.482 2.075 20 30 DEEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001672990612 1081729638 /nfs/dbraw/zinc/72/96/38/1081729638.db2.gz BNRIBFVDQRUKIU-QAQDUYKDSA-N 2 1 318.465 2.422 20 30 DEEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001674480266 1081879178 /nfs/dbraw/zinc/87/91/78/1081879178.db2.gz FOWCPLBPMGAHQN-DLBZAZTESA-N 2 1 307.482 2.053 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001674506238 1081885148 /nfs/dbraw/zinc/88/51/48/1081885148.db2.gz WDRUFLYUHGITOR-ROUUACIJSA-N 2 1 321.509 2.465 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266247343 1081915000 /nfs/dbraw/zinc/91/50/00/1081915000.db2.gz IXVUWPWUHBYKSU-ROUUACIJSA-N 2 1 319.493 2.101 20 30 DEEDMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001271287147 1082005189 /nfs/dbraw/zinc/00/51/89/1082005189.db2.gz ZAZPXNNXOSUMDO-ZWKOTPCHSA-N 2 1 321.509 2.252 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001266468215 1082056903 /nfs/dbraw/zinc/05/69/03/1082056903.db2.gz MDQYOJAHURUDDS-SJORKVTESA-N 2 1 316.449 2.074 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266845307 1082387842 /nfs/dbraw/zinc/38/78/42/1082387842.db2.gz WAUQCNUWJZEFAQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266845307 1082387846 /nfs/dbraw/zinc/38/78/46/1082387846.db2.gz WAUQCNUWJZEFAQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266845307 1082387850 /nfs/dbraw/zinc/38/78/50/1082387850.db2.gz WAUQCNUWJZEFAQ-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001266859059 1082403686 /nfs/dbraw/zinc/40/36/86/1082403686.db2.gz WRPYHCAISHTYDT-QGZVFWFLSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001276439856 1083434632 /nfs/dbraw/zinc/43/46/32/1083434632.db2.gz LTINILGAZWFNKH-HNNXBMFYSA-N 2 1 318.465 2.409 20 30 DEEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609621 1083514822 /nfs/dbraw/zinc/51/48/22/1083514822.db2.gz ZFOJMFFJHDIZJY-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609621 1083514831 /nfs/dbraw/zinc/51/48/31/1083514831.db2.gz ZFOJMFFJHDIZJY-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609621 1083514836 /nfs/dbraw/zinc/51/48/36/1083514836.db2.gz ZFOJMFFJHDIZJY-ZHALLVOQSA-N 2 1 319.493 2.265 20 30 DEEDMP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276633783 1083525135 /nfs/dbraw/zinc/52/51/35/1083525135.db2.gz OOATVFZOIFKOMY-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835506 1083769697 /nfs/dbraw/zinc/76/96/97/1083769697.db2.gz XIPJDMLBFVZWJM-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835506 1083769705 /nfs/dbraw/zinc/76/97/05/1083769705.db2.gz XIPJDMLBFVZWJM-LNLFQRSKSA-N 2 1 319.493 2.406 20 30 DEEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001277702245 1084102854 /nfs/dbraw/zinc/10/28/54/1084102854.db2.gz JMTQYVPVSIJCAV-QZTJIDSGSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001277779732 1084145713 /nfs/dbraw/zinc/14/57/13/1084145713.db2.gz POUVOERHMZWMGT-ALXJQNPVSA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001272870392 1084399977 /nfs/dbraw/zinc/39/99/77/1084399977.db2.gz ONLMWCFXEZSIPD-HZPDHXFCSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001486156127 1085097270 /nfs/dbraw/zinc/09/72/70/1085097270.db2.gz TWGXRKOLMNARKP-FUHWJXTLSA-N 2 1 305.466 2.162 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000964377264 1085194601 /nfs/dbraw/zinc/19/46/01/1085194601.db2.gz FCWNWWPSSYYJKL-WLYUNCDWSA-N 2 1 313.873 2.050 20 30 DEEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)(C)C ZINC001486409688 1085279835 /nfs/dbraw/zinc/27/98/35/1085279835.db2.gz IQTXTVHQDXHKCG-GDBMZVCRSA-N 2 1 318.465 2.060 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001486507742 1085384369 /nfs/dbraw/zinc/38/43/69/1085384369.db2.gz XEHKCFKNSXJEJT-JFIYKMOQSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001486507742 1085384384 /nfs/dbraw/zinc/38/43/84/1085384384.db2.gz XEHKCFKNSXJEJT-JFIYKMOQSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCC[C@@H](C)[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001486507742 1085384393 /nfs/dbraw/zinc/38/43/93/1085384393.db2.gz XEHKCFKNSXJEJT-JFIYKMOQSA-N 2 1 319.493 2.430 20 30 DEEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001486521046 1085404835 /nfs/dbraw/zinc/40/48/35/1085404835.db2.gz NIDSLNNUIXLIOZ-HOTGVXAUSA-N 2 1 305.466 2.184 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961284589 1085670268 /nfs/dbraw/zinc/67/02/68/1085670268.db2.gz NRDCHBITVPLXES-ZWKOTPCHSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963433290 1086452954 /nfs/dbraw/zinc/45/29/54/1086452954.db2.gz LQOKYMNTFJFAJW-ABHNRTSZSA-N 2 1 319.493 2.242 20 30 DEEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000956958271 1087916471 /nfs/dbraw/zinc/91/64/71/1087916471.db2.gz FMDLAVLNTMENJH-UHFFFAOYSA-N 2 1 315.461 2.471 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000957424079 1088278958 /nfs/dbraw/zinc/27/89/58/1088278958.db2.gz CJRNSFWCXODHLG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000957424079 1088278975 /nfs/dbraw/zinc/27/89/75/1088278975.db2.gz CJRNSFWCXODHLG-QGZVFWFLSA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114745686 1088379510 /nfs/dbraw/zinc/37/95/10/1088379510.db2.gz DRHWBYMXJWHKLZ-FVQHAEBGSA-N 2 1 319.493 2.121 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603052 1088450014 /nfs/dbraw/zinc/45/00/14/1088450014.db2.gz MNOAWIOWGGSEDQ-DLBZAZTESA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554179 1089059186 /nfs/dbraw/zinc/05/91/86/1089059186.db2.gz FIDFBBXATDRMAE-BRWVUGGUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557519 1089063426 /nfs/dbraw/zinc/06/34/26/1089063426.db2.gz YBNRONXCYFMWNZ-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557519 1089063435 /nfs/dbraw/zinc/06/34/35/1089063435.db2.gz YBNRONXCYFMWNZ-BRWVUGGUSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001082558630 1090006349 /nfs/dbraw/zinc/00/63/49/1090006349.db2.gz ZUSMIWFIOPHVOR-IXDOHACOSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628948 1091924315 /nfs/dbraw/zinc/92/43/15/1091924315.db2.gz IDKMKUGSEFYXIR-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275628948 1091924322 /nfs/dbraw/zinc/92/43/22/1091924322.db2.gz IDKMKUGSEFYXIR-HOCLYGCPSA-N 2 1 318.465 2.157 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833190 1091962288 /nfs/dbraw/zinc/96/22/88/1091962288.db2.gz LSOYAFHCVIPALK-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948886222 1091981719 /nfs/dbraw/zinc/98/17/19/1091981719.db2.gz KOIRDUSPXGSVQZ-SFHVURJKSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030374 /nfs/dbraw/zinc/03/03/74/1093030374.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030387 /nfs/dbraw/zinc/03/03/87/1093030387.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001489342566 1093030397 /nfs/dbraw/zinc/03/03/97/1093030397.db2.gz QHCZEOSRUCCUOV-HNNXBMFYSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001490765680 1093518631 /nfs/dbraw/zinc/51/86/31/1093518631.db2.gz GZDRLCGMUBPEBC-INIZCTEOSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001490806169 1093611767 /nfs/dbraw/zinc/61/17/67/1093611767.db2.gz YUUSHOJQSQSZGY-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001490806169 1093611773 /nfs/dbraw/zinc/61/17/73/1093611773.db2.gz YUUSHOJQSQSZGY-CALCHBBNSA-N 2 1 305.466 2.114 20 30 DEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691729865 1138216693 /nfs/dbraw/zinc/21/66/93/1138216693.db2.gz VMXDKNCYHJASTR-CWRNSKLLSA-N 2 1 304.438 2.031 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001491804800 1140317141 /nfs/dbraw/zinc/31/71/41/1140317141.db2.gz KQELRUDVPDIBQF-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001318804823 1140424446 /nfs/dbraw/zinc/42/44/46/1140424446.db2.gz KVWRQEYQTLGHHB-MSOLQXFVSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001318829253 1140428659 /nfs/dbraw/zinc/42/86/59/1140428659.db2.gz XQRNDOWEBBJMHC-SJORKVTESA-N 2 1 307.482 2.265 20 30 DEEDMP CC#CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001319021372 1140491664 /nfs/dbraw/zinc/49/16/64/1140491664.db2.gz YFFVCXHHJRXUBB-SFHVURJKSA-N 2 1 319.493 2.102 20 30 DEEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1C)CC2 ZINC001319407104 1140566230 /nfs/dbraw/zinc/56/62/30/1140566230.db2.gz AWIKPNMMNBLOOU-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001319460455 1140582904 /nfs/dbraw/zinc/58/29/04/1140582904.db2.gz MTSAPJSGDGZUQD-HUUCEWRRSA-N 2 1 306.454 2.409 20 30 DEEDMP C=CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001319823673 1140747040 /nfs/dbraw/zinc/74/70/40/1140747040.db2.gz CUFUSAMOEOPHDF-DOTOQJQBSA-N 2 1 318.465 2.374 20 30 DEEDMP C=C1C[C@@H]2CC([NH2+][C@@]3(CC(=O)OCC)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246124592 1140863834 /nfs/dbraw/zinc/86/38/34/1140863834.db2.gz GGUHNPLTCOYDKA-IXEWLPCDSA-N 2 1 306.450 2.396 20 30 DEEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001323722651 1141880657 /nfs/dbraw/zinc/88/06/57/1141880657.db2.gz QXQSJEZHRDOOJW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722651 1141880659 /nfs/dbraw/zinc/88/06/59/1141880659.db2.gz QXQSJEZHRDOOJW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001323722651 1141880660 /nfs/dbraw/zinc/88/06/60/1141880660.db2.gz QXQSJEZHRDOOJW-MRXNPFEDSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001324072406 1142000645 /nfs/dbraw/zinc/00/06/45/1142000645.db2.gz INAHYMWAJUBDLI-HOCLYGCPSA-N 2 1 304.438 2.127 20 30 DEEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278571270 1142211741 /nfs/dbraw/zinc/21/17/41/1142211741.db2.gz DISGIIOWCAXXPW-WMZOPIPTSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001278582917 1142240610 /nfs/dbraw/zinc/24/06/10/1142240610.db2.gz RVZJHNMDSVWCMY-WMZOPIPTSA-N 2 1 307.482 2.265 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC001336784820 1142569542 /nfs/dbraw/zinc/56/95/42/1142569542.db2.gz ICBSCLUIKSATQJ-KRWDZBQOSA-N 2 1 306.837 2.451 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667466 1142721888 /nfs/dbraw/zinc/72/18/88/1142721888.db2.gz FWCIVUNWWIDFHY-GOSISDBHSA-N 2 1 318.465 2.376 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667466 1142721900 /nfs/dbraw/zinc/72/19/00/1142721900.db2.gz FWCIVUNWWIDFHY-GOSISDBHSA-N 2 1 318.465 2.376 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC001338493308 1142859383 /nfs/dbraw/zinc/85/93/83/1142859383.db2.gz ZLCIYDMXOVAJHW-UHFFFAOYSA-N 2 1 313.445 2.117 20 30 DEEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662227 1143304341 /nfs/dbraw/zinc/30/43/41/1143304341.db2.gz DFMLVEPFSYSWKM-CADBVGFASA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662227 1143304347 /nfs/dbraw/zinc/30/43/47/1143304347.db2.gz DFMLVEPFSYSWKM-CADBVGFASA-N 2 1 317.477 2.359 20 30 DEEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254662227 1143304352 /nfs/dbraw/zinc/30/43/52/1143304352.db2.gz DFMLVEPFSYSWKM-CADBVGFASA-N 2 1 317.477 2.359 20 30 DEEDMP C[N@@H+](CCO)CCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016305 1143879900 /nfs/dbraw/zinc/87/99/00/1143879900.db2.gz ZTJPIVUFVSQGNU-UHFFFAOYSA-N 2 1 315.461 2.488 20 30 DEEDMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001264740540 1144604075 /nfs/dbraw/zinc/60/40/75/1144604075.db2.gz WJPWVGVSQXBSQI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001264740540 1144604082 /nfs/dbraw/zinc/60/40/82/1144604082.db2.gz WJPWVGVSQXBSQI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001264740540 1144604087 /nfs/dbraw/zinc/60/40/87/1144604087.db2.gz WJPWVGVSQXBSQI-ROUUACIJSA-N 2 1 319.493 2.195 20 30 DEEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001265398550 1144701962 /nfs/dbraw/zinc/70/19/62/1144701962.db2.gz DDERRCGFEYYLKR-GOSISDBHSA-N 2 1 319.493 2.056 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001265621487 1144718885 /nfs/dbraw/zinc/71/88/85/1144718885.db2.gz KZQKLCAVNADJBB-DLBZAZTESA-N 2 1 307.482 2.123 20 30 DEEDMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266068942 1144802476 /nfs/dbraw/zinc/80/24/76/1144802476.db2.gz RWLSBINIAIYKME-HOTGVXAUSA-N 2 1 307.482 2.005 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266228719 1144816577 /nfs/dbraw/zinc/81/65/77/1144816577.db2.gz MNHDHESBUKIIDW-QGZVFWFLSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001279410524 1144822123 /nfs/dbraw/zinc/82/21/23/1144822123.db2.gz ZIAUOTCASMFMJZ-ZJPYXAASSA-N 2 1 321.509 2.318 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552853 1144896708 /nfs/dbraw/zinc/89/67/08/1144896708.db2.gz MFFXGKXCOWFZMO-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552853 1144896709 /nfs/dbraw/zinc/89/67/09/1144896709.db2.gz MFFXGKXCOWFZMO-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001281552853 1144896710 /nfs/dbraw/zinc/89/67/10/1144896710.db2.gz MFFXGKXCOWFZMO-MRXNPFEDSA-N 2 1 321.509 2.204 20 30 DEEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001282667254 1145119565 /nfs/dbraw/zinc/11/95/65/1145119565.db2.gz PHOOMLPDRXMQJM-CVEARBPZSA-N 2 1 313.461 2.213 20 30 DEEDMP CCCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001282693790 1145129156 /nfs/dbraw/zinc/12/91/56/1145129156.db2.gz RICGLEWQFVQNKJ-WBVHZDCISA-N 2 1 309.498 2.488 20 30 DEEDMP C=CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001282959588 1145214303 /nfs/dbraw/zinc/21/43/03/1145214303.db2.gz VOFTVHOBWCIRJD-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001282959588 1145214309 /nfs/dbraw/zinc/21/43/09/1145214309.db2.gz VOFTVHOBWCIRJD-BBWFWOEESA-N 2 1 307.482 2.119 20 30 DEEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001284150270 1145808169 /nfs/dbraw/zinc/80/81/69/1145808169.db2.gz ALUMHRQEDLKICV-MSOLQXFVSA-N 2 1 319.493 2.245 20 30 DEEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001491933851 1147006170 /nfs/dbraw/zinc/00/61/70/1147006170.db2.gz RYHSPLKVFRWVBP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491933851 1147006178 /nfs/dbraw/zinc/00/61/78/1147006178.db2.gz RYHSPLKVFRWVBP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491933851 1147006184 /nfs/dbraw/zinc/00/61/84/1147006184.db2.gz RYHSPLKVFRWVBP-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001491947870 1147014048 /nfs/dbraw/zinc/01/40/48/1147014048.db2.gz YMFLMAQZWPKEAC-DLBZAZTESA-N 2 1 307.482 2.053 20 30 DEEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491964813 1147024721 /nfs/dbraw/zinc/02/47/21/1147024721.db2.gz BRTGQEIVLBCBRX-SFHVURJKSA-N 2 1 319.493 2.199 20 30 DEEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317205875 1147275154 /nfs/dbraw/zinc/27/51/54/1147275154.db2.gz FSLZUIFFZPPGRF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205875 1147275164 /nfs/dbraw/zinc/27/51/64/1147275164.db2.gz FSLZUIFFZPPGRF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001317205875 1147275170 /nfs/dbraw/zinc/27/51/70/1147275170.db2.gz FSLZUIFFZPPGRF-SJORKVTESA-N 2 1 307.482 2.360 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001366675714 1147470473 /nfs/dbraw/zinc/47/04/73/1147470473.db2.gz ZTWMBGQAYDNPSY-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001366675714 1147470451 /nfs/dbraw/zinc/47/04/51/1147470451.db2.gz ZTWMBGQAYDNPSY-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001366675714 1147470459 /nfs/dbraw/zinc/47/04/59/1147470459.db2.gz ZTWMBGQAYDNPSY-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001366675714 1147470468 /nfs/dbraw/zinc/47/04/68/1147470468.db2.gz ZTWMBGQAYDNPSY-CQSZACIVSA-N 2 1 301.862 2.051 20 30 DEEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001316755248 1147594341 /nfs/dbraw/zinc/59/43/41/1147594341.db2.gz WLKMEZRHUNDEGK-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001316755248 1147594346 /nfs/dbraw/zinc/59/43/46/1147594346.db2.gz WLKMEZRHUNDEGK-SQNIBIBYSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001316923328 1147632185 /nfs/dbraw/zinc/63/21/85/1147632185.db2.gz FNPMNDGLHWNLIR-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001316923328 1147632187 /nfs/dbraw/zinc/63/21/87/1147632187.db2.gz FNPMNDGLHWNLIR-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001316923328 1147632189 /nfs/dbraw/zinc/63/21/89/1147632189.db2.gz FNPMNDGLHWNLIR-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001316923328 1147632191 /nfs/dbraw/zinc/63/21/91/1147632191.db2.gz FNPMNDGLHWNLIR-CYBMUJFWSA-N 2 1 313.873 2.051 20 30 DEEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316998233 1147646834 /nfs/dbraw/zinc/64/68/34/1147646834.db2.gz KLINSAUDLNSJFL-HZPDHXFCSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317024049 1147649589 /nfs/dbraw/zinc/64/95/89/1147649589.db2.gz CYGNSUGGWCGNTK-DLBZAZTESA-N 2 1 307.482 2.169 20 30 DEEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317115230 1147661433 /nfs/dbraw/zinc/66/14/33/1147661433.db2.gz MXUBXXZKZPEQID-BBWFWOEESA-N 2 1 307.482 2.454 20 30 DEEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317153683 1147667376 /nfs/dbraw/zinc/66/73/76/1147667376.db2.gz WWZJORJMHDQASO-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317342101 1147693375 /nfs/dbraw/zinc/69/33/75/1147693375.db2.gz FNXDNSGRYVBVDC-FUHWJXTLSA-N 2 1 315.461 2.304 20 30 DEEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317376193 1147699028 /nfs/dbraw/zinc/69/90/28/1147699028.db2.gz NHRMBHVQVCRDTF-QGZVFWFLSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317403677 1147702202 /nfs/dbraw/zinc/70/22/02/1147702202.db2.gz CROBQQSPYLIQOF-HOCLYGCPSA-N 2 1 318.465 2.205 20 30 DEEDMP C=C(C)C[N@@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317489216 1147714494 /nfs/dbraw/zinc/71/44/94/1147714494.db2.gz XPZCTLHIEXBLGS-UHFFFAOYSA-N 2 1 307.482 2.123 20 30 DEEDMP C=C(C)C[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001317559406 1147725407 /nfs/dbraw/zinc/72/54/07/1147725407.db2.gz XDZFJZYVUGXYQA-UHFFFAOYSA-N 2 1 307.482 2.264 20 30 DEEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001317704550 1147745868 /nfs/dbraw/zinc/74/58/68/1147745868.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001317704550 1147745870 /nfs/dbraw/zinc/74/58/70/1147745870.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 2 1 321.509 2.489 20 30 DEEDMP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001317704550 1147745872 /nfs/dbraw/zinc/74/58/72/1147745872.db2.gz FBWGLUJDDOIWCO-GOSISDBHSA-N 2 1 321.509 2.489 20 30 DEEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264090629 529695356 /nfs/dbraw/zinc/69/53/56/529695356.db2.gz KVYYNEDHVRDJLU-DOTOQJQBSA-N 2 1 302.466 2.254 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254742 1148755042 /nfs/dbraw/zinc/75/50/42/1148755042.db2.gz GACBPTHCUNBZSX-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001328254742 1148755057 /nfs/dbraw/zinc/75/50/57/1148755057.db2.gz GACBPTHCUNBZSX-JKSUJKDBSA-N 2 1 319.493 2.242 20 30 DEEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713329 529774557 /nfs/dbraw/zinc/77/45/57/529774557.db2.gz ISVBNYVSLXWVOP-RTBURBONSA-N 2 1 312.461 2.216 20 30 DEEDMP CCNC(NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)=[NH+]CC ZINC000066242374 354705856 /nfs/dbraw/zinc/70/58/56/354705856.db2.gz AJUPEHGJRSAQGQ-QGZVFWFLSA-N 2 1 318.465 2.407 20 30 DEEDMP Cc1cc(C#N)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000588977329 357438453 /nfs/dbraw/zinc/43/84/53/357438453.db2.gz UNNAXFDRDXLBJQ-UHFFFAOYSA-N 2 1 302.466 2.182 20 30 DEEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000591765484 357757994 /nfs/dbraw/zinc/75/79/94/357757994.db2.gz GIIGGDBKRGBRNK-FAFZWHIHSA-N 2 1 315.461 2.399 20 30 DEEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000591765484 357757999 /nfs/dbraw/zinc/75/79/99/357757999.db2.gz GIIGGDBKRGBRNK-FAFZWHIHSA-N 2 1 315.461 2.399 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660598504 540310150 /nfs/dbraw/zinc/31/01/50/540310150.db2.gz ZSXVPSZHYYAKPT-INIZCTEOSA-N 2 1 322.497 2.199 20 30 DEEDMP C[NH+](CC#CC[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000276621379 213007132 /nfs/dbraw/zinc/00/71/32/213007132.db2.gz USYPJGJLEPNVDP-UHFFFAOYSA-N 2 1 322.456 2.129 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000598597675 359254904 /nfs/dbraw/zinc/25/49/04/359254904.db2.gz SURCOLRBPSJTRF-BHYGNILZSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000598597675 359254908 /nfs/dbraw/zinc/25/49/08/359254908.db2.gz SURCOLRBPSJTRF-BHYGNILZSA-N 2 1 305.466 2.236 20 30 DEEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000598597675 359254912 /nfs/dbraw/zinc/25/49/12/359254912.db2.gz SURCOLRBPSJTRF-BHYGNILZSA-N 2 1 305.466 2.236 20 30 DEEDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602527107 360419132 /nfs/dbraw/zinc/41/91/32/360419132.db2.gz YOZPMAXROUGOHJ-UHFFFAOYSA-N 2 1 310.401 2.183 20 30 DEEDMP C=C[C@@H](C(=O)OC)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000619720096 363864606 /nfs/dbraw/zinc/86/46/06/363864606.db2.gz ADSXAJPGHDGDEY-KRWDZBQOSA-N 2 1 317.433 2.348 20 30 DEEDMP C=C[C@@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000619720096 363864610 /nfs/dbraw/zinc/86/46/10/363864610.db2.gz ADSXAJPGHDGDEY-KRWDZBQOSA-N 2 1 317.433 2.348 20 30 DEEDMP C=CCc1cc(C[NH2+]CCc2c[nH+]cn2C)cc(OC)c1O ZINC000623086195 364879318 /nfs/dbraw/zinc/87/93/18/364879318.db2.gz BHVDGHPDAFOKDZ-UHFFFAOYSA-N 2 1 301.390 2.195 20 30 DEEDMP COc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCCC2)cc1 ZINC000262472851 533178365 /nfs/dbraw/zinc/17/83/65/533178365.db2.gz BLOUNAIWKLQCSZ-PBHICJAKSA-N 2 1 316.449 2.160 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004332 401978701 /nfs/dbraw/zinc/97/87/01/401978701.db2.gz XJMHQZOVEOPVAR-INIZCTEOSA-N 2 1 318.465 2.099 20 30 DEEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004332 401978702 /nfs/dbraw/zinc/97/87/02/401978702.db2.gz XJMHQZOVEOPVAR-INIZCTEOSA-N 2 1 318.465 2.099 20 30 DEEDMP C=CC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121158547 402017952 /nfs/dbraw/zinc/01/79/52/402017952.db2.gz LZKMFRGIJPCFTG-UHFFFAOYSA-N 2 1 301.434 2.016 20 30 DEEDMP C=CC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000121158547 402017955 /nfs/dbraw/zinc/01/79/55/402017955.db2.gz LZKMFRGIJPCFTG-UHFFFAOYSA-N 2 1 301.434 2.016 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246396699 402528919 /nfs/dbraw/zinc/52/89/19/402528919.db2.gz SWOCHVZHAQPPGB-NVXWUHKLSA-N 2 1 322.497 2.009 20 30 DEEDMP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)N1 ZINC000262635717 402728739 /nfs/dbraw/zinc/72/87/39/402728739.db2.gz GTAYNNCRUPKYRE-GJZGRUSLSA-N 2 1 300.450 2.356 20 30 DEEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000271817303 402884410 /nfs/dbraw/zinc/88/44/10/402884410.db2.gz BWDZUXBZDQCWRE-MAUKXSAKSA-N 2 1 301.434 2.446 20 30 DEEDMP CC(C)C(N)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283616066 403210095 /nfs/dbraw/zinc/21/00/95/403210095.db2.gz VPRMKTPSERFMRF-MRXNPFEDSA-N 2 1 305.422 2.222 20 30 DEEDMP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277660151 403242364 /nfs/dbraw/zinc/24/23/64/403242364.db2.gz FJZNUOKPRVSGQX-QGZVFWFLSA-N 2 1 316.445 2.289 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000295081478 403753503 /nfs/dbraw/zinc/75/35/03/403753503.db2.gz TYOJFFYPHHFTOS-OAHLLOKOSA-N 2 1 302.418 2.454 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000295081478 403753507 /nfs/dbraw/zinc/75/35/07/403753507.db2.gz TYOJFFYPHHFTOS-OAHLLOKOSA-N 2 1 302.418 2.454 20 30 DEEDMP C=CCOCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000348101197 404041065 /nfs/dbraw/zinc/04/10/65/404041065.db2.gz KGOCCVKFUSBKQS-LJQANCHMSA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000348101197 404041074 /nfs/dbraw/zinc/04/10/74/404041074.db2.gz KGOCCVKFUSBKQS-LJQANCHMSA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348101197 404041082 /nfs/dbraw/zinc/04/10/82/404041082.db2.gz KGOCCVKFUSBKQS-LJQANCHMSA-N 2 1 318.461 2.148 20 30 DEEDMP C=CCOCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348101197 404041088 /nfs/dbraw/zinc/04/10/88/404041088.db2.gz KGOCCVKFUSBKQS-LJQANCHMSA-N 2 1 318.461 2.148 20 30 DEEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCCC(C)(C)C#N)CC2)C1 ZINC000364353874 404363419 /nfs/dbraw/zinc/36/34/19/404363419.db2.gz NKKGRGMWASYHEA-QGZVFWFLSA-N 2 1 306.498 2.418 20 30 DEEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)CC1 ZINC000364355437 404365972 /nfs/dbraw/zinc/36/59/72/404365972.db2.gz RYZXWYAMEDAACL-QGZVFWFLSA-N 2 1 306.498 2.418 20 30 DEEDMP C=CC[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662682180 425712496 /nfs/dbraw/zinc/71/24/96/425712496.db2.gz HPPZTJSCXNVUBC-WMZOPIPTSA-N 2 1 307.482 2.313 20 30 DEEDMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000662877269 425754792 /nfs/dbraw/zinc/75/47/92/425754792.db2.gz HMXDOKYDBFUOPS-MAUKXSAKSA-N 2 1 305.466 2.208 20 30 DEEDMP C=CC[NH+]1CCC(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297061878 335148906 /nfs/dbraw/zinc/14/89/06/335148906.db2.gz TUNRGKHRCPRNAU-UHFFFAOYSA-N 2 1 313.405 2.415 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330260239 1149081873 /nfs/dbraw/zinc/08/18/73/1149081873.db2.gz BFUAGPXYESTJAO-INIZCTEOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001401230878 1161899365 /nfs/dbraw/zinc/89/93/65/1161899365.db2.gz ZFUMUAXJLJZVQN-CABCVRRESA-N 2 1 315.889 2.296 20 30 DEEDMP C[NH+]=C(NCc1cc(F)ccc1SC)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262490470 526380633 /nfs/dbraw/zinc/38/06/33/526380633.db2.gz UQULVGDQPBRXQR-LBPRGKRZSA-N 2 1 324.469 2.164 20 30 DEEDMP C[NH+]=C(NCc1sccc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947046 526393780 /nfs/dbraw/zinc/39/37/80/526393780.db2.gz GFNROBDVXVZFHH-JSGCOSHPSA-N 2 1 306.479 2.204 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262451220 526394986 /nfs/dbraw/zinc/39/49/86/526394986.db2.gz VZMSFWZOHIEHST-DJIMGWMZSA-N 2 1 304.482 2.357 20 30 DEEDMP C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262451220 526394991 /nfs/dbraw/zinc/39/49/91/526394991.db2.gz VZMSFWZOHIEHST-DJIMGWMZSA-N 2 1 304.482 2.357 20 30 DEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423099582 526889830 /nfs/dbraw/zinc/88/98/30/526889830.db2.gz FOOIKSWIJCKROE-GUDVDZBRSA-N 2 1 316.445 2.498 20 30 DEEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@@H](C(C)C)C1 ZINC000261666753 528808555 /nfs/dbraw/zinc/80/85/55/528808555.db2.gz BNIPBGDZDSQRNT-OAHLLOKOSA-N 2 1 323.510 2.230 20 30 DEEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263107143 528809235 /nfs/dbraw/zinc/80/92/35/528809235.db2.gz DAXZMQVVJOTBHL-HNNXBMFYSA-N 2 1 312.461 2.499 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262382650 529074675 /nfs/dbraw/zinc/07/46/75/529074675.db2.gz KRDJAZQUJYJIFD-CQSZACIVSA-N 2 1 300.406 2.321 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(Cl)cccc1OC ZINC000191151867 529100813 /nfs/dbraw/zinc/10/08/13/529100813.db2.gz YQVKFVDZCGWCFD-LBPRGKRZSA-N 2 1 324.856 2.237 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025267605 625314249 /nfs/dbraw/zinc/31/42/49/625314249.db2.gz QQGQMWSHJFCQEC-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553244 625323918 /nfs/dbraw/zinc/32/39/18/625323918.db2.gz YCYBFYMFJRMHSO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553244 625323922 /nfs/dbraw/zinc/32/39/22/625323922.db2.gz YCYBFYMFJRMHSO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553244 625323925 /nfs/dbraw/zinc/32/39/25/625323925.db2.gz YCYBFYMFJRMHSO-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293757 625327934 /nfs/dbraw/zinc/32/79/34/625327934.db2.gz FVOPLHJBCZENEH-SJORKVTESA-N 2 1 305.466 2.114 20 30 DEEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCCCC1 ZINC000187056659 625415237 /nfs/dbraw/zinc/41/52/37/625415237.db2.gz LRYXIURUEGZPPL-INIZCTEOSA-N 2 1 324.513 2.362 20 30 DEEDMP C=CC[NH2+]C1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026507137 625488846 /nfs/dbraw/zinc/48/88/46/625488846.db2.gz NSAHXAZMKJRPCT-JCYILVPMSA-N 2 1 307.482 2.452 20 30 DEEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114690 622567786 /nfs/dbraw/zinc/56/77/86/622567786.db2.gz KPCAWDUHFNVOSJ-QGZVFWFLSA-N 2 1 319.493 2.409 20 30 DEEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969680514 622880187 /nfs/dbraw/zinc/88/01/87/622880187.db2.gz NDUSVTAZZBDLMN-HOTGVXAUSA-N 2 1 319.493 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC000969793396 622924490 /nfs/dbraw/zinc/92/44/90/622924490.db2.gz OHNZWANUHQKTGX-NVXWUHKLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001020587548 622926216 /nfs/dbraw/zinc/92/62/16/622926216.db2.gz KCCDWSHQSHKNGI-ZQIUZPCESA-N 2 1 311.445 2.012 20 30 DEEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836352 622941571 /nfs/dbraw/zinc/94/15/71/622941571.db2.gz LYYWDZUFYJWSJM-CRAIPNDOSA-N 2 1 319.493 2.406 20 30 DEEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681707 624503447 /nfs/dbraw/zinc/50/34/47/624503447.db2.gz FSGLSUVSJWPXBM-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681707 624503449 /nfs/dbraw/zinc/50/34/49/624503449.db2.gz FSGLSUVSJWPXBM-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681707 624503453 /nfs/dbraw/zinc/50/34/53/624503453.db2.gz FSGLSUVSJWPXBM-IRXDYDNUSA-N 2 1 305.466 2.112 20 30 DEEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024749895 625032173 /nfs/dbraw/zinc/03/21/73/625032173.db2.gz IPPOJVSWZBJNQG-SFHVURJKSA-N 2 1 319.493 2.265 20 30 DEEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000972454372 625092667 /nfs/dbraw/zinc/09/26/67/625092667.db2.gz SKIYLEJBNKPLOI-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000972454372 625092669 /nfs/dbraw/zinc/09/26/69/625092669.db2.gz SKIYLEJBNKPLOI-OAHLLOKOSA-N 2 1 304.438 2.115 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3nccn32)C[C@@H]1C ZINC000947539649 625152301 /nfs/dbraw/zinc/15/23/01/625152301.db2.gz FGBFPQLUZNVFSD-GJZGRUSLSA-N 2 1 312.417 2.493 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446189 625271379 /nfs/dbraw/zinc/27/13/79/625271379.db2.gz LNGQNPKYYAPYKS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001023446189 625271380 /nfs/dbraw/zinc/27/13/80/625271380.db2.gz LNGQNPKYYAPYKS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446189 625271381 /nfs/dbraw/zinc/27/13/81/625271381.db2.gz LNGQNPKYYAPYKS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001023446189 625271382 /nfs/dbraw/zinc/27/13/82/625271382.db2.gz LNGQNPKYYAPYKS-CABCVRRESA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468096 625794692 /nfs/dbraw/zinc/79/46/92/625794692.db2.gz IFPGOLUJEMSDPP-SJORKVTESA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531570 625848594 /nfs/dbraw/zinc/84/85/94/625848594.db2.gz TUIVKNMXWPIGIN-MRXNPFEDSA-N 2 1 305.466 2.162 20 30 DEEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999198311 634514217 /nfs/dbraw/zinc/51/42/17/634514217.db2.gz BJRQLHLMVIPCEC-HUUCEWRRSA-N 2 1 304.438 2.163 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000999308094 634556807 /nfs/dbraw/zinc/55/68/07/634556807.db2.gz PIOALHIPJUVQAM-CABCVRRESA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261744 634826621 /nfs/dbraw/zinc/82/66/21/634826621.db2.gz UJLCOSGWCIPMMS-WBVHZDCISA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC000995870571 633132043 /nfs/dbraw/zinc/13/20/43/633132043.db2.gz JCJBMSSRQJJZIG-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995888357 633138721 /nfs/dbraw/zinc/13/87/21/633138721.db2.gz XDAVLJHBIVDRPF-IAGOWNOFSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650266 633207665 /nfs/dbraw/zinc/20/76/65/633207665.db2.gz IIDVWMLYYLKXBX-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974650266 633207671 /nfs/dbraw/zinc/20/76/71/633207671.db2.gz IIDVWMLYYLKXBX-IRXDYDNUSA-N 2 1 321.509 2.367 20 30 DEEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974654081 633210968 /nfs/dbraw/zinc/21/09/68/633210968.db2.gz GZBZYXPMLFIIGF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654081 633211002 /nfs/dbraw/zinc/21/10/02/633211002.db2.gz GZBZYXPMLFIIGF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974654081 633211006 /nfs/dbraw/zinc/21/10/06/633211006.db2.gz GZBZYXPMLFIIGF-HOTGVXAUSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729352 633269848 /nfs/dbraw/zinc/26/98/48/633269848.db2.gz LOIWTQOMKUJMAK-MRXNPFEDSA-N 2 1 319.493 2.265 20 30 DEEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974746731 633278829 /nfs/dbraw/zinc/27/88/29/633278829.db2.gz PTZBOKKCARBBHH-QGZVFWFLSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975107579 633422648 /nfs/dbraw/zinc/42/26/48/633422648.db2.gz HGCNJAZYVGWWOJ-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107579 633422649 /nfs/dbraw/zinc/42/26/49/633422649.db2.gz HGCNJAZYVGWWOJ-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975107579 633422652 /nfs/dbraw/zinc/42/26/52/633422652.db2.gz HGCNJAZYVGWWOJ-HZPDHXFCSA-N 2 1 307.482 2.262 20 30 DEEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362832 633715711 /nfs/dbraw/zinc/71/57/11/633715711.db2.gz CQCMHBPZFIJCHY-HNNXBMFYSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977216771 633881766 /nfs/dbraw/zinc/88/17/66/633881766.db2.gz OKHXOURKMPBZNJ-MRXNPFEDSA-N 2 1 307.482 2.121 20 30 DEEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997612371 633899423 /nfs/dbraw/zinc/89/94/23/633899423.db2.gz GHLOSZJHPIVIET-RDJZCZTQSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997865795 634014776 /nfs/dbraw/zinc/01/47/76/634014776.db2.gz HYLGEGWOAKWMNU-RDJZCZTQSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502160 634016189 /nfs/dbraw/zinc/01/61/89/634016189.db2.gz TYPCMFYLLZQDCV-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502160 634016194 /nfs/dbraw/zinc/01/61/94/634016194.db2.gz TYPCMFYLLZQDCV-INIZCTEOSA-N 2 1 316.449 2.164 20 30 DEEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998007492 634108073 /nfs/dbraw/zinc/10/80/73/634108073.db2.gz OOEDOPCNJPLHKZ-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998007492 634108077 /nfs/dbraw/zinc/10/80/77/634108077.db2.gz OOEDOPCNJPLHKZ-FGTMMUONSA-N 2 1 319.493 2.053 20 30 DEEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000998049775 634124446 /nfs/dbraw/zinc/12/44/46/634124446.db2.gz JBSMOOWRMDPYSA-QGZVFWFLSA-N 2 1 324.428 2.284 20 30 DEEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998102784 634140953 /nfs/dbraw/zinc/14/09/53/634140953.db2.gz OHRVTIQAQSANOI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998102784 634140955 /nfs/dbraw/zinc/14/09/55/634140955.db2.gz OHRVTIQAQSANOI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000998102784 634140956 /nfs/dbraw/zinc/14/09/56/634140956.db2.gz OHRVTIQAQSANOI-ROUUACIJSA-N 2 1 319.493 2.197 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980170325 634873551 /nfs/dbraw/zinc/87/35/51/634873551.db2.gz BNJVCZDRIURUDM-KSZLIROESA-N 2 1 319.493 2.121 20 30 DEEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000980486681 635018919 /nfs/dbraw/zinc/01/89/19/635018919.db2.gz VMJMNFDYTJJGEF-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839377 635318414 /nfs/dbraw/zinc/31/84/14/635318414.db2.gz DUWVBXNUCZNXEO-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839377 635318421 /nfs/dbraw/zinc/31/84/21/635318421.db2.gz DUWVBXNUCZNXEO-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839377 635318425 /nfs/dbraw/zinc/31/84/25/635318425.db2.gz DUWVBXNUCZNXEO-QZTJIDSGSA-N 2 1 317.477 2.328 20 30 DEEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000875917 635323693 /nfs/dbraw/zinc/32/36/93/635323693.db2.gz QVPIPTFJKRLGKL-UHFFFAOYSA-N 2 1 310.401 2.191 20 30 DEEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001391741 635487241 /nfs/dbraw/zinc/48/72/41/635487241.db2.gz HIBJVGZYXZVVCF-QGZVFWFLSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001028098868 635515243 /nfs/dbraw/zinc/51/52/43/635515243.db2.gz XGHVRCQYSIAMKP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098868 635515248 /nfs/dbraw/zinc/51/52/48/635515248.db2.gz XGHVRCQYSIAMKP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001028098868 635515249 /nfs/dbraw/zinc/51/52/49/635515249.db2.gz XGHVRCQYSIAMKP-YESZJQIVSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981779156 635638346 /nfs/dbraw/zinc/63/83/46/635638346.db2.gz VMBHKPOTEDGTID-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981779156 635638348 /nfs/dbraw/zinc/63/83/48/635638348.db2.gz VMBHKPOTEDGTID-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981779156 635638350 /nfs/dbraw/zinc/63/83/50/635638350.db2.gz VMBHKPOTEDGTID-DLBZAZTESA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013282 635811181 /nfs/dbraw/zinc/81/11/81/635811181.db2.gz PPMHSZOZQIQLFZ-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013282 635811189 /nfs/dbraw/zinc/81/11/89/635811189.db2.gz PPMHSZOZQIQLFZ-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013282 635811193 /nfs/dbraw/zinc/81/11/93/635811193.db2.gz PPMHSZOZQIQLFZ-IAGOWNOFSA-N 2 1 319.493 2.075 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC000982142481 635886576 /nfs/dbraw/zinc/88/65/76/635886576.db2.gz DIGHMNRGTUPVCY-OAHLLOKOSA-N 2 1 304.438 2.089 20 30 DEEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163853 635890182 /nfs/dbraw/zinc/89/01/82/635890182.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163853 635890185 /nfs/dbraw/zinc/89/01/85/635890185.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163853 635890187 /nfs/dbraw/zinc/89/01/87/635890187.db2.gz ZQRQLMRBMRVTRT-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150855 635890558 /nfs/dbraw/zinc/89/05/58/635890558.db2.gz XXVNBZYZJRMJKL-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150855 635890561 /nfs/dbraw/zinc/89/05/61/635890561.db2.gz XXVNBZYZJRMJKL-UHFFFAOYSA-N 2 1 316.449 2.082 20 30 DEEDMP C=C(C)CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234982 635910986 /nfs/dbraw/zinc/91/09/86/635910986.db2.gz FYELWXJWWLQHHZ-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234982 635910988 /nfs/dbraw/zinc/91/09/88/635910988.db2.gz FYELWXJWWLQHHZ-QRQLOZEOSA-N 2 1 319.493 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ncc[nH]3)CC[C@@H]2C1 ZINC000946571100 635966890 /nfs/dbraw/zinc/96/68/90/635966890.db2.gz RKUIYSYEPKTKDE-IYBDPMFKSA-N 2 1 316.449 2.089 20 30 DEEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)C2 ZINC000922386580 636151862 /nfs/dbraw/zinc/15/18/62/636151862.db2.gz GKIXFEJXKFYEBU-VQHPVUNQSA-N 2 1 319.474 2.189 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028579797 636373450 /nfs/dbraw/zinc/37/34/50/636373450.db2.gz JDLCHSVBTHLMPC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001028579797 636373452 /nfs/dbraw/zinc/37/34/52/636373452.db2.gz JDLCHSVBTHLMPC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579797 636373457 /nfs/dbraw/zinc/37/34/57/636373457.db2.gz JDLCHSVBTHLMPC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001028579797 636373459 /nfs/dbraw/zinc/37/34/59/636373459.db2.gz JDLCHSVBTHLMPC-HUUCEWRRSA-N 2 1 313.873 2.051 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028592247 636433469 /nfs/dbraw/zinc/43/34/69/636433469.db2.gz IYAFFUUQXYZEGX-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592247 636433471 /nfs/dbraw/zinc/43/34/71/636433471.db2.gz IYAFFUUQXYZEGX-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028592247 636433472 /nfs/dbraw/zinc/43/34/72/636433472.db2.gz IYAFFUUQXYZEGX-ROUUACIJSA-N 2 1 321.509 2.369 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647445 636544706 /nfs/dbraw/zinc/54/47/06/636544706.db2.gz IGQQAMNVSLVVLB-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647445 636544707 /nfs/dbraw/zinc/54/47/07/636544707.db2.gz IGQQAMNVSLVVLB-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647445 636544709 /nfs/dbraw/zinc/54/47/09/636544709.db2.gz IGQQAMNVSLVVLB-IAGOWNOFSA-N 2 1 307.482 2.121 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001028661551 636573013 /nfs/dbraw/zinc/57/30/13/636573013.db2.gz LXVSDVVOZLWUHL-HNNXBMFYSA-N 2 1 312.417 2.352 20 30 DEEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755820 636703799 /nfs/dbraw/zinc/70/37/99/636703799.db2.gz VMSOTOFRLVUUDG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755820 636703807 /nfs/dbraw/zinc/70/38/07/636703807.db2.gz VMSOTOFRLVUUDG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755820 636703811 /nfs/dbraw/zinc/70/38/11/636703811.db2.gz VMSOTOFRLVUUDG-SJORKVTESA-N 2 1 307.482 2.123 20 30 DEEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755562 636705053 /nfs/dbraw/zinc/70/50/53/636705053.db2.gz QEMPNLKYLZDESZ-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755562 636705059 /nfs/dbraw/zinc/70/50/59/636705059.db2.gz QEMPNLKYLZDESZ-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755562 636705064 /nfs/dbraw/zinc/70/50/64/636705064.db2.gz QEMPNLKYLZDESZ-AEFFLSMTSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[C@@H](O)C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335810 637122403 /nfs/dbraw/zinc/12/24/03/637122403.db2.gz DULFZHDOMJNLLX-LSDHHAIUSA-N 2 1 309.479 2.190 20 30 DEEDMP C=CCC[C@@H](O)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923335810 637122406 /nfs/dbraw/zinc/12/24/06/637122406.db2.gz DULFZHDOMJNLLX-LSDHHAIUSA-N 2 1 309.479 2.190 20 30 DEEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000923385977 637154122 /nfs/dbraw/zinc/15/41/22/637154122.db2.gz IAGVCFMSQINIRS-RTBURBONSA-N 2 1 313.445 2.303 20 30 DEEDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1CCC[NH3+] ZINC000923388390 637156033 /nfs/dbraw/zinc/15/60/33/637156033.db2.gz JIXNNFXUOGSLEI-ZTFGCOKTSA-N 2 1 301.434 2.431 20 30 DEEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001006082905 637177513 /nfs/dbraw/zinc/17/75/13/637177513.db2.gz DITOKHFAUGGXEK-SFHVURJKSA-N 2 1 319.493 2.195 20 30 DEEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483225 641121047 /nfs/dbraw/zinc/12/10/47/641121047.db2.gz PSZWBKFTLQDTDE-DLBZAZTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000899972906 642223771 /nfs/dbraw/zinc/22/37/71/642223771.db2.gz SXPLKUNSTLFPCH-UHFFFAOYSA-N 2 1 315.461 2.147 20 30 DEEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900605397 642419199 /nfs/dbraw/zinc/41/91/99/642419199.db2.gz KLAGTWPMWBKDNG-DLBZAZTESA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000901233436 642601348 /nfs/dbraw/zinc/60/13/48/642601348.db2.gz LYKUPKIBLFSJAT-IAGOWNOFSA-N 2 1 301.434 2.056 20 30 DEEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902871366 643166196 /nfs/dbraw/zinc/16/61/96/643166196.db2.gz MYAMRENZORUWFO-XHSDSOJGSA-N 2 1 316.449 2.493 20 30 DEEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814068 643463631 /nfs/dbraw/zinc/46/36/31/643463631.db2.gz JROWIWZGPGCTLU-MRXNPFEDSA-N 2 1 305.466 2.171 20 30 DEEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857028 646670194 /nfs/dbraw/zinc/67/01/94/646670194.db2.gz CGSPJKCFLBCRIT-IEBWSBKVSA-N 2 1 322.412 2.084 20 30 DEEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874701 /nfs/dbraw/zinc/87/47/01/646874701.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874705 /nfs/dbraw/zinc/87/47/05/646874705.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992149865 646874709 /nfs/dbraw/zinc/87/47/09/646874709.db2.gz OEIDLEFWLWIASP-JENIJYKNSA-N 2 1 319.493 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993534464 647692460 /nfs/dbraw/zinc/69/24/60/647692460.db2.gz YJANBJPHBWLIEM-HZPDHXFCSA-N 2 1 305.466 2.160 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994268349 647888873 /nfs/dbraw/zinc/88/88/73/647888873.db2.gz MCNCSYCVAUDQEP-GOEBONIOSA-N 2 1 316.449 2.306 20 30 DEEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994268349 647888875 /nfs/dbraw/zinc/88/88/75/647888875.db2.gz MCNCSYCVAUDQEP-GOEBONIOSA-N 2 1 316.449 2.306 20 30 DEEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881710 648509532 /nfs/dbraw/zinc/50/95/32/648509532.db2.gz HNKLHESVMFLYFD-FUHWJXTLSA-N 2 1 319.493 2.099 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940745717 648932959 /nfs/dbraw/zinc/93/29/59/648932959.db2.gz SVRRKAOZDCWSPG-DLBZAZTESA-N 2 1 319.493 2.121 20 30 DEEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757003 648940372 /nfs/dbraw/zinc/94/03/72/648940372.db2.gz PFKCQFHRGKLSNM-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757003 648940375 /nfs/dbraw/zinc/94/03/75/648940375.db2.gz PFKCQFHRGKLSNM-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757003 648940377 /nfs/dbraw/zinc/94/03/77/648940377.db2.gz PFKCQFHRGKLSNM-BZUAXINKSA-N 2 1 307.482 2.119 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948372256 649096554 /nfs/dbraw/zinc/09/65/54/649096554.db2.gz AMYYYNQNGGFRAV-QZTJIDSGSA-N 2 1 319.493 2.217 20 30 DEEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942206467 649184769 /nfs/dbraw/zinc/18/47/69/649184769.db2.gz ZWTNDAGFNLSCED-KBXCAEBGSA-N 2 1 324.428 2.106 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582078 649253291 /nfs/dbraw/zinc/25/32/91/649253291.db2.gz ROXXCCVDEHITSN-ZBFHGGJFSA-N 2 1 319.449 2.358 20 30 DEEDMP CC(C)[N@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000848996187 651575606 /nfs/dbraw/zinc/57/56/06/651575606.db2.gz JGUAMWXTCZMDRD-KRWDZBQOSA-N 2 1 302.466 2.424 20 30 DEEDMP C=CC[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000853536564 652564555 /nfs/dbraw/zinc/56/45/55/652564555.db2.gz DREISUGCDRNDHB-QAPCUYQASA-N 2 1 319.449 2.149 20 30 DEEDMP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000304762566 685260964 /nfs/dbraw/zinc/26/09/64/685260964.db2.gz VVDVCQRQEPKXEN-KRWDZBQOSA-N 2 1 300.450 2.355 20 30 DEEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000104191026 684059340 /nfs/dbraw/zinc/05/93/40/684059340.db2.gz XQXYLYZXCVSJKR-CQSZACIVSA-N 2 1 320.456 2.492 20 30 DEEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154760 693865070 /nfs/dbraw/zinc/86/50/70/693865070.db2.gz VOUWVMYPWWNNCE-AEFFLSMTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184837 693874023 /nfs/dbraw/zinc/87/40/23/693874023.db2.gz MTAPRZDHGCFRDS-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184837 693874025 /nfs/dbraw/zinc/87/40/25/693874025.db2.gz MTAPRZDHGCFRDS-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184837 693874026 /nfs/dbraw/zinc/87/40/26/693874026.db2.gz MTAPRZDHGCFRDS-LNLFQRSKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2C1 ZINC001054270331 693908697 /nfs/dbraw/zinc/90/86/97/693908697.db2.gz KWPQGVBBBHIZIH-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270331 693908699 /nfs/dbraw/zinc/90/86/99/693908699.db2.gz KWPQGVBBBHIZIH-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270331 693908703 /nfs/dbraw/zinc/90/87/03/693908703.db2.gz KWPQGVBBBHIZIH-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270331 693908705 /nfs/dbraw/zinc/90/87/05/693908705.db2.gz KWPQGVBBBHIZIH-GOSISDBHSA-N 2 1 313.445 2.289 20 30 DEEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000303789902 685235788 /nfs/dbraw/zinc/23/57/88/685235788.db2.gz VUJTUQDPFMGUHV-KRWDZBQOSA-N 2 1 320.481 2.183 20 30 DEEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)C[NH+]1CCCC1 ZINC000865418696 687204157 /nfs/dbraw/zinc/20/41/57/687204157.db2.gz OCYVIALFMUAKIN-HNNXBMFYSA-N 2 1 300.450 2.446 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001015797058 687425072 /nfs/dbraw/zinc/42/50/72/687425072.db2.gz WJEOPALBWUVIDS-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797058 687425076 /nfs/dbraw/zinc/42/50/76/687425076.db2.gz WJEOPALBWUVIDS-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001015797058 687425079 /nfs/dbraw/zinc/42/50/79/687425079.db2.gz WJEOPALBWUVIDS-SJORKVTESA-N 2 1 307.482 2.406 20 30 DEEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016687259 687682219 /nfs/dbraw/zinc/68/22/19/687682219.db2.gz GFRRHPJFZUQSKK-CVEARBPZSA-N 2 1 305.466 2.018 20 30 DEEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016824765 687710571 /nfs/dbraw/zinc/71/05/71/687710571.db2.gz DXEDTZNMODBUND-DLBZAZTESA-N 2 1 319.493 2.265 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018051885 688039076 /nfs/dbraw/zinc/03/90/76/688039076.db2.gz KWCLUIXEVSSPRE-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051885 688039084 /nfs/dbraw/zinc/03/90/84/688039084.db2.gz KWCLUIXEVSSPRE-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051885 688039089 /nfs/dbraw/zinc/03/90/89/688039089.db2.gz KWCLUIXEVSSPRE-ZJPYXAASSA-N 2 1 317.477 2.255 20 30 DEEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176528 688072002 /nfs/dbraw/zinc/07/20/02/688072002.db2.gz KSUNPPKTECXILA-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176528 688072005 /nfs/dbraw/zinc/07/20/05/688072005.db2.gz KSUNPPKTECXILA-TVFCKZIOSA-N 2 1 319.493 2.358 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001020238851 688489107 /nfs/dbraw/zinc/48/91/07/688489107.db2.gz FRBHCKUDNNPLSX-RBSFLKMASA-N 2 1 313.873 2.239 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001200 688549233 /nfs/dbraw/zinc/54/92/33/688549233.db2.gz RIMYNCDASGDFII-INIZCTEOSA-N 2 1 315.461 2.376 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153501 689406695 /nfs/dbraw/zinc/40/66/95/689406695.db2.gz VSCKJXPRBDFMKY-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153501 689406698 /nfs/dbraw/zinc/40/66/98/689406698.db2.gz VSCKJXPRBDFMKY-CVEARBPZSA-N 2 1 316.449 2.259 20 30 DEEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223694 689430029 /nfs/dbraw/zinc/43/00/29/689430029.db2.gz TVTZVYYKIYRXCU-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223694 689430031 /nfs/dbraw/zinc/43/00/31/689430031.db2.gz TVTZVYYKIYRXCU-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223694 689430033 /nfs/dbraw/zinc/43/00/33/689430033.db2.gz TVTZVYYKIYRXCU-IRXDYDNUSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033294639 689451901 /nfs/dbraw/zinc/45/19/01/689451901.db2.gz CFBGFMPPIWIJQE-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366536 689479116 /nfs/dbraw/zinc/47/91/16/689479116.db2.gz SHADCHKUBOLNCY-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366536 689479118 /nfs/dbraw/zinc/47/91/18/689479118.db2.gz SHADCHKUBOLNCY-OAHLLOKOSA-N 2 1 305.422 2.064 20 30 DEEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033573018 689547514 /nfs/dbraw/zinc/54/75/14/689547514.db2.gz CSSOWXZPBMFUSE-SFHVURJKSA-N 2 1 319.493 2.217 20 30 DEEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932920 689666465 /nfs/dbraw/zinc/66/64/65/689666465.db2.gz UMJXRGAPKGFYCY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932920 689666468 /nfs/dbraw/zinc/66/64/68/689666468.db2.gz UMJXRGAPKGFYCY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033932920 689666469 /nfs/dbraw/zinc/66/64/69/689666469.db2.gz UMJXRGAPKGFYCY-SJORKVTESA-N 2 1 307.482 2.217 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033937989 689667890 /nfs/dbraw/zinc/66/78/90/689667890.db2.gz RJPHTXZSEWQQBT-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033937989 689667892 /nfs/dbraw/zinc/66/78/92/689667892.db2.gz RJPHTXZSEWQQBT-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033937989 689667893 /nfs/dbraw/zinc/66/78/93/689667893.db2.gz RJPHTXZSEWQQBT-ULQDDVLXSA-N 2 1 307.482 2.216 20 30 DEEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538244 689890980 /nfs/dbraw/zinc/89/09/80/689890980.db2.gz KBZWERBIDWVKDA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538244 689890984 /nfs/dbraw/zinc/89/09/84/689890984.db2.gz KBZWERBIDWVKDA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538244 689890985 /nfs/dbraw/zinc/89/09/85/689890985.db2.gz KBZWERBIDWVKDA-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000876776061 689934530 /nfs/dbraw/zinc/93/45/30/689934530.db2.gz DRYBXPBHDGMTQK-IMJJTQAJSA-N 2 1 321.852 2.236 20 30 DEEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000876778981 689935183 /nfs/dbraw/zinc/93/51/83/689935183.db2.gz UBDMHHHTKFYENS-HOCLYGCPSA-N 2 1 323.868 2.483 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034735690 689936862 /nfs/dbraw/zinc/93/68/62/689936862.db2.gz MBLIJQPQWKFUJM-KKUMJFAQSA-N 2 1 313.873 2.240 20 30 DEEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034735692 689937246 /nfs/dbraw/zinc/93/72/46/689937246.db2.gz MBLIJQPQWKFUJM-RBSFLKMASA-N 2 1 313.873 2.240 20 30 DEEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877046204 690006404 /nfs/dbraw/zinc/00/64/04/690006404.db2.gz IVZLJPGZHHRBMO-UHFFFAOYSA-N 2 1 316.445 2.024 20 30 DEEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000877221489 690049319 /nfs/dbraw/zinc/04/93/19/690049319.db2.gz PUCNOKGUDUIUDJ-HZPDHXFCSA-N 2 1 321.852 2.155 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036736272 690452073 /nfs/dbraw/zinc/45/20/73/690452073.db2.gz XNJMRPISLXHTQG-IAGOWNOFSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759751 690461851 /nfs/dbraw/zinc/46/18/51/690461851.db2.gz QBUUGULORGKCKH-DLBZAZTESA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762300 690463381 /nfs/dbraw/zinc/46/33/81/690463381.db2.gz IDPRIXVVOLNQSK-NVXWUHKLSA-N 2 1 310.401 2.057 20 30 DEEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773321 690469797 /nfs/dbraw/zinc/46/97/97/690469797.db2.gz LEFTZPRAMGNXAK-QAPCUYQASA-N 2 1 324.428 2.447 20 30 DEEDMP C#CC[C@H]1CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000878762012 690493840 /nfs/dbraw/zinc/49/38/40/690493840.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762012 690493842 /nfs/dbraw/zinc/49/38/42/690493842.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878762012 690493844 /nfs/dbraw/zinc/49/38/44/690493844.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878762012 690493845 /nfs/dbraw/zinc/49/38/45/690493845.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 1 312.457 2.359 20 30 DEEDMP C#CC[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878762012 690493847 /nfs/dbraw/zinc/49/38/47/690493847.db2.gz VRNFNWZVKZBONS-AZUAARDMSA-N 2 1 312.457 2.359 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038701029 690901394 /nfs/dbraw/zinc/90/13/94/690901394.db2.gz UTSIUASWDWTGPD-SFHVURJKSA-N 2 1 315.461 2.171 20 30 DEEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380416 691239170 /nfs/dbraw/zinc/23/91/70/691239170.db2.gz QVVVNNDOENQHAS-AEFFLSMTSA-N 2 1 307.482 2.073 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381465 691239812 /nfs/dbraw/zinc/23/98/12/691239812.db2.gz XHMXGFNDGYNCNT-IEBWSBKVSA-N 2 1 321.509 2.463 20 30 DEEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492404 691255501 /nfs/dbraw/zinc/25/55/01/691255501.db2.gz AGOKTNLFFDEOHE-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492404 691255505 /nfs/dbraw/zinc/25/55/05/691255505.db2.gz AGOKTNLFFDEOHE-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492404 691255508 /nfs/dbraw/zinc/25/55/08/691255508.db2.gz AGOKTNLFFDEOHE-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040846541 691292983 /nfs/dbraw/zinc/29/29/83/691292983.db2.gz FJUKAHCJISQNSE-UHFFFAOYSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040946917 691299666 /nfs/dbraw/zinc/29/96/66/691299666.db2.gz KBXSFFWQJWPGJV-KRWDZBQOSA-N 2 1 319.493 2.361 20 30 DEEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041275609 691354879 /nfs/dbraw/zinc/35/48/79/691354879.db2.gz GBJQCGNZBIJDBT-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275609 691354880 /nfs/dbraw/zinc/35/48/80/691354880.db2.gz GBJQCGNZBIJDBT-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041275609 691354881 /nfs/dbraw/zinc/35/48/81/691354881.db2.gz GBJQCGNZBIJDBT-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440406 691375796 /nfs/dbraw/zinc/37/57/96/691375796.db2.gz MLBLUYUXGUCISA-GOSISDBHSA-N 2 1 317.477 2.115 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041588899 691398273 /nfs/dbraw/zinc/39/82/73/691398273.db2.gz ZVFYLEUYSBESJN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588899 691398276 /nfs/dbraw/zinc/39/82/76/691398276.db2.gz ZVFYLEUYSBESJN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041588899 691398277 /nfs/dbraw/zinc/39/82/77/691398277.db2.gz ZVFYLEUYSBESJN-IEBWSBKVSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723558 691417579 /nfs/dbraw/zinc/41/75/79/691417579.db2.gz IVSFNQNVZCNQDC-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723558 691417580 /nfs/dbraw/zinc/41/75/80/691417580.db2.gz IVSFNQNVZCNQDC-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723558 691417581 /nfs/dbraw/zinc/41/75/81/691417581.db2.gz IVSFNQNVZCNQDC-IEBWSBKVSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757566 691425015 /nfs/dbraw/zinc/42/50/15/691425015.db2.gz YVXNMXFLUSNZPH-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757450 691425125 /nfs/dbraw/zinc/42/51/25/691425125.db2.gz WBPDCIWMBAVYGC-LJQANCHMSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785583 691429951 /nfs/dbraw/zinc/42/99/51/691429951.db2.gz ITEDIYYUPAUIAU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785583 691429952 /nfs/dbraw/zinc/42/99/52/691429952.db2.gz ITEDIYYUPAUIAU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785583 691429954 /nfs/dbraw/zinc/42/99/54/691429954.db2.gz ITEDIYYUPAUIAU-PKOBYXMFSA-N 2 1 319.493 2.219 20 30 DEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000883131214 691435955 /nfs/dbraw/zinc/43/59/55/691435955.db2.gz OZHPDUSWMPBUIH-UHFFFAOYSA-N 2 1 310.445 2.440 20 30 DEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000883131214 691435958 /nfs/dbraw/zinc/43/59/58/691435958.db2.gz OZHPDUSWMPBUIH-UHFFFAOYSA-N 2 1 310.445 2.440 20 30 DEEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297556 691560456 /nfs/dbraw/zinc/56/04/56/691560456.db2.gz QMBFOCHVOCYZQS-WMZOPIPTSA-N 2 1 319.493 2.216 20 30 DEEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045948170 692060580 /nfs/dbraw/zinc/06/05/80/692060580.db2.gz WUIWMRGPVLUWPL-IEBWSBKVSA-N 2 1 319.493 2.055 20 30 DEEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045967513 692064534 /nfs/dbraw/zinc/06/45/34/692064534.db2.gz WNXIEECKCFQVDA-WMZOPIPTSA-N 2 1 307.482 2.217 20 30 DEEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046851812 692316427 /nfs/dbraw/zinc/31/64/27/692316427.db2.gz IZHIHHVEOYSHQB-GOSISDBHSA-N 2 1 301.434 2.128 20 30 DEEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097708 692764299 /nfs/dbraw/zinc/76/42/99/692764299.db2.gz PMIBRDJUSRXPIZ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097708 692764301 /nfs/dbraw/zinc/76/43/01/692764301.db2.gz PMIBRDJUSRXPIZ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097708 692764303 /nfs/dbraw/zinc/76/43/03/692764303.db2.gz PMIBRDJUSRXPIZ-FGTMMUONSA-N 2 1 319.493 2.216 20 30 DEEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535234 692914786 /nfs/dbraw/zinc/91/47/86/692914786.db2.gz ZGXFRJNHUXBAJC-BBWFWOEESA-N 2 1 307.482 2.214 20 30 DEEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049545799 692917572 /nfs/dbraw/zinc/91/75/72/692917572.db2.gz MVEBFTRDMAIPNF-IRXDYDNUSA-N 2 1 317.477 2.114 20 30 DEEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049663286 692958581 /nfs/dbraw/zinc/95/85/81/692958581.db2.gz LUDMUOARTMAGIH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663286 692958583 /nfs/dbraw/zinc/95/85/83/692958583.db2.gz LUDMUOARTMAGIH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663286 692958585 /nfs/dbraw/zinc/95/85/85/692958585.db2.gz LUDMUOARTMAGIH-FGTMMUONSA-N 2 1 319.493 2.360 20 30 DEEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806912 693006828 /nfs/dbraw/zinc/00/68/28/693006828.db2.gz PPEDWVDDNCZUSN-ROUUACIJSA-N 2 1 319.493 2.360 20 30 DEEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050062230 693096814 /nfs/dbraw/zinc/09/68/14/693096814.db2.gz KPNYCALVAFDZHZ-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062230 693096819 /nfs/dbraw/zinc/09/68/19/693096819.db2.gz KPNYCALVAFDZHZ-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050062230 693096823 /nfs/dbraw/zinc/09/68/23/693096823.db2.gz KPNYCALVAFDZHZ-OKZBNKHCSA-N 2 1 319.493 2.073 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439354 693535181 /nfs/dbraw/zinc/53/51/81/693535181.db2.gz LLCPTYRWNWIBQT-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439354 693535183 /nfs/dbraw/zinc/53/51/83/693535183.db2.gz LLCPTYRWNWIBQT-HOTGVXAUSA-N 2 1 316.449 2.307 20 30 DEEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516816 693555040 /nfs/dbraw/zinc/55/50/40/693555040.db2.gz RPZWLBRUDLPTJC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516816 693555044 /nfs/dbraw/zinc/55/50/44/693555044.db2.gz RPZWLBRUDLPTJC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516816 693555048 /nfs/dbraw/zinc/55/50/48/693555048.db2.gz RPZWLBRUDLPTJC-IAGOWNOFSA-N 2 1 307.482 2.264 20 30 DEEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052528653 693559297 /nfs/dbraw/zinc/55/92/97/693559297.db2.gz NQQQKMKDQQWZLR-INIZCTEOSA-N 2 1 312.417 2.495 20 30 DEEDMP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001052713507 693602435 /nfs/dbraw/zinc/60/24/35/693602435.db2.gz YOJKSHDRJDBAFN-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052713507 693602443 /nfs/dbraw/zinc/60/24/43/693602443.db2.gz YOJKSHDRJDBAFN-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001052713507 693602447 /nfs/dbraw/zinc/60/24/47/693602447.db2.gz YOJKSHDRJDBAFN-HUUCEWRRSA-N 2 1 313.873 2.194 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767882 693616433 /nfs/dbraw/zinc/61/64/33/693616433.db2.gz ZKBNUAGZHANDKI-KRWDZBQOSA-N 2 1 307.482 2.265 20 30 DEEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956281 693656725 /nfs/dbraw/zinc/65/67/25/693656725.db2.gz RGUUWOSDMNFVEX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956281 693656727 /nfs/dbraw/zinc/65/67/27/693656727.db2.gz RGUUWOSDMNFVEX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956281 693656728 /nfs/dbraw/zinc/65/67/28/693656728.db2.gz RGUUWOSDMNFVEX-IAGOWNOFSA-N 2 1 307.482 2.408 20 30 DEEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053051547 693677560 /nfs/dbraw/zinc/67/75/60/693677560.db2.gz NSCBEHIPDRWFMO-QZTJIDSGSA-N 2 1 319.493 2.219 20 30 DEEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108479 693690854 /nfs/dbraw/zinc/69/08/54/693690854.db2.gz UTBCFHIVOZVPHR-ZWKOTPCHSA-N 2 1 319.493 2.361 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001402416061 1162349004 /nfs/dbraw/zinc/34/90/04/1162349004.db2.gz JHGUJDDOJLPVSQ-DZGCQCFKSA-N 2 1 315.889 2.155 20 30 DEEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001343429496 1150741583 /nfs/dbraw/zinc/74/15/83/1150741583.db2.gz AVMISQZOAFKBRS-WBVHZDCISA-N 2 1 303.450 2.307 20 30 DEEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC001346251652 1150959043 /nfs/dbraw/zinc/95/90/43/1150959043.db2.gz NTOYIZQOYGEHHO-GOSISDBHSA-N 2 1 320.864 2.321 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001382020040 1153320951 /nfs/dbraw/zinc/32/09/51/1153320951.db2.gz QXUARNGBLDGYAH-OAHLLOKOSA-N 2 1 313.873 2.050 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001401239681 1161901890 /nfs/dbraw/zinc/90/18/90/1161901890.db2.gz NNNTXSMHWZNMBK-LSDHHAIUSA-N 2 1 315.889 2.297 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401279407 1161913779 /nfs/dbraw/zinc/91/37/79/1161913779.db2.gz DLEUVSZQJOZSAH-CABCVRRESA-N 2 1 315.889 2.344 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001402064271 1162234014 /nfs/dbraw/zinc/23/40/14/1162234014.db2.gz ZGPGNYPXLQZBJY-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP C=C(Cl)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001406186454 1164498637 /nfs/dbraw/zinc/49/86/37/1164498637.db2.gz OKWVTQJVNULJKH-GJZGRUSLSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001406186454 1164498641 /nfs/dbraw/zinc/49/86/41/1164498641.db2.gz OKWVTQJVNULJKH-GJZGRUSLSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001406186454 1164498644 /nfs/dbraw/zinc/49/86/44/1164498644.db2.gz OKWVTQJVNULJKH-GJZGRUSLSA-N 2 1 313.873 2.002 20 30 DEEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001417896871 1167290651 /nfs/dbraw/zinc/29/06/51/1167290651.db2.gz UCRGSMBVJSVFFY-UHFFFAOYSA-N 2 1 313.873 2.146 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001423017145 1173018287 /nfs/dbraw/zinc/01/82/87/1173018287.db2.gz WOJPSFOYJRZNRO-HUUCEWRRSA-N 2 1 313.873 2.098 20 30 DEEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001426236594 1174664630 /nfs/dbraw/zinc/66/46/30/1174664630.db2.gz YXPSLAGIDHAJRP-UHFFFAOYSA-N 2 1 324.856 2.303 20 30 DEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001437333684 1179731007 /nfs/dbraw/zinc/73/10/07/1179731007.db2.gz QBVIWGJXBUFXQQ-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001437383301 1179775928 /nfs/dbraw/zinc/77/59/28/1179775928.db2.gz YHKXTNXSEVXZKT-ZIAGYGMSSA-N 2 1 301.862 2.098 20 30 DEEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001437766105 1179965177 /nfs/dbraw/zinc/96/51/77/1179965177.db2.gz FVANQCFBLKAAAJ-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001437766105 1179965186 /nfs/dbraw/zinc/96/51/86/1179965186.db2.gz FVANQCFBLKAAAJ-GJZGRUSLSA-N 2 1 315.889 2.440 20 30 DEEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001438004798 1180154359 /nfs/dbraw/zinc/15/43/59/1180154359.db2.gz KBQSSHBSUKDWBM-UHFFFAOYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001438004798 1180154364 /nfs/dbraw/zinc/15/43/64/1180154364.db2.gz KBQSSHBSUKDWBM-UHFFFAOYSA-N 2 1 315.889 2.250 20 30 DEEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001438699136 1180772816 /nfs/dbraw/zinc/77/28/16/1180772816.db2.gz YDEULYXWMYXCHV-HUUCEWRRSA-N 2 1 315.889 2.438 20 30 DEEDMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001441034034 1181831894 /nfs/dbraw/zinc/83/18/94/1181831894.db2.gz KBCUHHBLNZLRJY-ZIAGYGMSSA-N 2 1 301.862 2.050 20 30 DEEDMP